Author: "U. von Toussaint" - Searchworks@Jio Institute Digital Library Search Results

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117 results on '"U. von Toussaint"'

1. Towards variance-conserving reconstructions of climate indices with Gaussian process regression in an embedding space

Author: M. Klockmann, U. von Toussaint, and E. Zorita
Subjects: Geology, QE1-996.5
Abstract: We present a new framework for the reconstruction of climate indices based on proxy data such as tree rings. The framework is based on the supervised learning method Gaussian Process Regression (GPR) and aims at preserving the amplitude of past climate variability. It can adequately handle noise-contaminated proxies and variable proxy availability over time. To this end, the GPR is formulated in a modified input space, termed here embedding space. We test the new framework for the reconstruction of the Atlantic multi-decadal variability (AMV) in a controlled environment with pseudo-proxies derived from coupled climate-model simulations. In this test environment, the GPR outperforms benchmark reconstructions based on multi-linear principal component regression. On AMV-relevant timescales, i.e. multi-decadal, the GPR is able to reconstruct the true amplitude of variability even if the proxies contain a realistic non-climatic noise signal and become sparser back in time. Thus, we conclude that the embedded GPR framework is a highly promising tool for climate-index reconstructions.
Published: 2024
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2. Visualizing spatially inhomogeneous hydrogen isotope diffusion by hydrogenography

Author: A. Manhard, U. von Toussaint, P. Sand, and M. Stienecker
Subjects: Tungsten, Tungsten heavy alloy, Hydrogen isotopes, Diffusion, Permeation, Grain boundaries, Nuclear engineering. Atomic power, TK9001-9401
Abstract: We developed a novel, recently patented application of hydrogenography, i.e., the change of the optical properties of certain indicator materials (e.g., yttrium) when these are charged with hydrogen isotopes. By applying patterned, discontinuous yttrium films to the back side of permeation samples, we circumvented the issue that the hydrogen isotopes could also diffuse laterally within the yttrium film, which might blur or even prevent detection of laterally inhomogeneous diffusion effects through the actual sample. Thus, we were able to directly visualize the preferential permeation of deuterium along grain boundaries in recrystallized tungsten foils exposed to a low-temperature deuterium plasma. Similarly, we were able to show that permeation of deuterium focuses on the percolating Fe–Ni matrix phase of the tungsten heavy alloy HPM 1850. These findings give a strong incentive to assess whether 1-D diffusion simulations, which implicitly assume lateral homogeneity, are generally sufficient to accurately describe H isotope diffusion in fusion reactor materials. At least under certain conditions, an approach considering the effects of internal 3-D structures of the materials – like those described here – may be necessary.
Published: 2023
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3. Angle-dependent sputter yield measurements of keV D ions on W and Fe and comparison with SDTrimSP and SDTrimSP-3D

Author: R. Arredondo, M. Oberkofler, T. Schwarz-Selinger, U. von Toussaint, V.V. Burwitz, A. Mutzke, E. Vassallo, and M. Pedroni
Subjects: Nuclear engineering. Atomic power, TK9001-9401
Abstract: The influence of surface roughness on the sputter yield was investigated as a function of the angle of incidence. In this work, nm-smooth and rough samples with roughnesses on the µm length scale were produced by depositing thin Fe and W films on smooth and rough Si substrates via magnetron sputtering. The surface morphology of the samples was determined by atomic force microscopy. The samples were exposed to a 6 keV D3+ ion beam (2 keV/D) under various angles of incidence ranging from 0° to 75° with respect to the surface normal to fluences of the order of 1022 D/m2. The layer thickness was measured by Rutherford backscattering spectrometry (RBS) before and after erosion. The resulting sputter yields were compared to simulations performed with SDTrimSP (static and dynamic) and SDTrimSP-3D (static), showing good qualitative agreement in all cases, as well as agreement with literature data at normal incidence. This constitutes the first experimental benchmark of SDTrimSP-3D. A discrepancy in the value of the sputter yield for smooth W at normal incidence was observed between the SDTrimSP simulations and the experimental values obtained in this work and found in literature. Analogous experiments were performed to study the sputter yield at normal incidence of 2 keV/D on smooth Au and 6 keV He on smooth W. These sputter yields were also compared to SDTrimSP simulations and literature, showing good agreement in all cases. Keywords: Sputtering, SDTrimSP, Roughness
Published: 2019
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4. Study of the temperature-dependent nitrogen retention in tungsten surfaces using X-ray photoelectron spectroscopy

Author: U. Plank, G. Meisl, U. von Toussaint, T. Höschen, and W. Jacob
Subjects: Nuclear engineering. Atomic power, TK9001-9401
Abstract: Nitrogen is foreseen as seeding species in future magnetic confinement fusion reactors in order to reduce the power load from the plasma onto the divertor target tiles by radiative cooling. As a side effect it also gets implanted into the tungsten wall and forms tungsten nitrides (WxN). The temperature-dependent WxN formation was investigated in dedicated laboratory experiments. N ions of 300 eV kinetic energy were implanted into W samples under ultra-high vacuum conditions in the temperature range 300 K to 800 K. The N retention in W was monitored and quantitatively analysed by X-ray photoelectron spectroscopy (XPS). A method to calculate the statistical error of the measured data based on Bayesian statistics was developed. Argon sputter depth profiling was combined with XPS to measure N in W depth profiles which were compared with simulated N implantation profiles. Annealing of samples implanted with N at 300 K does not cause a loss of N up to 800 K. However, the retained N amount decreases linearly with increasing implantation temperature. It was found that this reduction is due to ion-irradiation-induced N release at elevated temperatures. Over the whole temperature range N diffusion into depth was not observed. N accumulation measurements showed no evidence for a phase transition in the WxN layer. However, high resolution XPS measurements revealed that below 600 K a second photoelectron peak occurs in the N 1s signal which can be attributed to different local atomic arrangements of WxN. Keywords: Plasma-wall interaction, Tungsten nitride, XPS quantification, Bayesian statistics, Sputter depth profiling, SDTrimSp, Ion-induced atom mobilisation, PACS: 28.52.Fa, 52.40.Hf, 79.20.Rf, 79.60.Dp
Published: 2018
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5. Impact of surface enrichment and morphology on sputtering of EUROFER by deuterium

Author: R. Arredondo, M. Balden, A. Mutzke, U. von Toussaint, S. Elgeti, T. Höschen, K. Schlueter, M. Mayer, M. Oberkofler, and W. Jacob
Subjects: Sputtering, EUROFER, RAFM, SDTrimSP, Roughness, SDTrimSP-3D, SEM, Nuclear engineering. Atomic power, TK9001-9401
Abstract: EUROFER is a Reduced Activation Ferritic Martensitic (RAFM) steel developed as structural material for future fusion power plants and is considered as first-wall material in recessed areas of DEMO. Recent work has shown a fluence-dependent decrease of the sputter yield for bombardment with deuterium ions in the energy range of 100 to about 500 eV. This decrease was previously attributed to preferential sputtering of the lower mass constituents in EUROFER, such as Fe and Cr, compared to the higher mass alloying elements. This leads to an increase of the surface tungsten concentration. However, it was also observed that, after sputtering, the samples had developed a very rough surface morphology. In this work, the combined influence of surface roughness and W surface enrichment on the sputter yield of EUROFER under bombardment with 200 eV deuterium ions was studied. The influence of surface roughness was determined with the aid of Scanning Electron Microscopy (SEM) and SDTrimSP-3D simulations. W surface enrichment was investigated applying sputter X-Ray Photoelectron Spectroscopy (XPS) depth-profiling and Rutherford backscattering spectrometry (RBS). After bombardment to a fluence of 1024 D m−2 (at 200 eV per deuterium) a reduction of the sputter yield to 29% ± 5% of the initial value was measured by weight-loss measurements. This reduction is in good agreement with published values. Two distinct surface morphologies, consisting of smooth and spiked surfaces, were observed on the EUROFER sample after sputtering. Based on the experimental results, the combined effect of the two factors, surface roughness and W surface enrichment, is estimated to be responsible for a reduction in the sputter yield to 27% ± 4% of the initial value, which is in excellent agreement with the measured value. Our assessment shows that both surface morphology and W surface enrichment contribute significantly to the reduction of the sputter yield of EUROFER under the given experimental conditions, and are sufficient to fully explain the experimentally observed reduction in the sputter yield.
Published: 2020
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6. Beryllium film deposition in cavity samples in remote areas of the JET divertor during the 2011–2012 ITER-like wall campaign

Author: S. Krat, M. Mayer, U. von Toussaint, P. Coad, A. Widdowson, Yu. Gasparyan, and A. Pisarev
Subjects: Nuclear engineering. Atomic power, TK9001-9401
Abstract: Beryllium film deposition was studied with cavity samples in remote areas of the inner and outer JET divertor and below divertor tile 5 during the 2011–2012 campaign with the ITER-like wall. Predominantly beryllium films were formed inside the cavities with some additional carbon, the ratio Be/C was >2. These deposited layers had high D/(Be+C) ratios of about 0.3. The formation of these films is mainly due to sticking of beryllium-containing particles with low sticking coefficients
Published: 2017
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7. Microstructure and defect analysis in the vicinity of blisters in polycrystalline tungsten

Author: A. Manhard, U. von Toussaint, M. Balden, S. Elgeti, T. Schwarz-Selinger, L. Gao, S. Kapser, T. Płociński, J. Grzonka, M. Gloc, and Ł. Ciupiński
Subjects: Nuclear engineering. Atomic power, TK9001-9401
Abstract: Up to now, analyzing the production of dislocation-type defects in the subsurface region of plasma or ion-exposed tungsten samples has been hampered by the challenging production of suitable cross-section samples for transmission electron microscopy. We present two reliable methods based on precision electropolishing to prepare cross-sections of tungsten that allow direct imaging of dislocation-type defects by scanning as well as by transmission electron microscopy. Using these methods, we are able to demonstrate a clear enhancement of the dislocation density in the caps of blisters on tungsten exposed to H isotope plasma, i.e., of surface morphologies that are correlated to subsurface cavities. As a benchmark, we also show a cross-section of tungsten irradiated by 20 MeV W6+ ions. Keywords: Tungsten, Plasma, Blistering, Cross-section, Electropolishing, Dislocations
Published: 2017
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8. Fluence dependent changes of erosion yields and surface morphology of the iron-tungsten model system: SDTrimSP-2D simulation studies

Author: U. von Toussaint and A. Mutzke
Subjects: Nuclear engineering. Atomic power, TK9001-9401
Abstract: The effect of different sample structures of an iron-tungsten model system (as a surrogate for reduced activation ferritic martensitic steels like EUROFER) on the development of surface morphologies, tungsten surface enrichment and sputter yields under low-energy monoenergetic perpendicular 200 eV deuterium bombardment has been studied with SDTrimSP-2d simulations. Previous modeling studies considering diffusive effects also could reasonably reproduce and explain the experimental results for a large set of experimental parameters like temperature, flux and sample concentration. However, for settings with negligible Fe-W-interdiffusion the fluence needed for steady-state conditions differed between the experiments and the simulations. Thus, the main focus of the present study is directed towards the elucidation of this fluence mismatch. Comparison of one and two-dimensional simulation results reveal a strong dependency of the tungsten enrichment on the sample homogeneity and a significantly delayed reduction of the erosion yield due to a pronounced formation of surface structures from initially flat sample surfaces. Keywords: Fusion, Plasma-facing materials, Sputter yield, First wall, Monte Carlo simulations, Surface enrichment, TRIM
Published: 2017
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9. Non-parametric inference of impurity transport coefficients in the ASDEX Upgrade tokamak

Author: T. Nishizawa, R. Dux, R.M. McDermott, F. Sciortino, M. Cavedon, C. Schuster, E. Wolfrum, U. von Toussaint, A.Jansen Van Vuuren, D.J. Cruz-Zabala, P. Cano-Megias, C. Moon, null the ASDEX Upgrade Team, European Commission, ASDEX Upgrade Team, Max Planck Institute for Plasma Physics, Max Planck Society, Nishizawa, T, Dux, R, Mcdermott, R, Sciortino, F, Cavedon, M, Schuster, C, Wolfrum, E, Von Toussaint, U, Van Vuuren, A, Cruz-Zabala, D, Cano-Megias, P, Moon, C, Universidad de Sevilla. Departamento de Ingeniería Energética, Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear, and Universidad de Sevilla. FQM402: Ciencias y Tecnologías del Plasma y el Espacio
Subjects: Nuclear and High Energy Physics, Charge exchange recombination spectroscopy, Bayesian inference, Paper, tokamak, impurity, charge exchange recombination spectroscopy, Condensed Matter Physics, Impurity, Tokamaks, ddc
Abstract: We present a non-parametric inference of impurity transport coefficients by using charge exchange recombination spectroscopy measurements of Ne X, Ne VIII, O VIII, and C VI lines. Due to their close atomic numbers, neon, oxygen and carbon impurity ions are assumed to have the same diffusion coefficient D and convection velocity v. Unlike conventional techniques that modulate or perturb the impurity contents, we employ a quasi-stationary plasma with static impurity profiles. Since the ratio of v to D only describes the equilibrated profile of the sum of all impurity charge states, steady-state measurements can still decouple D and v if different charge states are simultaneously observed. We have formulated a non-parametric analysis framework based on the Bayesian probability theory and conducted transport coefficient measurements for a Type III ELMy H-mode plasma at ASDEX Upgrade. The charge exchange reactions with the background neutrals, which are known to affect the impurity charge state balance, are taken into account by introducing additional free parameters. While D at the pedestal is close to the neoclassical level ( < 1 m s-2), a large diffusion coefficient and a strong outward convection are inferred right inside the pedestal top., This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014–2018 and 2019–2020 under Grant Agreement No. 633053.
Published: 2022

10. Simulation of the evolution of rough surfaces by sputtering using the binary collision approximation

Author: M. Wagner, M. Mayer, U. von Toussaint, and A. Mutzke
Subjects: Nuclear and High Energy Physics, Radiation, General Materials Science, Condensed Matter Physics
Published: 2022

11. Progress from ASDEX Upgrade experiments in preparing the physics basis of ITER operation and DEMO scenario development

Author: U. Stroth, D. Aguiam, E. Alessi, C. Angioni, N. Arden, R. Arredondo Parra, V. Artigues, O. Asunta, M. Balden, V. Bandaru, A. Banon-Navarro, K. Behler, A. Bergmann, M. Bergmann, J. Bernardo, M. Bernert, A. Biancalani, R. Bielajew, R. Bilato, G. Birkenmeier, T. Blanken, V. Bobkov, A. Bock, T. Body, T. Bolzonella, N. Bonanomi, A. Bortolon, B. Böswirth, C. Bottereau, A. Bottino, H. van den Brand, M. Brenzke, S. Brezinsek, D. Brida, F. Brochard, C. Bruhn, J. Buchanan, A. Buhler, A. Burckhart, Y. Camenen, B. Cannas, P. Cano Megias, D. Carlton, M. Carr, P. Carvalho, C. Castaldo, M. Cavedon, C. Cazzaniga, C. Challis, A. Chankin, C. Cianfarani, F. Clairet, S. Coda, R. Coelho, J.W. Coenen, L. Colas, G. Conway, S. Costea, D. Coster, T. Cote, A.J. Creely, G. Croci, D.J. Cruz Zabala, G. Cseh, A. Czarnecka, I. Cziegler, O. D’Arcangelo, A. Dal Molin, P. David, C. Day, M. de Baar, P. de Marné, R. Delogu, S. Denk, P. Denner, A. Di Siena, J.J. Dominguez Palacios Durán, D. Dunai, A. Drenik, M. Dreval, R. Drube, M. Dunne, B.P. Duval, R. Dux, T. Eich, S. Elgeti, A. Encheva, K. Engelhardt, B. Erdös, I. Erofeev, B. Esposito, E. Fable, M. Faitsch, U. Fantz, M. Farnik, H. Faugel, F. Felici, O. Ficker, S. Fietz, A. Figueredo, R. Fischer, O. Ford, L. Frassinetti, M. Fröschle, G. Fuchert, J.C. Fuchs, H. Fünfgelder, S. Futatani, K. Galazka, J. Galdon-Quiroga, D. Gallart Escolà, A. Gallo, Y. Gao, S. Garavaglia, M. Garcia Muñoz, B. Geiger, L. Giannone, S. Gibson, L. Gil, E. Giovannozzi, S. Glöggler, M. Gobbin, J. Gonzalez Martin, T. Goodman, G. Gorini, T. Görler, D. Gradic, G. Granucci, A. Gräter, H. Greuner, M. Griener, M. Groth, A. Gude, L. Guimarais, S. Günter, G. Haas, A.H. Hakola, C. Ham, T. Happel, N. den Harder, G. Harrer, J. Harrison, V. Hauer, T. Hayward-Schneider, B. Heinemann, T. Hellsten, S. Henderson, P. Hennequin, A. Herrmann, E. Heyn, F. Hitzler, J. Hobirk, K. Höfler, J.H. Holm, M. Hölzl, C. Hopf, L. Horvath, T. Höschen, A. Houben, A. Hubbard, A. Huber, K. Hunger, V. Igochine, M. Iliasova, T. Ilkei, K. Insulander Björk, C. Ionita-Schrittwieser, I. Ivanova-Stanik, W. Jacob, N. Jaksic, F. Janky, A. Jansen van Vuuren, A. Jardin, F. Jaulmes, F. Jenko, T. Jensen, E. Joffrin, A. Kallenbach, S. Kálvin, M. Kantor, A. Kappatou, O. Kardaun, J. Karhunen, C.-P. Käsemann, S. Kasilov, A. Kendl, W. Kernbichler, E. Khilkevitch, A. Kirk, S. Kjer Hansen, V. Klevarova, G. Kocsis, M. Koleva, M. Komm, M. Kong, A. Krämer-Flecken, K. Krieger, A. Krivska, O. Kudlacek, T. Kurki-Suonio, B. Kurzan, B. Labit, K. Lackner, F. Laggner, A. Lahtinen, P.T. Lang, P. Lauber, N. Leuthold, L. Li, J. Likonen, O. Linder, B. Lipschultz, Y. Liu, A. Lohs, Z. Lu, T. Luda di Cortemiglia, N.C. Luhmann, T. Lunt, A. Lyssoivan, T. Maceina, J. Madsen, A. Magnanimo, H. Maier, J. Mailloux, R. Maingi, O. Maj, E. Maljaars, P. Manas, A. Mancini, A. Manhard, P. Mantica, M. Mantsinen, P. Manz, M. Maraschek, C. Marchetto, L. Marrelli, P. Martin, A. Martitsch, F. Matos, M. Mayer, M.-L. Mayoral, D. Mazon, P.J. McCarthy, R. McDermott, R. Merkel, A. Merle, D. Meshcheriakov, H. Meyer, D. Milanesio, P. Molina Cabrera, F. Monaco, M. Muraca, F. Nabais, V. Naulin, R. Nazikian, R.D. Nem, A. Nemes-Czopf, G. Neu, R. Neu, A.H. Nielsen, S.K. Nielsen, T. Nishizawa, M. Nocente, J.-M. Noterdaeme, I. Novikau, S. Nowak, M. Oberkofler, R. Ochoukov, J. Olsen, F. Orain, F. Palermo, O. Pan, G. Papp, I. Paradela Perez, A. Pau, G. Pautasso, C. Paz-Soldan, P. Petersson, P. Piovesan, C. Piron, U. Plank, B. Plaum, B. Plöck, V. Plyusnin, G. Pokol, E. Poli, L. Porte, T. Pütterich, M. Ramisch, J. Rasmussen, G. Ratta, S. Ratynskaia, G. Raupp, D. Réfy, M. Reich, F. Reimold, D. Reiser, M. Reisner, D. Reiter, T. Ribeiro, R. Riedl, J. Riesch, D. Rittich, J.F. Rivero Rodriguez, G. Rocchi, P. Rodriguez-Fernandez, M. Rodriguez-Ramos, V. Rohde, G. Ronchi, A. Ross, M. Rott, M. Rubel, D.A. Ryan, F. Ryter, S. Saarelma, M. Salewski, A. Salmi, O. Samoylov, L. Sanchis Sanchez, J. Santos, O. Sauter, G. Schall, K. Schlüter, K. Schmid, O. Schmitz, P.A. Schneider, R. Schrittwieser, M. Schubert, C. Schuster, T. Schwarz-Selinger, J. Schweinzer, E. Seliunin, A. Shabbir, A. Shalpegin, S. Sharapov, U. Sheikh, A. Shevelev, G. Sias, M. Siccinio, B. Sieglin, A. Sigalov, A. Silva, C. Silva, D. Silvagni, J. Simpson, S. Sipilä, E. Smigelskis, A. Snicker, E. Solano, C. Sommariva, C. Sozzi, G. Spizzo, M. Spolaore, A. Stegmeir, M. Stejner, J. Stober, E. Strumberge, G. Suarez Lopez, H.-J. Sun, W. Suttrop, E. Sytova, T. Szepesi, B. Tál, T. Tala, G. Tardini, M. Tardocchi, D. Terranova, M. Teschke, E. Thorén, W. Tierens, D. Told, W. Treutterer, G. Trevisan, E. Trier, M. Tripský, M. Usoltceva, M. Valisa, M. Valovic, M. van Zeeland, F. Vannini, B. Vanovac, P. Varela, S. Varoutis, N. Vianello, J. Vicente, G. Verdoolaege, T. Vierle, E. Viezzer, I. Voitsekhovitch, U. von Toussaint, D. Wagner, X. Wang, M. Weiland, A.E. White, M. Willensdorfer, B. Wiringer, M. Wischmeier, R. Wolf, E. Wolfrum, Q. Yang, Q. Yu, R. Zagórski, I. Zammuto, T. Zehetbauer, W. Zhang, W. Zholobenko, M. Zilker, A. Zito, H. Zohm, S. Zoletnik, the EUROfusion MST1 Team, Max-Planck-Institut für Plasmaphysik [Garching] (IPP), Institut de Recherche sur la Fusion par confinement Magnétique (IRFM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Aix Marseille Université (AMU), Laboratoire de Physique des Plasmas (LPP), Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École polytechnique (X)-Sorbonne Université (SU)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), EUROfusion MST1 Team, Barcelona Supercomputing Center, Department of Applied Physics, Aalto-yliopisto, Aalto University, Stroth, U, Aguiam, D, Alessi, E, Angioni, C, Arden, N, Parra, R, Artigues, V, Asunta, O, Balden, M, Bandaru, V, Banon-Navarro, A, Behler, K, Bergmann, A, Bergmann, M, Bernardo, J, Bernert, M, Biancalani, A, Bielajew, R, Bilato, R, Birkenmeier, G, Blanken, T, Bobkov, V, Bock, A, Body, T, Bolzonella, T, Bonanomi, N, Bortolon, A, Boswirth, B, Bottereau, C, Bottino, A, Van Den Brand, H, Brenzke, M, Brezinsek, S, Brida, D, Brochard, F, Bruhn, C, Buchanan, J, Buhler, A, Burckhart, A, Camenen, Y, Cannas, B, Megias, P, Carlton, D, Carr, M, Carvalho, P, Castaldo, C, Cavedon, M, Cazzaniga, C, Challis, C, Chankin, A, Cianfarani, C, Clairet, F, Coda, S, Coelho, R, Coenen, J, Colas, L, Conway, G, Costea, S, Coster, D, Cote, T, Creely, A, Croci, G, Zabala, D, Cseh, G, Czarnecka, A, Cziegler, I, D'Arcangelo, O, Molin, A, David, P, Day, C, De Baar, M, De Marne, P, Delogu, R, Denk, S, Denner, P, Di Siena, A, Palacios Duran, J, Dunai, D, Drenik, A, Dreval, M, Drube, R, Dunne, M, Duval, B, Dux, R, Eich, T, Elgeti, S, Encheva, A, Engelhardt, K, Erdos, B, Erofeev, I, Esposito, B, Fable, E, Faitsch, M, Fantz, U, Farnik, M, Faugel, H, Felici, F, Ficker, O, Fietz, S, Figueredo, A, Fischer, R, Ford, O, Frassinetti, L, Froschle, M, Fuchert, G, Fuchs, J, Funfgelder, H, Futatani, S, Galazka, K, Galdon-Quiroga, J, Escola, D, Gallo, A, Gao, Y, Garavaglia, S, Munoz, M, Geiger, B, Giannone, L, Gibson, S, Gil, L, Giovannozzi, E, Gloggler, S, Gobbin, M, Martin, J, Goodman, T, Gorini, G, Gorler, T, Gradic, D, Granucci, G, Grater, A, Greuner, H, Griener, M, Groth, M, Gude, A, Guimarais, L, Gunter, S, Haas, G, Hakola, A, Ham, C, Happel, T, Den Harder, N, Harrer, G, Harrison, J, Hauer, V, Hayward-Schneider, T, Heinemann, B, Hellsten, T, Henderson, S, Hennequin, P, Herrmann, A, Heyn, E, Hitzler, F, Hobirk, J, Hofler, K, Holm, J, Holzl, M, Hopf, C, Horvath, L, Hoschen, T, Houben, A, Hubbard, A, Huber, A, Hunger, K, Igochine, V, Iliasova, M, Ilkei, T, Bjork, K, Ionita-Schrittwieser, C, Ivanova-Stanik, I, Jacob, W, Jaksic, N, Janky, F, Jansen Van Vuuren, A, Jardin, A, Jaulmes, F, Jenko, F, Jensen, T, Joffrin, E, Kallenbach, A, Kalvin, S, Kantor, M, Kappatou, A, Kardaun, O, Karhunen, J, Kasemann, C, Kasilov, S, Kendl, A, Kernbichler, W, Khilkevitch, E, Kirk, A, Hansen, S, Klevarova, V, Kocsis, G, Koleva, M, Komm, M, Kong, M, Kramer-Flecken, A, Krieger, K, Krivska, A, Kudlacek, O, Kurki-Suonio, T, Kurzan, B, Labit, B, Lackner, K, Laggner, F, Lahtinen, A, Lang, P, Lauber, P, Leuthold, N, Li, L, Likonen, J, Linder, O, Lipschultz, B, Liu, Y, Lohs, A, Lu, Z, Luda Di Cortemiglia, T, Luhmann, N, Lunt, T, Lyssoivan, A, Maceina, T, Madsen, J, Magnanimo, A, Maier, H, Mailloux, J, Maingi, R, Maj, O, Maljaars, E, Manas, P, Mancini, A, Manhard, A, Mantica, P, Mantsinen, M, Manz, P, Maraschek, M, Marchetto, C, Marrelli, L, Martin, P, Martitsch, A, Matos, F, Mayer, M, Mayoral, M, Mazon, D, Mccarthy, P, Mcdermott, R, Merkel, R, Merle, A, Meshcheriakov, D, Meyer, H, Milanesio, D, Cabrera, P, Monaco, F, Muraca, M, Nabais, F, Naulin, V, Nazikian, R, Nem, R, Nemes-Czopf, A, Neu, G, Neu, R, Nielsen, A, Nielsen, S, Nishizawa, T, Nocente, M, Noterdaeme, J, Novikau, I, Nowak, S, Oberkofler, M, Ochoukov, R, Olsen, J, Orain, F, Palermo, F, Pan, O, Papp, G, Perez, I, Pau, A, Pautasso, G, Paz-Soldan, C, Petersson, P, Piovesan, P, Piron, C, Plank, U, Plaum, B, Plock, B, Plyusnin, V, Pokol, G, Poli, E, Porte, L, Putterich, T, Ramisch, M, Rasmussen, J, Ratta, G, Ratynskaia, S, Raupp, G, Refy, D, Reich, M, Reimold, F, Reiser, D, Reisner, M, Reiter, D, Ribeiro, T, Riedl, R, Riesch, J, Rittich, D, Rodriguez, J, Rocchi, G, Rodriguez-Fernandez, P, Rodriguez-Ramos, M, Rohde, V, Ronchi, G, Ross, A, Rott, M, Rubel, M, Ryan, D, Ryter, F, Saarelma, S, Salewski, M, Salmi, A, Samoylov, O, Sanchez, L, Santos, J, Sauter, O, Schall, G, Schluter, K, Schmid, K, Schmitz, O, Schneider, P, Schrittwieser, R, Schubert, M, Schuster, C, Schwarz-Selinger, T, Schweinzer, J, Seliunin, E, Shabbir, A, Shalpegin, A, Sharapov, S, Sheikh, U, Shevelev, A, Sias, G, Siccinio, M, Sieglin, B, Sigalov, A, Silva, A, Silva, C, Silvagni, D, Simpson, J, Sipila, S, Smigelskis, E, Snicker, A, Solano, E, Sommariva, C, Sozzi, C, Spizzo, G, Spolaore, M, Stegmeir, A, Stejner, M, Stober, J, Strumberge, E, Lopez, G, Sun, H, Suttrop, W, Sytova, E, Szepesi, T, Tal, B, Tala, T, Tardini, G, Tardocchi, M, Terranova, D, Teschke, M, Thoren, E, Tierens, W, Told, D, Treutterer, W, Trevisan, G, Trier, E, Tripsky, M, Usoltceva, M, Valisa, M, Valovic, M, Van Zeeland, M, Vannini, F, Vanovac, B, Varela, P, Varoutis, S, Vianello, N, Vicente, J, Verdoolaege, G, Vierle, T, Viezzer, E, Voitsekhovitch, I, Von Toussaint, U, Wagner, D, Wang, X, Weiland, M, White, A, Willensdorfer, M, Wiringer, B, Wischmeier, M, Wolf, R, Wolfrum, E, Yang, Q, Yu, Q, Zagorski, R, Zammuto, I, Zehetbauer, T, Zhang, W, Zholobenko, W, Zilker, M, Zito, A, Zohm, H, and Zoletnik, S
Subjects: Nuclear and High Energy Physics, Asdex Upgrade, confinement, ELLM-free discharges, sol, Computer science, Nuclear engineering, ALCATOR C-MOD, UPPER DIVERTOR, ASDEX Upgrade, Physics::Plasma Physics, [PHYS.PHYS.PHYS-PLASM-PH]Physics [physics]/Physics [physics]/Plasma Physics [physics.plasm-ph], Simulació per ordinador, alcator c-mod, ddc:530, upper divertor, ELLM-free discharge, SOL, Basis (linear algebra), Physics, turbulence, transition, h-mode plasmas, Condensed Matter Physics, ddc, Informàtica::Aplicacions de la informàtica::Aplicacions informàtiques a la física i l‘enginyeria [Àrees temàtiques de la UPC], Fusion reactors, Physics and Astronomy, CONFINEMENT MODES, H-MODE PLASMAS, Physics::Space Physics, Nuclear fusion, TURBULENCE, ddc:620, confinement modes, TRANSITION
Abstract: An overview of recent results obtained at the tokamak ASDEX Upgrade (AUG) is given. A work flow for predictive profile modelling of AUG discharges was established which is able to reproduce experimental H-mode plasma profiles based on engineering parameters only. In the plasma center, theoretical predictions on plasma current redistribution by a dynamo effect were confirmed experimentally. For core transport, the stabilizing effect of fast ion distributions on turbulent transport is shown to be important to explain the core isotope effect and improves the description of hollow low-Z impurity profiles. The L–H power threshold of hydrogen plasmas is not affected by small helium admixtures and it increases continuously from the deuterium to the hydrogen level when the hydrogen concentration is raised from 0 to 100%. One focus of recent campaigns was the search for a fusion relevant integrated plasma scenario without large edge localised modes (ELMs). Results from six different ELM-free confinement regimes are compared with respect to reactor relevance: ELM suppression by magnetic perturbation coils could be attributed to toroidally asymmetric turbulent fluctuations in the vicinity of the separatrix. Stable improved confinement mode plasma phases with a detached inner divertor were obtained using a feedback control of the plasma β. The enhanced Dα H-mode regime was extended to higher heating power by feedback controlled radiative cooling with argon. The quasi-coherent exhaust regime was developed into an integrated scenario at high heating power and energy confinement, with a detached divertor and without large ELMs. Small ELMs close to the separatrix lead to peeling-ballooning stability and quasi continuous power exhaust. Helium beam density fluctuation measurements confirm that transport close to the separatrix is important to achieve the different ELM-free regimes. Based on separatrix plasma parameters and interchange-drift-Alfvén turbulence, an analytic model was derived that reproduces the experimentally found important operational boundaries of the density limit and between L- and H-mode confinement. Feedback control for the X-point radiator (XPR) position was established as an important element for divertor detachment control. Stable and detached ELM-free phases with H-mode confinement quality were obtained when the XPR was moved 10 cm above the X-point. Investigations of the plasma in the future flexible snow-flake divertor of AUG by means of first SOLPS-ITER simulations with drifts activated predict beneficial detachment properties and the activation of an additional strike point by the drifts. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014–2018 and 2019–2020 under Grant Agreement No. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Peer Reviewed "Article signat per més de 50 autors/es: U. Stroth, D. Aguiam, E. Alessi, C. Angioni, N. Arden, R. Arredondo Parra, V. Artigues, O. Asunta, M. Balden, V. Bandaru, A. Banon-Navarro, K. Behler, A. Bergmann, M. Bergmann, J. Bernardo, M. Bernert, A. Biancalani, R. Bielajew, R. Bilato, G. Birkenmeier, T. Blanken, V. Bobkov, A. Bock, T. Body, T. Bolzonella, N. Bonanomi, A. Bortolon, B. Böswirth, C. Bottereau, A. Bottino, H. van den Brand, M. Brenzke, S. Brezinsek, D. Brida, F. Brochard, C. Bruhn, J. Buchanan, A. Buhler, A. Burckhart, Y. Camenen, B. Cannas, P. Cano Megias, D. Carlton, M. Carr, P. Carvalho, C. Castaldo, M. Cavedon, C. Cazzaniga, C. Challis, A. Chankin, C. Cianfarani, F. Clairet, S. Coda, R. Coelho, J.W. Coenen, L. Colas, G. Conway, S. Costea, D. Coster, T. Cote, A.J. Creely, G. Croci, D.J. Cruz Zabala, G. Cseh, A. Czarnecka, I. Cziegler, O. D'Arcangelo, A. Dal Molin, P. David, C. Day, M. de Baar, P. de Marné, R. Delogu, S. Denk, P. Denner, A. Di Siena, J.J. Dominguez Palacios Durán, D. Dunai, A. Drenik, M. Dreval, R. Drube, M. Dunne, B.P. Duval, R. Dux, T. Eich, S. Elgeti, A. Encheva, K. Engelhardt, B. Erdös, I. Erofeev, B. Esposito, E. Fable, M. Faitsch, U. Fantz, M. Farnik, H. Faugel, F. Felici, O. Ficker, S. Fietz, A. Figueredo, R. Fischer, O. Ford, L. Frassinetti, M. Fröschle, G. Fuchert, J.C. Fuchs, H. Fünfgelder, S. Futatani, K. Galazka, J. Galdon-Quiroga, D. Gallart Escolà, A. Gallo10, Y. Gao11, S. Garavaglia3, M. Garcia Muñoz16, B. Geiger21, L. Giannone1, S. Gibson32, L. Gil2, E. Giovannozzi18, S. Glöggler1, M. Gobbin8, J. Gonzalez Martin, T. Goodman, G. Gorini, T. Görler, D. Gradic, G. Granucci, A. Gräter, H. Greuner, M. Griener, M. Groth, A. Gude, L. Guimarais, S. Günter, G. Haas, A.H. Hakola, C. Ham, T. Happel, N. den Harder, G. Harrer, J. Harrison, V. Hauer, T. Hayward-Schneider, B. Heinemann, T. Hellsten, S. Henderson, P. Hennequin, A. Herrmann, E. Heyn, F. Hitzler, J. Hobirk, K. Höfler, J.H. Holm, M. Hölzl, C. Hopf, L. Horvath, T. Höschen, A. Houben, A. Hubbard, A. Huber, K. Hunger, V. Igochine, M. Iliasova, T. Ilkei, K. Insulander Björk, C. Ionita-Schrittwieser, I. Ivanova-Stanik, W. Jacob, N. Jaksic, F. Janky, A. Jansen van Vuuren, A. Jardin, F. Jaulmes, F. Jenko, T. Jensen, E. Joffrin, A. Kallenbach, S. Kálvin, M. Kantor, A. Kappatou, O. Kardaun, J. Karhunen4, C.-P. Käsemann, S. Kasilov, A. Kendl, W. Kernbichler, E. Khilkevitch, A. Kirk, S. Kjer Hansen, V. Klevarova, G. Kocsis, M. Koleva, M. Komm, M. Kong, A. Krämer-Flecken, K. Krieger, A. Krivska, O. Kudlacek, T. Kurki-Suonio, B. Kurzan, B. Labit, K. Lackner, F. Laggner, A. Lahtinen, P.T. Lang, P. Lauber, N. Leuthold, L. Li, J. Likonen, O. Linder, B. Lipschultz, Y. Liu, A. Lohs, Z. Lu, T. Luda di Cortemiglia, N.C. Luhmann, T. Lunt, A. Lyssoivan, T. Maceina, J. Madsen, A. Magnanimo, H. Maier, J. Mailloux, R. Maingi, O. Maj, E. Maljaars, P. Manas, A. Mancini, A. Manhard, P. Mantica, M. Mantsinen, P. Manz, M. Maraschek, C. Marchetto, L. Marrelli, P. Martin, A. Martitsch, F. Matos, M. Mayer, M.-L. Mayoral, D. Mazon, P.J. McCarthy, R. McDermott, R. Merkel, A. Merle, D. Meshcheriakov, H. Meyer, D. Milanesio, P. Molina Cabrera, F. Monaco, M. Muraca, F. Nabais, V. Naulin, R. Nazikian, R.D. Nem, A. Nemes-Czopf, G. Neu, R. Neu, A.H. Nielsen, S.K. Nielsen, T. Nishizawa, M. Nocente, J.-M. Noterdaeme, I. Novikau, S. Nowak, M. Oberkofler, R. Ochoukov, J. Olsen, F. Orain, F. Palermo, O. Pan, G. Papp, I. Paradela Perez, A. Pau, G. Pautasso, C. Paz-Soldan, P. Petersson, P. Piovesan, C. Piron, U. Plank, B. Plaum, B. Plöck, V. Plyusnin, G. Pokol, E. Poli, L. Porte, T. Pütterich, M. Ramisch, J. Rasmussen, G. Ratta, S. Ratynskaia, G. Raupp, D. Réfy, M. Reich1, F. Reimold, D. Reiser, M. Reisner, D. Reiter, T. Ribeiro, R. Riedl, J. Riesch, D. Rittich, J.F. Rivero Rodriguez, G. Rocchi, P. Rodriguez-Fernandez, M. Rodriguez-Ramos, V. Rohde, G. Ronchi, A. Ross, M. Rott, M. Rubel, D.A. Ryan, F. Ryter, S. Saarelma, M. Salewski, A. Salmi, O. Samoylov, L. Sanchis Sanchez, J. Santos, O. Sauter, G. Schall, K. Schlüter, K. Schmid, O. Schmitz, P.A. Schneider, R. Schrittwieser, M. Schubert, C. Schuster, T. Schwarz-Selinger, J. Schweinzer, E. Seliunin, A. Shabbir, A. Shalpegin, S. Sharapov, U. Sheikh, A. Shevelev, G. Sias, M. Siccinio, B. Sieglin, A. Sigalov, A. Silva, C. Silva, D. Silvagni, J. Simpson, S. Sipilä, E. Smigelskis, A. Snicker, E. Solano, C. Sommariva, C. Sozzi, G. Spizzo, M. Spolaore, A. Stegmeir, M. Stejner, J. Stober, E. Strumberge1, G. Suarez Lopez, H.-J. Sun, W. Suttrop, E. Sytova, T. Szepesi, B. Tál, T. Tala, G. Tardini, M. Tardocchi, D. Terranova, M. Teschke, E. Thorén, W. Tierens, D. Told, W. Treutterer, G. Trevisan, E. Trier, M. Tripský, M. Usoltceva, M. Valisa, M. Valovic, M. van Zeeland, F. Vannini, B. Vanovac, P. Varela, S. Varoutis, N. Vianello, J. Vicente, G. Verdoolaege, T. Vierle, E. Viezzer, I. Voitsekhovitch, U. von Toussaint, D. Wagner, X. Wang, M. Weiland, A.E. White, M. Willensdorfer, B. Wiringer, M. Wischmeier, R. Wolf, E. Wolfrum, Q. Yang, Q. Yu, R. Zagórski, I. Zammuto, T. Zehetbauer, W. Zhang, W. Zholobenko, M. Zilker, A. Zito, H. Zohm, S. Zoletnik and the EUROfusion MST1 Team "
Published: 2022

12. Bias and synergy in the self-consistent approach of data analysis of ion beam techniques

Author: T.F. Silva, C.L. Rodrigues, M.H. Tabacniks, U. von Toussaint, and M. Mayer
Subjects: Nuclear and High Energy Physics, Physics - Data Analysis, Statistics and Probability, FOS: Physical sciences, Instrumentation, Data Analysis, Statistics and Probability (physics.data-an)
Abstract: Using multiple ion beam analysis measurements, or techniques, combined with self-consistent data processing, generally allows extracting more (or more accurate) information from the measurements than processing separately data from single measurements. Solving ambiguities, improving the final depth resolution, defining constraints and extending applicability are the main strengths of the data-fusion approach. It basically consists in formulating a multi-objective minimization problem that can be tackled by the adoption of the weighted-sum method. A simulation study is reported in order to evaluate the systematic error inserted in the analysis by the choice of a specific objective function, or even by the weights or normalization adopted in the weighted-sum method. We demonstrate that the bias of the analyzed objective functions asymptotically converges to the true value for better statistics. We also demonstrate that the joint analysis inherits the accuracy of the most accurate measurement, establishing a rank of information content, where some combinations of measurements are more valuable than others, i.e. when processed together they provide more information by means of a better constraint for the multi-objective optimization., 9 pages and 8 figures
Published: 2022

13. Theoretical study of the formation of C18H and C18H2 molecules by low energy irradiation with atomic and molecular hydrogen

Author: C. Martínez-Flores, Predrag S Krstic, Remigio Cabrera-Trujillo, U. von Toussaint, and F.J. Domínguez-Gutiérrez
Subjects: Range (particle radiation), Radiation, Materials science, 010308 nuclear & particles physics, Hydrogen bond, chemistry.chemical_element, Ring (chemistry), 01 natural sciences, 030218 nuclear medicine & medical imaging, 03 medical and health sciences, Molecular dynamics, 0302 clinical medicine, Fragmentation (mass spectrometry), chemistry, Chemical physics, 0103 physical sciences, Molecule, Physics::Atomic Physics, Irradiation, Carbon
Abstract: We study the formation of C18H and C18H2 by irradiating a cyclo [18]carbon molecule with atomic and molecular hydrogen at impact energy, E, in the range of 0.5–25 eV. We utilize the density-functional tight-binding method to perform molecular dynamics simulations to emulate the interaction of a carbon ring when colliding with atomic or molecular hydrogen. From our results, the formation of the C18H molecules is likely to occur upon irradiating by H atoms at E s p 2 hybridization. The angle between the carbon atoms at the locations near to the H bond in the resulting ring is not 120° but instead 110° degrees. No molecular fragmentation of the C18 ring is observed.
Published: 2021

14. 'Towards validated multiscale simulations for fusion'

Author: O. O. Luk, Jalal Lakhlili, D. P. Coster, U. von Toussaint, Bill Scott, and O. Hoenen
Subjects: Physics, Fusion, Thermonuclear fusion, General Mathematics, Nuclear engineering, General Engineering, Fusion plasma, General Physics and Astronomy, Nuclear fusion, Uncertainty quantification, Energy (signal processing)
Abstract: Harnessing energy produced by thermonuclear fusion reactions has the potential to provide a clean and inexpensive source of energy to Earth. However, throughout the past seven decades, physicists learned that creating our very own fusion energy source is very difficult to achieve. We constructed a component-based, multiscale fusion workflow to model fusion plasma inside the core of a tokamak device. To ensure the simulation results agree with experimental values, the model needs to undergo the process of verification, validation and uncertainty quantification (VVUQ). This paper will go over the VVUQ work carried out in the multiscale fusion workflow (MFW), with the help of the EasyVVUQ software library developed by the VECMA project. In particular, similarity of distributions from simulation and experiment is explored as a validation metric. Such initial validation measures provide insights into the accuracy of the simulation results. This article is part of the theme issue ‘Reliability and reproducibility in computational science: implementing verification, validation and uncertainty quantification in silico ’.
Published: 2021
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15. Self-consistent ion beam analysis: An approach by multi-objective optimization

Author: Marcia de Almeida Rizzutto, Till Höschen, Manfredo Harri Tabacniks, C. L. Rodrigues, Tiago Fiorini da Silva, Nemitala Added, M. Mayer, and U. von Toussaint
Subjects: Condensed Matter - Materials Science, Nuclear and High Energy Physics, Ion beam analysis, Ion beam, Computer science, Reliability (computer networking), ALGORITMOS ÚTEIS E ESPECÍFICOS, Experimental data, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Sample (statistics), Computational Physics (physics.comp-ph), Multi-objective optimization, Set (abstract data type), Code (cryptography), Physics - Computational Physics, Instrumentation, Algorithm
Abstract: Ion Beam Analysis (IBA) comprises a set of analytical techniques suited for material analysis, many of which are rather closely related. Self-consistent analysis of several IBA techniques takes advantage of this close relationship to combine different Ion Beam measurements in a unique model to obtain an improved characterization of the sample. This approach provides a powerful tool to obtain an unequivocal and reliable model of the sample, increasing confidence and reducing ambiguities. Taking advantage of the recognized reliability and quality of the simulations provided by SIMNRA, we developed a multi-process program for a self-consistent analysis based on SIMNRA calculations. MultiSIMNRA uses computational algorithms to minimize an objective function running multiple instances of SIMNRA. With four different optimization algorithms, the code can handle sample and setup parameters (including correlations and constraints), to find the set of parameters that best fits simultaneously all experimental data., Comment: 27 pages, 5 figures, research paper
Published: 2021

16. Advective-acoustic cycle in a shallow water standing accretion shock experiment

Author: S. Sebold, U. von Toussaint, U. Stroth, F. Günzkofer, R. Arredondo, Till Höschen, and P. Manz
Subjects: Accretion (meteorology), Shock (fluid dynamics), Advection, Astrophysics::High Energy Astrophysical Phenomena, Flow (psychology), Mechanics, Surface gravity, Supercritical flow, 01 natural sciences, Instability, 010305 fluids & plasmas, Waves and shallow water, 0103 physical sciences, Astrophysics::Earth and Planetary Astrophysics, 010306 general physics, Astrophysics::Galaxy Astrophysics, Physics::Atmospheric and Oceanic Physics, Geology
Abstract: The surface height in a shallow water accretion flow experiment is measured by means of Fourier transform profilometry and the fluctuations are characterized. The shallow water analog of the standing accretion shock instability (SWASI) appears with an azimuthal mode number of one in the presence of supercritical flow in the radial direction. During the occurrence of the SWASI, surface gravity waves preferentially propagate radially outward. This is consistent with the advective-acoustic cycle driving the shallow water analog of the standing accretion shock instability.
Published: 2020

17. On the detection and classification of material defects in crystalline solids after energetic particle impact simulations

Author: U. von Toussaint and F.J. Domínguez-Gutiérrez
Subjects: Nuclear and High Energy Physics, Materials science, FOS: Physical sciences, chemistry.chemical_element, 02 engineering and technology, Tungsten, 01 natural sciences, Molecular physics, 010305 fluids & plasmas, Molecular dynamics, 0103 physical sciences, Atom, Collision cascade, General Materials Science, Invariant (mathematics), Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), Computational Physics (physics.comp-ph), Neutron radiation, 021001 nanoscience & nanotechnology, Nuclear Energy and Engineering, chemistry, Deuterium, Particle, 0210 nano-technology, Physics - Computational Physics
Abstract: We present a fingerprint-like method to analyze material defects after energetic particle irradiation by computing a rotation invariant descriptor vector for each atom of a given sample. For ordered solids this new method is easy to use, does not require extreme computational resources, and is largely independent of the sample material and sample temperature. As illustration we applied the method to molecular dynamics simulations of deuterated and pristine tungsten lattices at 300 K using a primary knock-on atom (PKA) of 1 keV with different velocity directions to emulate a neutron bombardment process. The number of W atoms, which are affected after the collision cascade, have been quantified with the presented approach. At first atoms at regular lattice positions as well as common defect types like interstitials and vacancies have been identified using precomputed descriptor vectors. A principal component analysis (PCA) is used to identify previously overlooked defect types and to derive the corresponding local atomic structure. A comparison of the irradiation effects for deuterated and pristine tungsten samples revealed that deuterated samples exhibit consistently more defects than pristine ones.
Published: 2020

18. Tungsten heavy alloy: an alternative plasma-facing material in terms of hydrogen isotope retention

Author: K. Hunger, Armin Manhard, T. Dürbeck, U. von Toussaint, Rudolf Neu, H. Maier, and Thomas Schwarz-Selinger
Subjects: Nuclear and High Energy Physics, Materials science, Hydrogen, Alloy, Thermal desorption, Analytical chemistry, chemistry.chemical_element, engineering.material, Tungsten, Condensed Matter Physics, 7. Clean energy, 01 natural sciences, Fluence, 010305 fluids & plasmas, chemistry, Deuterium, Nuclear reaction analysis, 0103 physical sciences, engineering, 010306 general physics, Plasma-facing material
Abstract: We performed a systematic study of the deuterium retention in the tungsten heavy alloy W-2Ni-1Fe (HPM 1850 from HC Starck, Germany). Consisting of two different phases with generally two distinctly different heats of solution, such alloys represent a special class of materials with respect to hydrogen isotope transport and retention. Deuterium was implanted from a plasma with an energy of 38 eV D−1 at sample temperatures of 100 °C, 175 °C, and 250 °C in the fluence range 1023 D m−2 to 4 × 1025 D m−2. For each combination of implantation temperature and fluence, two alloy samples were exposed together with one sample of bulk hot-rolled tungsten (from Plansee SE). The amount of retained deuterium was determined by thermal desorption with heating up to 850 °C for the alloy and 1050 °C for the bulk tungsten. The outgassed deuterium was detected by mass spectroscopy at the mass channels 3, 4, 19, and 20 corresponding to HD, D2, HDO, and D2O, respectively. The near-surface deuterium concentration was determined by 3He nuclear reaction analysis. The retention in the alloy as compared to the bulk tungsten decreases systematically with increasing implantation fluence for each of the investigated implantation temperatures. For the higher fluences the ratio decreases systematically also, as a function of implantation temperature. This means that especially for high implantation fluences and temperatures the alloy HPM 1850 systematically retains less hydrogen isotopes than bulk tungsten. This property represents an important qualification criterion as a plasma-facing material for a future fusion reactor.
Published: 2020
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19. Solute diffusion of hydrogen isotopes in tungsten – a gas loading experiment

Author: T. Dürbeck, G. Holzner, U. von Toussaint, and Thomas Schwarz-Selinger
Subjects: Materials science, Isotope, Hydrogen, Analytical chemistry, chemistry.chemical_element, 02 engineering and technology, Tungsten, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, 010305 fluids & plasmas, chemistry, 0103 physical sciences, Solute diffusion, 0210 nano-technology, Mathematical Physics
Published: 2020

20. Hydrogen atom-ion synergy in surface lattice modification at sub-threshold energy

Author: Markus Wilde, U. von Toussaint, L. Gao, Armin Manhard, and Wolfgang Jacob
Subjects: 010302 applied physics, Materials science, Polymers and Plastics, Hydrogen, Metals and Alloys, chemistry.chemical_element, 02 engineering and technology, Hydrogen atom, 021001 nanoscience & nanotechnology, 7. Clean energy, 01 natural sciences, Molecular physics, Electronic, Optical and Magnetic Materials, Ion, Deuterium, chemistry, ddc:670, Vacancy defect, 0103 physical sciences, Ceramics and Composites, Frenkel defect, Surface modification, Atomic ratio, 0210 nano-technology
Abstract: Low-energy hydrogen-isotope (HI) plasma is widely applied for industrial surface processing. Here we demonstrate that HI plasma - even with ion energies far below the threshold for stable Frenkel pair production - can strongly modify crystalline materials by forming heavily lattice-distorted surface layers with a thickness of several nanometers and a HI content of several atomic percent. We experimentally reproduce the identical lattice modification at deuterium and hydrogen plasma-irradiated tungsten (W) surfaces when the sub-threshold HI ion energies are adjusted such as to transfer equal amounts of kinetic energy in collisions with W lattice atoms. A physical model for the low-energy generation of primary defects is proposed, which involves the synergy between temporary Frenkel pair creation by sub-threshold HI ion collisions and vacancy stabilization by trapping of solute HI atoms. Such synergistic defect generation is generally expected upon injection of energetic projectiles (ions, neutrons) into HI-containing solids and likely contributes to material degradation. As a means of surface modification, the fabrication of nanometer-scale hydrogen-rich surface layers on materials (even those with negligible hydrogen solubility) via low-energy H plasma exposure promises utilization potential in catalysis and electrochemistry.
Published: 2020
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21. On the classification and quantification of crystal defects after energetic bombardment by machine learned molecular dynamics simulations

Author: J. Byggmästar, U. von Toussaint, F.J. Domínguez-Gutiérrez, Flyura Djurabekova, Kai Nordlund, Materials Physics, Department of Physics, Faculty of Science, and Helsinki Institute of Physics
Subjects: Nuclear and High Energy Physics, Materials science, Materials Science (miscellaneous), FOS: Physical sciences, Interatomic potential, Applied Physics (physics.app-ph), 7. Clean energy, 01 natural sciences, 114 Physical sciences, 010305 fluids & plasmas, Molecular dynamics, VACANCY, Vacancy defect, 0103 physical sciences, Machine learning, Nuclear fusion, Descriptor vectors, 010302 applied physics, Condensed Matter - Materials Science, MD simulations, TUNGSTEN, Materials Science (cond-mat.mtrl-sci), Plasma, Physics - Applied Physics, Computational Physics (physics.comp-ph), Neutron radiation, Fusion power, Crystallographic defect, Gaussian approximation potentials, Computational physics, Material damage analysis, Nuclear Energy and Engineering, Physics - Computational Physics
Abstract: The analysis of the damage on plasma facing materials (PFM), due to their direct interaction with the plasma environment, is needed to build the next generation of nuclear fusion reactors. After systematic analyses of numerous materials over the last decades, tungsten has become the most promising candidate for a nuclear fusion reactor. In this work, we perform molecular dynamics (MD) simulations using a machine learned interatomic potential, based on the Gaussian Approximation Potential framework, to model better neutron bombardment mechanisms in pristine W lattices. The MD potential is trained to reproduce realistic short-range dynamics, the liquid phase, and the material recrystallization, which are important for collision cascades. The formation of point defects is quantified and classified by a descriptor vector (DV) based method, which is independent of the sample temperature and its constituents, requiring only modest computational resources. The locations of vacancies are calculated by the k-d-tree algorithm. The analysis of the damage in the W samples is compared to results obtained by Finnis–Sinclair and Tersoff–Ziegler–Biersack–Littmark potentials, at a sample temperature of 300 K and a primary knock-on atom (PKA) energy range of 0.5–10 keV, where a good agreement with the reported number of Frenkel pair is observed. Our results provide information about the advantages and limits of the machine learned MD simulations with respect to the standard ones. The formation of dumbbell and crowdion defects as a function of PKA energy were identified and distinguished by our DV method.
Published: 2020
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22. Building a turbulence-transport workflow incorporating uncertainty quantification for predicting core profiles in a tokamak plasma

Author: D.P. Coster, R. Fischer, O. Hoenen, J. Lakhlili, O.O. Luk, R. Preuss, B.D. Scott, U. von Toussaint, null the ASDEX Upgrade Team, and ASDEX Upgrade Team, Max Planck Institute for Plasma Physics, Max Planck Society
Subjects: Nuclear and High Energy Physics, Tokamak, Turbulence, Nuclear engineering, 02 engineering and technology, Plasma, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 010305 fluids & plasmas, law.invention, Core (optical fiber), Workflow, law, 0103 physical sciences, Environmental science, Uncertainty quantification, 0210 nano-technology
Abstract: The impact of micro-scale turbulence on the macro-scale plasma profiles in a tokamak is a multi-scale problem (both in space and time) that is treated in this paper by the coupling of turbulence simulations of multiple flux-tubes to a core transport code, together with an equilibrium code. Work on quantifying the uncertainty in the predicted profiles, together with a comparison to experiment is also presented.
Published: 2021

23. Microstructure, mechanical behaviour and fracture of pure tungsten wire after different heat treatments

Author: J. W. Coenen, M. Balden, Johann Riesch, Wolfgang Pantleon, R. Himml, U. von Toussaint, Till Höschen, Pei Zhao, Rudolf Neu, and J. Almanstötter
Subjects: Materials science, Annealing (metallurgy), Metallurgy, Tension test, Recrystallization (metallurgy), chemistry.chemical_element, Recrystallization, 02 engineering and technology, Tungsten, 021001 nanoscience & nanotechnology, Microstructure, 01 natural sciences, Tungsten fibre-reinforced tungsten, 010305 fluids & plasmas, Brittleness, chemistry, Wire, 0103 physical sciences, Ultimate tensile strength, 0210 nano-technology, Tensile testing, Necking
Abstract: Plastic deformation of tungsten wire is an effective source of toughening tungsten fibre-reinforced tungsten composites (Wf/W) and other tungsten fibre-reinforced composites. To provide a reference for optimization of those composites, unconstrained pure tungsten wire is studied after various heat treatments in terms of microstructure, mechanical behaviour and fracture mode. Recrystallization is already observed at a relatively low temperature of 1273 K due to the large driving force caused by a high dislocation density. Annealing for 30 min at 1900 K also leads to recrystallization, but causes a rather different microstructure. As-fabricated wire and wire recrystallized at 1273 K for 3 h show fine grains with a high aspect ratio and a substantial plastic deformability: a clearly defined tensile strength, high plastic work, similar necking shape, and the characteristic knife-edge-necking of individual grains on the fracture surface. While the wire recrystallized at 1900 K displays large, almost equiaxed grains with low aspect ratios as well as distinct brittle properties. Therefore, it is suggested that a high aspect ratio of the grains is important for the ductile behaviour of tungsten wire and that embrittlement is caused by the loss of the preferable elongated grain structure rather than by recrystallization. In addition, a detailed evaluation of the plastic deformation behaviour during tensile test gives guidance to the design and optimization of tungsten fibre-reinforced composites.
Published: 2017

24. First principles and integrated modelling achievements towards trustful fusion power predictions for JET and ITER

Author: Garcia, J., Dumont, R. J., Joly, J., Morales, J., Garzotti, L., Bache, T. W., Baranov, Y., Casson, F. J., Challis, C., Kirov, K., Mailloux, J., Saarelma, S., Nocente, M., Banon-Navarro, A., Goerler, T., Citrin, J., Ho, A., Gallart, D., Mantsinen, M., Abduallev, (Abduallev, S, ( 8, S., 42, ), Abhangi, (Abhangi, M, ( 8, M., 54, ), Abreu, (Abreu, P, ( 8, P., 60, ), Afanasev, (Afanasev, V, V)(, 8, 61, ), Afzal, (Afzal, M, 14, ), Aggarwal, (Aggarwal, Km, ( 8, K. M., 85, ), Ahlgren, (Ahlgren, T, ( 8, T., 106, ), Aho-Mantila, (Aho-Mantila, L, ( 8, L., 113, ), Aiba, (Aiba, N, ( 8, N., 73, ), Airila, (Airila, M, Alarcon, (Alarcon, T, 15, ), Albanese, (Albanese, R, ( 8, R., 18, ), Alegre, (Alegre, D, ( 8, D., 64, ), Aleiferis, (Aleiferis, S, 75, ), Alessi, (Alessi, E, ( 8, E., 50, ), Aleynikov, (Aleynikov, P, 62, ), Alkseev, (Alkseev, A, ( 8, A., 76, ), Allinson, (Allinson, M, Alper, (Alper, B, ( 8, B., Alves, (Alves, E, Ambrosino, (Ambrosino, G, ( 8, G., (Ambrosino, R, Amosov, (Amosov, V, 95, ), Sunden, (Sunden, Ea, Andersson)( 8, E., 26, ), Andrews, (Andrews, R, Angelone, (Angelone, M, 96, ), Anghel, (Anghel, M, 92, ), Angioni, (Angioni, C, ( 8, C., 68, ), Appel, (Appel, L, Appelbee, (Appelbee, C, Arena, Paolo Pietro, (Arena, P, 34, ), Ariola, (Ariola, M, Arshad, (Arshad, S, 45, ), Artaud, (Artaud, J, ( 8, J., Arter, (Arter, W, ( 8, W., Ash, (Ash, A, Ashikawa, (Ashikawa, N, ( 8 ), N., Aslanyan, (Aslanyan, V, 70, ), Asunta, (Asunta, O, ( 8, O., Asztalos, 9, (Asztalos, O, 114, ), Auriemma, (Auriemma, F, ( 8, F., 19, ), Austin, (Austin, Y, ( 8, Y., Avotina, (Avotina, L, 109, ), Axton, (Axton, M, Ayres, (Ayres, C, Baciero, (Baciero, A, Baiao, (Baiao, D, Balboa, (Balboa, I, I)(, 8, Balden, (Balden, M, Balshaw, (Balshaw, N, Bandaru, (Bandaru, Vk, ( 8, V. K., Banks, (Banks, J, Baranov, (Baranov, Yf, ( 8, Y. F., Barcellona, (Barcellona, C, Barnard, (Barnard, T, Barnes, (Barnes, M, 84, ), Barnsley, (Barnsley, R, Wiechec, (Wiechec, Ab, Baron)( 8, A., Orte, (Orte, Lb, Barrera)( 8, L., 37, ), Baruzzo, (Baruzzo, M, Basiuk, (Basiuk, V, Bassan, (Bassan, M, Bastow, (Bastow, R, 82, ), Batista, (Batista, A, Batistoni, (Batistoni, P, Baumane, (Baumane, L, Bauvir, (Bauvir, B, Baylor, (Baylor, L, 77, ), Beaumont, (Beaumont, Ps, ( 8, P. S., Beckers, (Beckers, M, Beckett, (Beckett, B, Bekris, (Bekris, N, 38, ), Beldishevski, (Beldishevski, M, Bell, (Bell, K, ( 8, K., Belli, (Belli, F, Belonohy, (Belonohy, E, ( 8 ), E., Benayas, (Benayas, J, Bergsaker, (Bergsaker, H, ( 8, H., 46, ), Bernardo, (Bernardo, J, Bernert, (Bernert, M, Berry, (Berry, M, Bertalot, (Bertalot, L, Besiliu, (Besiliu, C, Betar, (Betar, H, 51, ), Beurskens, (Beurskens, M, 69, ), Bielecki, (Bielecki, J, 55, ), Biewer, (Biewer, T, Bilato, (Bilato, R, Biletskyi, (Biletskyi, O, 53, ), Bilkova, (Bilkova, P, 58, ), Binda, (Binda, F, Birkenmeier, (Birkenmeier, G, Bizarro, Jps, (Bizarro, ( 8, J. P. S., Bjorkas, (Bjorkas, C, Blackburn, (Blackburn, J, Blackman, (Blackman, Tr, ( 8, T. R., Blanchard, (Blanchard, P, 36, ), Blatchford, (Blatchford, P, Bobkov, (Bobkov, V, Boboc, (Boboc, A, Bogar, (Bogar, O, 24, ), Bohm, (Bohm, P, (Bohm, T, 112, ), Bolshakova, (Bolshakova, I, 67, ), Bolzonella, (Bolzonella, T, Bonanomi, (Bonanomi, N, 104, ), Boncagni, (Boncagni, L, Bonfiglio, (Bonfiglio, D, Bonnin, (Bonnin, X, ( 8, X., Boom, (Boom, J, Borba, (Borba, D, Borodin, (Borodin, D, Borodkina, (Borodkina, I, Boulbe, (Boulbe, C, 102, ), Bourdelle, (Bourdelle, C, Bowden, (Bowden, M, Bowman, (Bowman, C, 115, ), Boyce, (Boyce, T, Boyer, (Boyer, H, Bradnam, (Bradnam, Sc, ( 8, S. 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S., Zakharov, (Zakharov, L, Zanino, (Zanino, R, Zarins, (Zarins, A, (Zarins, R, Fernandez, (Fernandez, Dz, Zarzoso)( 8, D., Zastrow, (Zastrow, Kd, Zerbini, (Zerbini, M, Zhang, (Zhang, W, Zhou, (Zhou, Y, Zilli, (Zilli, E, Zocco, (Zocco, A, Zoita, (Zoita, V, Zoletnik, (Zoletnik, S, Zwingmann, (Zwingmann, W, Zychor, (Zychor, I, 71), Science and Technology of Nuclear Fusion, Garcia, J, Dumont, R, Joly, J, Morales, J, Garzotti, L, Bache, T, Baranov, Y, Casson, F, Challis, C, Kirov, K, Mailloux, J, Saarelma, S, Nocente, M, Banon-Navarro, A, Goerler, T, Citrin, J, Ho, A, Gallart, D, Mantsinen, M, Mariani, A, Garcia, J., Dumont, R. J., Joly, J., Morales, J., Garzotti, L., Bache, T. W., Baranov, Y., Casson, F. J., Challis, C., Kirov, K., Mailloux, J., Saarelma, S., Nocente, M., Banon-Navarro, A., Goerler, T., Citrin, J., Ho, A., Gallart, D., Formisano, A., Mantsinen, M., Dumont, Rj, Bache, Tw, Casson, Fj, Abduallev, S, Abhangi, M, Abreu, P, Afanasev, V, Afzal, M, Aggarwal, Km, Ahlgren, T, Aho-Mantila, L, Aiba, N, Airila, M, Alarcon, T, Albanese, R, Alegre, D, Aleiferis, S, Alessi, E, Aleynikov, P, Alkseev, A, Allinson, M, Alper, B, Alves, E, Ambrosino, G, Ambrosino, R, Amosov, V, Sunden, Ea, Andrews, R, Angelone, M, Anghel, M, Angioni, C, Appel, L, Appelbee, C, Arena, P, Ariola, M, Arshad, S, Artaud, J, Arter, W, Ash, A, Ashikawa, N, Aslanyan, V, Asunta, O, Asztalos, O, Auriemma, F, Austin, Y, Avotina, L, Axton, M, Ayres, C, Baciero, A, Baiao, D, Balboa, I, Balden, M, Balshaw, N, Bandaru, Vk, Banks, J, Baranov, Yf, Barcellona, C, Barnard, T, Barnes, M, Barnsley, R, Wiechec, Ab, Orte, Lb, Baruzzo, M, Basiuk, V, Bassan, M, Bastow, R, Batista, A, Batistoni, P, Baumane, L, Bauvir, B, Baylor, L, 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F, Sartori, R, Sauter, O, Scannell, R, Schluck, F, Schlummer, T, Schmid, K, Schmuck, S, Schopf, K, Schweinzer, J, Schworer, D, Scott, Sd, Sergienko, G, Sertoli, M, Shabbir, A, Sharapov, Se, Shaw, A, Sheikh, H, Shepherd, A, Shevelev, A, Shiraki, D, Shumack, A, Sias, G, Sibbald, M, Sieglin, B, Silburn, S, Silva, J, Silva, A, Silva, C, Silvagni, D, Simmons, P, Simpson, J, Sinha, A, Sipila, Sk, Sips, Acc, Siren, P, Sirinelli, A, Sjostrand, H, Skiba, M, Skilton, R, Skvara, V, Slade, B, Smith, R, Smith, P, Smith, Sf, Snoj, L, Soare, S, Solano, Er, Somers, A, Sommariva, C, Sonato, P, Sos, M, Sousa, J, Sozzi, C, Spagnolo, S, Sparapani, P, Spelzini, T, Spineanu, F, Sprada, D, Sridhar, S, Stables, G, Stallard, J, Stamatelatos, I, Stamp, Mf, Stan-Sion, C, Stancar, Z, Staniec, P, Stankunas, G, Stano, M, Stavrou, C, Stefanikova, E, Stepanov, I, Stephen, Av, Stephen, M, Stephens, J, Stevens, B, Stober, J, Stokes, C, Strachan, J, Strand, P, Strauss, Hr, Strom, P, Studholme, W, Subba, F, Suchkov, E, Summers, Hp, Sun, H, Sutton, N, Svensson, J, Sytnykov, D, Szabolics, T, Szepesi, G, Suzuki, Tt, Tabares, F, Tadic, T, Tal, B, Tala, T, Taliercio, C, Tallargio, A, Tanaka, K, Tang, W, Tardocchi, M, Tatali, R, Taylor, D, Tegnered, D, Telesca, G, Teplova, N, Teplukhina, A, Terranova, D, Terry, C, Testa, D, Tholerus, E, Thomas, J, Thompson, Vk, Thornton, A, Tierens, W, Tiseanu, I, Tojo, H, Tokitani, M, Tolias, P, Tomes, M, Trimble, P, Tripsky, M, Tsalas, M, Tsavalas, P, Tskhakaya, D, Jun, Dt, Turner, I, Turner, Mm, Turnyanskiy, M, Tvalashvili, G, Tyshchenko, M, Uccello, A, Uljanovs, J, Urano, H, Urban, A, Urbanczyk, G, Uytdenhouwen, I, Vadgama, A, Valcarcel, D, Vale, R, Valentinuzzi, M, Valerii, K, Valisa, M, Olivares, Pv, Valovic, M, Van Eester, D, Van Renterghem, W, van Rooij, Gj, Varje, J, Vartanian, S, Vasava, K, Vasilopoulou, T, Vecsei, M, Vega, J, Ventre, S, Verdoolaege, G, Verona, C, Rinati, Gv, Veshchev, E, Vianello, N, Vicente, J, Viezzer, E, Villari, S, Villone, F, Vincent, M, Vincenzi, P, Vinyar, I, Viola, B, Vitins, A, Vizvary, Z, Vlad, M, Voitsekhovitch, I, Voltolina, D, von Toussaint, U, Vondracek, P, Vuksic, M, Wakeling, B, Waldon, C, Walkden, N, Walker, R, Walker, M, Walsh, M, Wang, N, Wang, E, Warder, S, Warren, R, Waterhouse, J, Watts, C, Wauters, T, Webb, M, Weckmann, A, Weiland, J, Weiland, M, Weisen, H, Weiszflog, M, Welch, P, West, A, Wheatley, M, Wheeler, S, Whitehead, Am, Whittaker, D, Widdowson, Am, Wiesen, S, Wilkie, G, Williams, J, Willoughby, D, Wilson, J, Wilson, I, Wilson, Hr, Wischmeier, M, Withycombe, A, Witts, D, Wolfrum, E, Wood, R, Woodley, R, Woodley, C, Wray, S, Wright, Jc, Wright, P, Wukitch, S, Wynn, A, Xiang, L, Xu, T, Xue, Y, Yadikin, D, Yakovenko, Y, Yanling, W, Yavorskij, V, Young, I, Young, R, Young, D, Zacks, J, Zagorski, R, Zaitsev, F, Zakharov, L, Zanino, R, Zarins, A, Zarins, R, Fernandez, Dz, Zastrow, Kd, Zerbini, M, Zhang, W, Zhou, Y, Zilli, E, Zocco, A, Zoita, V, Zoletnik, S, Zwingmann, W, Zychor, I, and JET Contributors
Subjects: Physics, Nuclear and High Energy Physics, Fusion, Jet (fluid), Maximum power principle, Nuclear engineering, Context (language use), Plasma, Fusion power, Condensed Matter Physics, 01 natural sciences, 7. Clean energy, ICRH, Charged particle, 010305 fluids & plasmas, JET, transport, TRANSPORT, Physics::Plasma Physics, Beta (plasma physics), 0103 physical sciences, 010306 general physics
Abstract: Predictability of burning plasmas is a key issue for designing and building credible future fusion devices. In this context, an important effort of physics understanding and guidance is being carried out in parallel to the on-going JET experimental campaigns in H, D and T by performing analyses and modelling towards an improvement of the understanding of DT physics for the optimization of the JET-DT neutron yield and fusion born alpha particle physics. Extrapolations to JET-DT from recent experiments using the maximum power available have been performed including some of the most sophisticated codes and a broad selection of models. There is a general agreement that 11-15MW of fusion power can be expected in DT for the hybrid and baseline scenarios. On the other hand, in high beta, torque and fast ion fraction conditions, isotope effects could be favourable leading to higher fusion yield. It is shown that alpha particles related physics, such as TAE destabilization or fusion power electron heating, could be studied in ITER relevant JET-DT plasmas.
Published: 2019

25. High-flux hydrogen irradiation-induced cracking of tungsten reproduced by low-flux plasma exposure

Author: Armin Manhard, M. Balden, Karl Schmid, U. von Toussaint, L. Gao, and Wolfgang Jacob
Subjects: Nuclear and High Energy Physics, Materials science, Hydrogen, Analytical chemistry, chemistry.chemical_element, 02 engineering and technology, Tungsten, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Cracking, High flux, chemistry, Plasma exposure, 0103 physical sciences, Irradiation, 010306 general physics, 0210 nano-technology, Flux (metabolism)
Published: 2019
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26. Angle-dependent sputter yield measurements of keV D ions on W and Fe and comparison with SDTrimSP and SDTrimSP-3D

Author: Espedito Vassallo, R. Arredondo, M. Pedroni, V. V. Burwitz, Thomas Schwarz-Selinger, U. von Toussaint, Andreas Mutzke, and M. Oberkofler
Subjects: 010302 applied physics, Length scale, Nuclear and High Energy Physics, Yield (engineering), Materials science, Ion beam, Materials Science (miscellaneous), Analytical chemistry, Sputtering, Sputter deposition, Rutherford backscattering spectrometry, Roughness, lcsh:TK9001-9401, 01 natural sciences, 010305 fluids & plasmas, Ion, SDTrimSP, Nuclear Energy and Engineering, 0103 physical sciences, Surface roughness, lcsh:Nuclear engineering. Atomic power
Abstract: The influence of surface roughness on the sputter yield was investigated as a function of the angle of incidence. In this work, nm-smooth and rough samples with roughnesses on the µm length scale were produced by depositing thin Fe and W films on smooth and rough Si substrates via magnetron sputtering. The surface morphology of the samples was determined by atomic force microscopy. The samples were exposed to a 6 keV D3+ ion beam (2 keV/D) under various angles of incidence ranging from 0° to 75° with respect to the surface normal to fluences of the order of 1022 D/m2. The layer thickness was measured by Rutherford backscattering spectrometry (RBS) before and after erosion. The resulting sputter yields were compared to simulations performed with SDTrimSP (static and dynamic) and SDTrimSP-3D (static), showing good qualitative agreement in all cases, as well as agreement with literature data at normal incidence. This constitutes the first experimental benchmark of SDTrimSP-3D. A discrepancy in the value of the sputter yield for smooth W at normal incidence was observed between the SDTrimSP simulations and the experimental values obtained in this work and found in literature. Analogous experiments were performed to study the sputter yield at normal incidence of 2 keV/D on smooth Au and 6 keV He on smooth W. These sputter yields were also compared to SDTrimSP simulations and literature, showing good agreement in all cases. Keywords: Sputtering, SDTrimSP, Roughness
Published: 2019
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27. Divertor power load predictions based on machine learning

Author: M. Brenzke, S. Wiesen, M. Bernert, D. Coster, J. Jitsev, Y. Liang, U. von Toussaint, null ASDEX Upgrade Team, null EUROfusion MST1 Team, ASDEX Upgrade Team, Max Planck Institute for Plasma Physics, Max Planck Society, and EUROfusion MST1 Team
Subjects: Nuclear and High Energy Physics, Power load, Computer science, Divertor, Nuclear engineering, 0103 physical sciences, 010306 general physics, Condensed Matter Physics, 01 natural sciences, 010305 fluids & plasmas
Abstract: Machine learning based data-driven approaches to thermal load prediction on the divertor targets of ASDEX upgrade (AUG) are presented. After selecting time averaged data from almost six years of operation of AUG and applying basic physics-motivated cuts to the data we find that we are able to train machine learning models to predict a scalar quantifying the steady state thermal loads on the outer divertor target given scalar operational parameters. With both random forest and neural network based models we manage to achieve decent agreement between the model predictions and the observed values from experiments. Furthermore, we investigate the dependencies of the models and observe that the models manage to extract trends expected from previous physics analyses.
Published: 2021

28. Gaussian Processes for SOLPS Data Emulation

Author: U. von Toussaint and Roland Preuss
Subjects: Nuclear and High Energy Physics, Emulation, Exploit, Computer science, Mechanical Engineering, 02 engineering and technology, Parameter space, 01 natural sciences, Outcome (probability), 010305 fluids & plasmas, Power (physics), symbols.namesake, Nuclear Energy and Engineering, 0103 physical sciences, 0202 electrical engineering, electronic engineering, information engineering, symbols, 020201 artificial intelligence & image processing, General Materials Science, Point (geometry), Gaussian process, Algorithm, Civil and Structural Engineering, Parametric statistics
Abstract: Computer codes modeling plasma-wall interactions of fusion plasmas are costly in computer power and time—the running time for a single parameter setting is easily on the order of weeks or months, not to mention the expenditure for parametric studies. We propose to exploit the already gathered results in order to predict the outcome in the high-dimensional parameter space. For this, we utilize the Gaussian process method within the Bayesian framework. Uncertainties of the predictions are provided that point the way to parameter settings of further (expensive) simulations.
Published: 2016

29. Uncertainty quantification in ion–solid interaction simulations

Author: Roland Preuss and U. von Toussaint
Subjects: 0106 biological sciences, Nuclear and High Energy Physics, Polynomial chaos, 010504 meteorology & atmospheric sciences, Computer science, 010604 marine biology & hydrobiology, Gaussian, Sampling (statistics), Function (mathematics), 01 natural sciences, symbols.namesake, Scalability, symbols, Statistical physics, Uncertainty quantification, Instrumentation, Energy (signal processing), Reliability (statistics), 0105 earth and related environmental sciences
Abstract: Within the framework of Bayesian uncertainty quantification we propose a non-intrusive reduced-order spectral approach (polynomial chaos expansion) to the simulation of ion–solid interactions. The method not only reduces the number of function evaluations but provides simultaneously a quantitative measure for which combinations of inputs have the most important impact on the result. It is applied to SDTRIM-simulations (Moller et al., 1988) with several uncertain and Gaussian distributed input parameters (i.e. angle, projectile energy, surface binding energy, target composition) and the results are compared to full-grid based approaches and sampling based methods with respect to reliability, efficiency and scalability.
Published: 2017

30. Impact of surface enrichment and morphology on sputtering of EUROFER by deuterium

Author: Andreas Mutzke, M. Oberkofler, R. Arredondo, M. Balden, S. Elgeti, U. von Toussaint, Karsten Schlueter, M. Mayer, Till Höschen, and Wolfgang Jacob
Subjects: Nuclear and High Energy Physics, Yield (engineering), Materials science, Scanning electron microscope, Materials Science (miscellaneous), Analytical chemistry, chemistry.chemical_element, Tungsten, 01 natural sciences, 7. Clean energy, Fluence, 010305 fluids & plasmas, SDTrimSP, X-ray photoelectron spectroscopy, Sputtering, 0103 physical sciences, Surface roughness, 010302 applied physics, Rutherford backscattering spectrometry, Roughness, lcsh:TK9001-9401, Nuclear Energy and Engineering, chemistry, SEM, SDTrimSP-3D, lcsh:Nuclear engineering. Atomic power, EUROFER, RAFM
Abstract: EUROFER is a Reduced Activation Ferritic Martensitic (RAFM) steel developed as structural material for future fusion power plants and is considered as first-wall material in recessed areas of DEMO. Recent work has shown a fluence-dependent decrease of the sputter yield for bombardment with deuterium ions in the energy range of 100 to about 500 eV. This decrease was previously attributed to preferential sputtering of the lower mass constituents in EUROFER, such as Fe and Cr, compared to the higher mass alloying elements. This leads to an increase of the surface tungsten concentration. However, it was also observed that, after sputtering, the samples had developed a very rough surface morphology. In this work, the combined influence of surface roughness and W surface enrichment on the sputter yield of EUROFER under bombardment with 200 eV deuterium ions was studied. The influence of surface roughness was determined with the aid of Scanning Electron Microscopy (SEM) and SDTrimSP-3D simulations. W surface enrichment was investigated applying sputter X-Ray Photoelectron Spectroscopy (XPS) depth-profiling and Rutherford backscattering spectrometry (RBS). After bombardment to a fluence of 1024 D m−2 (at 200 eV per deuterium) a reduction of the sputter yield to 29% ± 5% of the initial value was measured by weight-loss measurements. This reduction is in good agreement with published values. Two distinct surface morphologies, consisting of smooth and spiked surfaces, were observed on the EUROFER sample after sputtering. Based on the experimental results, the combined effect of the two factors, surface roughness and W surface enrichment, is estimated to be responsible for a reduction in the sputter yield to 27% ± 4% of the initial value, which is in excellent agreement with the measured value. Our assessment shows that both surface morphology and W surface enrichment contribute significantly to the reduction of the sputter yield of EUROFER under the given experimental conditions, and are sufficient to fully explain the experimentally observed reduction in the sputter yield.
Published: 2020

31. OVERVIEW OF PHYSICS STUDIES ON ASDEX UPGRADE

Author: Neville C. Luhmann, J. Mailloux, A. Kappatou, Yann Camenen, R. Arredondo Parra, P. Petersson, G. F. Harrer, I. Gomez Ortiz, E. Giovannozzi, S. S. Henderson, C. Sommariva, Thomas Schwarz-Selinger, G. Fuchert, Christopher G. Albert, P. Piovesan, A. Herrmann, C. Piron, Robert Lunsford, J. Hobirk, F. Clairet, L. Xiang, Carlo Cazzaniga, A. Burckhart, B. Kurzan, Bernhard Ploeckl, G. Kocsis, A. Mancini, Benoit Labit, M. Reich, N. den Harder, Faa Federico Felici, M. Oberparleiter, Tamás Szepesi, Sibylle Günter, K. Behler, R. Merkel, Ocleto D'Arcangelo, G. Haas, Alessandro Bortolon, T. B. Cote, E. Trier, P. Simon, A. Gude, Daniele Milanesio, Winfried Kernbichler, Dorothea Gradic, M. Rodriguez-Ramos, G.A. Rattá, G. Croci, O. Tudisco, E. Heyn, M. Groth, J. Gonzalez Martin, Olivier Sauter, Irena Ivanova-Stanik, Massimo Nocente, J. R. Harrison, Martin Heyn, C. Bruhn, C. Ham, L. Shao, M. Schubert, F. Brochard, Yu Gao, Bernd Heinemann, Sandra C. Chapman, Armin Manhard, S. S. Denk, A. Jardin, D. P. Coster, G. Schall, L. Horvath, Alexander Creely, Roman Schrittwieser, Patrick J. McCarthy, C. Castaldo, B. Wiringer, M. J. Mantsinen, Till Höschen, Ph. Lauber, V. Mertens, Anders Nielsen, G. Suarez, M. E. Manso, M. Dibon, S. Wiesen, Mirko Salewski, C. D. Challis, J. Schweinzer, D. Douai, Lorenzo Frassinetti, R. C. Wolf, Mirko Ramisch, P. de Marne, Yueqiang Liu, H. van den Brand, S. Nowak, E. Joffrin, M. Teschke, Karl Schmid, D. Silvagni, L. Giannone, D. I. Refy, E. Wolfrum, M. Sertoli, Chanho Moon, O. J. W. F. Kardaun, A. Ross, S. Elgeti, A. Shalpegin, G. D. Conway, A. Sigalov, Alberto Bottino, Benedikt Geiger, M. Willensdorfer, D. C. van Vugt, Mark Maraschek, W. Zhang, M. Oberkofler, M. Griener, Stylianos Varoutis, Bill Scott, F. Monaco, W. Suttrop, Helmut Faugel, Christian Hopf, J. Vicente, Gerhard Raupp, S. Fietz, Omar Maj, D. Terranova, Q. Yu, E. Seliunin, L. Gil, K. Lackner, I. Novikau, S. Heinzel, G. Birkenmeier, O. Linder, I. Zammuto, H. Fünfgelder, Alessandro Biancalani, D. Prisiazhniuk, Analiza M. Silva, Volker Hauer, Ulrich Stroth, M. Faitsch, Toke Koldborg Jensen, S. Brezinsek, S. Garavaglia, V. Nikolaeva, C. Angioni, T. Maceina, Antti Snicker, O. Schmitz, T. Vierle, A. Scarabosio, D. Carlton, F. Penzel, M. Tardocchi, Riccardo Maggiora, V. Plyusnin, A. Bergmann, A. Bock, G. Rocchi, Andreas Frank Martitsch, J. W. Coenen, I. Erofeev, Pierre Manas, J. Stober, O. Meyer, M. A. Van Zeeland, A. S. Jacobsen, H. Meister, Jens Madsen, E. Smigelskis, A. Lohs, T. Happel, A. Gallo, F. Ryter, P. A. Schneider, A. Kallenbach, Alf Köhn, C. Bottereau, I. Paradela Perez, N. Arden, M. Koubiti, Gergely Papp, Burkhard Plaum, Jorge Ferreira, P. Denner, H. Greuner, Daniel Told, M. Weiland, T. Hayward-Schneider, B. Sieglin, A. Buhler, B. Böswirth, A. Krämer-Flecken, F. Jaulmes, J. Galdon-Quiroga, M. Balden, J. Pinzón Acosta, C. Sozzi, T. Bolzonella, G. Neu, Simon Freethy, T. Sehmer, K. Höfler, T. T. Ribeiro, F. Mink, Ursel Fantz, Q. Yang, Jeppe Olsen, M. Wischmeier, P. Mantica, Timothy Goodman, R. Delogu, T. Tala, Panagiotis Tolias, A. Houben, G. Tardini, A. Kirk, T. Odstrcil, R. Fischer, J. Juul Rasmussen, D. Carralero, H. F. Meyer, P. Martin, J. Miettunen, E. Maljaars, Matthew Carr, Z. Yang, G. Pautasso, B. P. Duval, E. Sytova, Stefano Coda, D. Meshcheriakov, Morten Stejner, S. Zoletnik, Thomas Zehetbauer, M. Li, F. Liu, R. Neu, A. Drenik, P. Manz, E. Fable, Otto Asunta, Zhixin Lu, S. Kálvin, Bruce Lipschultz, Vinodh Bandaru, A. Di Siena, Mattia Siccinio, S. Costea, Frank Jenko, Peter Lang, V. Rohde, Manfred Zilker, F. Nabais, H. J. Sun, Chris Hegna, A. Krivska, M. Rott, S. E. Sharapov, Antoine Merle, J. Bernardo, K. Engelhardt, M. Garcia-Munoz, M. Kantor, M. Hölzl, J. M. Santos, L. Guimarais, A. Figuereido, Carlos B. da Silva, Ch. Day, P. David, U. von Toussaint, T. C. Blanken, D. A. Ryan, F. Palermo, Silvio Ceccuzzi, J.-M. Noterdaeme, M. Gobbin, A. Jansen van Vuuren, C.-P. Kasemann, D. Rittich, Wouter Tierens, Taina Kurki-Suonio, C. Martens, R. Riedl, Antti Hakola, A. Czarnecka, F. Hitzler, M. Spolaore, M. Tripský, D. Brida, A. V. Chankin, Alessandro Pau, T. Ilkei, K. Krieger, Emanuele Poli, Florian Laggner, J. F. Rivero-Rodriguez, Wolfgang Jacob, Nengchao Wang, Anne White, S. Kjer Hansen, Stefan Kragh Nielsen, M. Fröschle, R. Bilato, O. Kudlacek, Tobias Görler, A. Stegmeir, Ari Salmi, L. Colas, A. Mlynek, Istvan Cziegler, V. Bobkov, James Buchanan, A. Gräter, T. Luda di Cortemiglia, R. Drube, John Hammer Holm, Giuliana Sias, K. Galazka, Giuseppe Gorini, V. Igochine, B. Vanovac, O. P. Ford, A. Garcia-Carrasco, R. M. McDermott, B. Tal, A. Lebschy, M. Cavedon, Julia Fuchs, E. Viezzer, R. Dux, R.A. Pitts, Svetlana V. Ratynskaia, Aqsa Shabbir, Sergei Kasilov, M. Bernert, S. Saarelma, Gergö Pokol, F. Reimold, Geert Verdoolaege, M. Mayer, Marek Rubel, L. Sanchis-Sanchez, R. Maingi, William Hornsby, U. Plank, C. Cianfarani, N. Vianello, A. Huber, Gustavo Granucci, Didier Mazon, S. Glöggler, J. Simpson, I. Faust, G. L. Ravera, Laurie Porte, Johann Riesch, F. Janky, A Lyssoivan, T. Pütterich, F. Orain, M. Valisa, B. Esposito, C. Gleason-González, Juha Karhunen, M. Valovic, H. Maier, Gábor Cseh, A. Nemes-Czopf, E. Thoren, O. Pan, T. Eich, R. Coelho, M.R. de Baar, E. Strumberger, T. Hellsten, Lionello Marrelli, Boglarka Erdos, Pascale Hennequin, R. Ochoukov, H. Zohm, D. Wagner, Yevgen O. Kazakov, A. Medvedeva, M. G. Dunne, W. Treutterer, N. Leuthold, R. Zagórski, S. Potzel, V. Klevarova, Dirk Reiser, X. Wang, T. Lunt, Meyer, H, Angioni, C, Albert, C, Arden, N, Arredondo Parra, R, Asunta, O, De Baar, M, Balden, M, Bandaru, V, Behler, K, Bergmann, A, Bernardo, J, Bernert, M, Biancalani, A, Bilato, R, Birkenmeier, G, Blanken, T, Bobkov, V, Bock, A, Bolzonella, T, Bortolon, A, Boswirth, B, Bottereau, C, Bottino, A, Van Den Brand, H, Brezinsek, S, Brida, D, Brochard, F, Bruhn, C, Buchanan, J, Buhler, A, Burckhart, A, Camenen, Y, Carlton, D, Carr, M, Carralero, D, Castaldo, C, Cavedon, M, Cazzaniga, C, Ceccuzzi, S, Challis, C, Chankin, A, Chapman, S, Cianfarani, C, Clairet, F, Coda, S, Coelho, R, Coenen, J, Colas, L, Conway, G, Costea, S, Coster, D, Cote, T, Creely, A, Croci, G, Cseh, G, Czarnecka, A, Cziegler, I, D'Arcangelo, O, David, P, Day, C, Delogu, R, De Marne, P, Denk, S, Denner, P, Dibon, M, Di Siena, A, Douai, D, Drenik, A, Drube, R, Dunne, M, Duval, B, Dux, R, Eich, T, Elgeti, S, Engelhardt, K, Erdos, B, Erofeev, I, Esposito, B, Fable, E, Faitsch, M, Fantz, U, Faugel, H, Faust, I, Felici, F, Ferreira, J, Fietz, S, Figuereido, A, Fischer, R, Ford, O, Frassinetti, L, Freethy, S, Froschle, M, Fuchert, G, Fuchs, J, Funfgelder, H, Galazka, K, Galdon-Quiroga, J, Gallo, A, Gao, Y, Garavaglia, S, Garcia-Carrasco, A, Garcia-Munoz, M, Geiger, B, Giannone, L, Gil, L, Giovannozzi, E, Gleason-Gonzalez, C, Gloggler, S, Gobbin, M, Gorler, T, Gomez Ortiz, I, Gonzalez Martin, J, Goodman, T, Gorini, G, Gradic, D, Grater, A, Granucci, G, Greuner, H, Griener, M, Groth, M, Gude, A, Gunter, S, Guimarais, L, Haas, G, Hakola, A, Ham, C, Happel, T, Den Harder, N, Harrer, G, Harrison, J, Hauer, V, Hayward-Schneider, T, Hegna, C, Heinemann, B, Heinzel, S, Hellsten, T, Henderson, S, Hennequin, P, Herrmann, A, Heyn, M, Heyn, E, Hitzler, F, Hobirk, J, Hofler, K, Holzl, M, Hoschen, T, Holm, J, Hopf, C, Hornsby, W, Horvath, L, Houben, A, Huber, A, Igochine, V, Ilkei, T, Ivanova-Stanik, I, Jacob, W, Jacobsen, A, Janky, F, Jansen Van Vuuren, A, Jardin, A, Jaulmes, F, Jenko, F, Jensen, T, Joffrin, E, Kasemann, C, Kallenbach, A, Kalvin, S, Kantor, M, Kappatou, A, Kardaun, O, Karhunen, J, Kasilov, S, Kazakov, Y, Kernbichler, W, Kirk, A, Kjer Hansen, S, Klevarova, V, Kocsis, G, Kohn, A, Koubiti, M, Krieger, K, Krivska, A, Kramer-Flecken, A, Kudlacek, O, Kurki-Suonio, T, Kurzan, B, Labit, B, Lackner, K, Laggner, F, Lang, P, Lauber, P, Lebschy, A, Leuthold, N, Li, M, Linder, O, Lipschultz, B, Liu, F, Liu, Y, Lohs, A, Lu, Z, Luda Di Cortemiglia, T, Luhmann, N, Lunsford, R, Lunt, T, Lyssoivan, A, Maceina, T, Madsen, J, Maggiora, R, Maier, H, Maj, O, Mailloux, J, Maingi, R, Maljaars, E, Manas, P, Mancini, A, Manhard, A, Manso, M, Mantica, P, Mantsinen, M, Manz, P, Maraschek, M, Martens, C, Martin, P, Marrelli, L, Martitsch, A, Mayer, M, Mazon, D, Mccarthy, P, Mcdermott, R, Meister, H, Medvedeva, A, Merkel, R, Merle, A, Mertens, V, Meshcheriakov, D, Meyer, O, Miettunen, J, Milanesio, D, Mink, F, Mlynek, A, Monaco, F, Moon, C, Nabais, F, Nemes-Czopf, A, Neu, G, Neu, R, Nielsen, A, Nielsen, S, Nikolaeva, V, Nocente, M, Noterdaeme, J, Novikau, I, Nowak, S, Oberkofler, M, Oberparleiter, M, Ochoukov, R, Odstrcil, T, Olsen, J, Orain, F, Palermo, F, Pan, O, Papp, G, Paradela Perez, I, Pau, A, Pautasso, G, Penzel, F, Petersson, P, Pinzon Acosta, J, Piovesan, P, Piron, C, Pitts, R, Plank, U, Plaum, B, Ploeckl, B, Plyusnin, V, Pokol, G, Poli, E, Porte, L, Potzel, S, Prisiazhniuk, D, Putterich, T, Ramisch, M, Rasmussen, J, Ratta, G, Ratynskaia, S, Raupp, G, Ravera, G, Refy, D, Reich, M, Reimold, F, Reiser, D, Ribeiro, T, Riesch, J, Riedl, R, Rittich, D, Rivero-Rodriguez, J, Rocchi, G, Rodriguez-Ramos, M, Rohde, V, Ross, A, Rott, M, Rubel, M, Ryan, D, Ryter, F, Saarelma, S, Salewski, M, Salmi, A, Sanchis-Sanchez, L, Santos, J, Sauter, O, Scarabosio, A, Schall, G, Schmid, K, Schmitz, O, Schneider, P, Schrittwieser, R, Schubert, M, Schwarz-Selinger, T, Schweinzer, J, Scott, B, Sehmer, T, Seliunin, E, Sertoli, M, Shabbir, A, Shalpegin, A, Shao, L, Sharapov, S, Sias, G, Siccinio, M, Sieglin, B, Sigalov, A, Silva, A, Silva, C, Silvagni, D, Simon, P, Simpson, J, Smigelskis, E, Snicker, A, Sommariva, C, Sozzi, C, Spolaore, M, Stegmeir, A, Stejner, M, Stober, J, Stroth, U, Strumberger, E, Suarez, G, Sun, H, Suttrop, W, Sytova, E, Szepesi, T, Tal, B, Tala, T, Tardini, G, Tardocchi, M, Teschke, M, Terranova, D, Tierens, W, Thoren, E, Told, D, Tolias, P, Tudisco, O, Treutterer, W, Trier, E, Tripsky, M, Valisa, M, Valovic, M, Vanovac, B, Van Vugt, D, Varoutis, S, Verdoolaege, G, Vianello, N, Vicente, J, Vierle, T, Viezzer, E, Von Toussaint, U, Wagner, D, Wang, N, Wang, X, Weiland, M, White, A, Wiesen, S, Willensdorfer, M, Wiringer, B, Wischmeier, M, Wolf, R, Wolfrum, E, Xiang, L, Yang, Q, Yang, Z, Yu, Q, Zagorski, R, Zammuto, I, Zhang, W, Van Zeeland, M, Zehetbauer, T, Zilker, M, Zoletnik, S, Zohm, H, Meyer, H., Universidad de Sevilla, Departamento de Física Atómica, Molecular y Nuclear, Universidad de Sevilla. RNM138: Física Nuclear Aplicada, Universidad de Sevilla. TEP111: Ingeniería Mecánica, CEA Cadarache, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Physique des interactions ioniques et moléculaires (PIIM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Plasmas (LPP), Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École polytechnique (X)-Sorbonne Université (SU)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Culham Science Centre, Max-Planck-Institut für Plasmaphysik, Department of Applied Physics, Dutch Institute for Fundamental Energy Research, University of Lisbon, Eindhoven University of Technology, National Research Council of Italy, Princeton University, CEA, Forschungszentrum Jülich, Université de Lorraine, CNRS, Agenzia nazionale per le nuove tecnologie, l'energia e lo sviluppo economico sostenibile, University of Warwick, Swiss Federal Institute of Technology Lausanne, University of Innsbruck, University of Wisconsin-Madison, Massachusetts Institute of Technology, Hungarian Academy of Sciences, Soltan Institute for Nuclear Studies, University of York, Karlsruhe Institute of Technology, KTH Royal Institute of Technology, University of Seville, University of Milan - Bicocca, Fusion and Plasma Physics, VTT Technical Research Centre of Finland, Vienna University of Technology, Max-Planck Computing and Data Facility, General Atomics, Université Paris-Saclay, Graz University of Technology, Institut für Grenzflachenverfahrenstechnik und Plasmatechnologie, Danmarks Tekniske Universitet, Budapest University of Technology and Economics, Polish Academy of Sciences, Royal Military Academy, Ghent University, ITER Organization, University of California Davis, Polytechnic University of Turin, Barcelona Supercomputing Center, University College Cork, Chalmers University of Technology, University of Cagliari, ITER, CIEMAT, CAS - Institute of Plasma Physics, Max Planck Institute for Plasma Physics, Aalto-yliopisto, Aalto University, Angioni, C., Albert, C. G., Arden, N., Arredondo Parra, R., Asunta, O., De Baar, M., Balden, M., Bandaru, V., Behler, K., Bergmann, A., Bernardo, J., Bernert, M., Biancalani, A., Bilato, R., Birkenmeier, G., Blanken, T. C., Bobkov, V., Bock, A., Bolzonella, T., Bortolon, A., Boswirth, B., Bottereau, C., Bottino, A., Van Den Brand, H., Brezinsek, S., Brida, D., Brochard, F., Bruhn, C., Buchanan, J., Buhler, A., Burckhart, A., Camenen, Y., Carlton, D., Carr, M., Carralero, D., Castaldo, C., Cavedon, M., Cazzaniga, C., Ceccuzzi, S., Challis, C., Chankin, A., Chapman, S., Cianfarani, C., Clairet, F., Coda, S., Coelho, R., Coenen, J. W., Colas, L., Conway, G. D., Costea, S., Coster, D. P., Cote, T. B., Creely, A., Croci, G., Cseh, G., Czarnecka, A., Cziegler, I., D'Arcangelo, O., David, P., Day, C., Delogu, R., De Marne, P., Denk, S. S., Denner, P., Dibon, M., Di Siena, A., Douai, D., Drenik, A., Drube, R., Dunne, M., Duval, B. P., Dux, R., Eich, T., Elgeti, S., Engelhardt, K., Erdos, B., Erofeev, I., Esposito, B., Fable, E., Faitsch, M., Fantz, U., Faugel, H., Faust, I., Felici, F., Ferreira, J., Fietz, S., Figuereido, A., Fischer, R., Ford, O., Frassinetti, L., Freethy, S., Froschle, M., Fuchert, G., Fuchs, J. C., Funfgelder, H., Galazka, K., Galdon-Quiroga, J., Gallo, A., Gao, Y., Garavaglia, S., Garcia-Carrasco, A., Garcia-Munoz, M., Geiger, B., Giannone, L., Gil, L., Giovannozzi, E., Gleason-Gonzalez, C., Gloggler, S., Gobbin, M., Gorler, T., Gomez Ortiz, I., Gonzalez Martin, J., Goodman, T., Gorini, G., Gradic, D., Grater, A., Granucci, G., Greuner, H., Griener, M., Groth, M., Gude, A., Gunter, S., Guimarais, L., Haas, G., Hakola, A. H., Ham, C., Happel, T., Den Harder, N., Harrer, G. F., Harrison, J., Hauer, V., Hayward-Schneider, T., Hegna, C. C., Heinemann, B., Heinzel, S., Hellsten, T., Henderson, S., Hennequin, P., Herrmann, A., Heyn, M. F., Heyn, E., Hitzler, F., Hobirk, J., Hofler, K., Holzl, M., Hoschen, T., Holm, J. H., Hopf, C., Hornsby, W. A., Horvath, L., Houben, A., Huber, A., Igochine, V., Ilkei, T., Ivanova-Stanik, I., Jacob, W., Jacobsen, A. S., Janky, F., Jansen Van Vuuren, A., Jardin, A., Jaulmes, F., Jenko, F., Jensen, T., Joffrin, E., Kasemann, C. -P., Kallenbach, A., Kalvin, S., Kantor, M., Kappatou, A., Kardaun, O., Karhunen, J., Kasilov, S., Kazakov, Y., Kernbichler, W., Kirk, A., Kjer Hansen, S., Klevarova, V., Kocsis, G., Kohn, A., Koubiti, M., Krieger, K., Krivska, A., Kramer-Flecken, A., Kudlacek, O., Kurki-Suonio, T., Kurzan, B., Labit, B., Lackner, K., Laggner, F., Lang, P. T., Lauber, P., Lebschy, A., Leuthold, N., Li, M., Linder, O., Lipschultz, B., Liu, F., Liu, Y., Lohs, A., Lu, Z., Luda Di Cortemiglia, T., Luhmann, N. C., Lunsford, R., Lunt, T., Lyssoivan, A., Maceina, T., Madsen, J., Maggiora, R., Maier, H., Maj, O., Mailloux, J., Maingi, R., Maljaars, E., Manas, P., Mancini, A., Manhard, A., Manso, M. -E., Mantica, P., Mantsinen, M., Manz, P., Maraschek, M., Martens, C., Martin, P., Marrelli, L., Martitsch, A., Mayer, M., Mazon, D., Mccarthy, P. J., Mcdermott, R., Meister, H., Medvedeva, A., Merkel, R., Merle, A., Mertens, V., Meshcheriakov, D., Meyer, O., Miettunen, J., Milanesio, D., Mink, F., Mlynek, A., Monaco, F., Moon, C., Nabais, F., Nemes-Czopf, A., Neu, G., Neu, R., Nielsen, A. H., Nielsen, S. K., Nikolaeva, V., Nocente, M., Noterdaeme, J. -M., Novikau, I., Nowak, S., Oberkofler, M., Oberparleiter, M., Ochoukov, R., Odstrcil, T., Olsen, J., Orain, F., Palermo, F., Pan, O., Papp, G., Paradela Perez, I., Pau, A., Pautasso, G., Penzel, F., Petersson, P., Pinzon Acosta, J., Piovesan, P., Piron, C., Pitts, R., Plank, U., Plaum, B., Ploeckl, B., Plyusnin, V., Pokol, G., Poli, E., Porte, L., Potzel, S., Prisiazhniuk, D., Putterich, T., Ramisch, M., Rasmussen, J., Ratta, G. A., Ratynskaia, S., Raupp, G., Ravera, G. L., Refy, D., Reich, M., Reimold, F., Reiser, D., Ribeiro, T., Riesch, J., Riedl, R., Rittich, D., Rivero-Rodriguez, J. F., Rocchi, G., Rodriguez-Ramos, M., Rohde, V., Ross, A., Rott, M., Rubel, M., Ryan, D., Ryter, F., Saarelma, S., Salewski, M., Salmi, A., Sanchis-Sanchez, L., Santos, J., Sauter, O., Scarabosio, A., Schall, G., Schmid, K., Schmitz, O., Schneider, P. A., Schrittwieser, R., Schubert, M., Schwarz-Selinger, T., Schweinzer, J., Scott, B., Sehmer, T., Seliunin, E., Sertoli, M., Shabbir, A., Shalpegin, A., Shao, L., Sharapov, S., Sias, G., Siccinio, M., Sieglin, B., Sigalov, A., Silva, A., Silva, C., Silvagni, D., Simon, P., Simpson, J., Smigelskis, E., Snicker, A., Sommariva, C., Sozzi, C., Spolaore, M., Stegmeir, A., Stejner, M., Stober, J., Stroth, U., Strumberger, E., Suarez, G., Sun, H. -J., Suttrop, W., Sytova, E., Szepesi, T., Tal, B., Tala, T., Tardini, G., Tardocchi, M., Teschke, M., Terranova, D., Tierens, W., Thoren, E., Told, D., Tolias, P., Tudisco, O., Treutterer, W., Trier, E., Tripsky, M., Valisa, M., Valovic, M., Vanovac, B., Van Vugt, D., Varoutis, S., Verdoolaege, G., Vianello, N., Vicente, J., Vierle, T., Viezzer, E., Von Toussaint, U., Wagner, D., Wang, N., Wang, X., Weiland, M., White, A. E., Wiesen, S., Willensdorfer, M., Wiringer, B., Wischmeier, M., Wolf, R., Wolfrum, E., Xiang, L., Yang, Q., Yang, Z., Yu, Q., Zagorski, R., Zammuto, I., Zhang, W., Van Zeeland, M., Zehetbauer, T., Zilker, M., Zoletnik, S., Zohm, H., ASDEX Upgrade Team, Max Planck Institute for Plasma Physics, Max Planck Society, and EUROfusion MST1 Team
Subjects: Magnetic confinement, Edge-localized modes (ELMs), Nuclear engineering, PLASMAS, Nuclear physics, 01 natural sciences, 010305 fluids & plasmas, ASDEX Upgrade, ITER, MODE, Physics, iter, Divertor, magnetic confinement, Magnetic confinement fusion, mode, Dissipation, Condensed Matter Physics, ddc, Tokamak physics, Física nuclear, tokamak physics, Tokamaks, FLUX, Nuclear and High Energy Physics, Technology and Engineering, DEMO, nuclear fusion, Electron cyclotron resonance, Resonant magnetic perturbations, Physics::Plasma Physics, 0103 physical sciences, Nuclear fusion, ddc:530, 010306 general physics, SOLID TUNGSTEN DIVERTOR, Física [Àrees temàtiques de la UPC], demo, plasmas, solid tungsten divertor, flux, ___, HEAVY ALLOYS, Magnetohydrodynamics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], heavy alloys
Abstract: The ASDEX Upgrade (AUG) programme, jointly run with the EUROfusion MST1 task force, continues to significantly enhance the physics base of ITER and DEMO. Here, the full tungsten wall is a key asset for extrapolating to future devices. The high overall heating power, flexible heating mix and comprehensive diagnostic set allows studies ranging from mimicking the scrape-off-layer and divertor conditions of ITER and DEMO at high density to fully non-inductive operation (q95 = 5.5, ) at low density. Higher installed electron cyclotron resonance heating power 6 MW, new diagnostics and improved analysis techniques have further enhanced the capabilities of AUG. Stable high-density H-modes with MW m−1 with fully detached strike-points have been demonstrated. The ballooning instability close to the separatrix has been identified as a potential cause leading to the H-mode density limit and is also found to play an important role for the access to small edge-localized modes (ELMs). Density limit disruptions have been successfully avoided using a path-oriented approach to disruption handling and progress has been made in understanding the dissipation and avoidance of runaway electron beams. ELM suppression with resonant magnetic perturbations is now routinely achieved reaching transiently . This gives new insight into the field penetration physics, in particular with respect to plasma flows. Modelling agrees well with plasma response measurements and a helically localised ballooning structure observed prior to the ELM is evidence for the changed edge stability due to the magnetic perturbations. The impact of 3D perturbations on heat load patterns and fast-ion losses have been further elaborated. Progress has also been made in understanding the ELM cycle itself. Here, new fast measurements of and Er allow for inter ELM transport analysis confirming that Er is dominated by the diamagnetic term even for fast timescales. New analysis techniques allow detailed comparison of the ELM crash and are in good agreement with nonlinear MHD modelling. The observation of accelerated ions during the ELM crash can be seen as evidence for the reconnection during the ELM. As type-I ELMs (even mitigated) are likely not a viable operational regime in DEMO studies of 'natural' no ELM regimes have been extended. Stable I-modes up to have been characterised using -feedback. Core physics has been advanced by more detailed characterisation of the turbulence with new measurements such as the eddy tilt angle—measured for the first time—or the cross-phase angle of and fluctuations. These new data put strong constraints on gyro-kinetic turbulence modelling. In addition, carefully executed studies in different main species (H, D and He) and with different heating mixes highlight the importance of the collisional energy exchange for interpreting energy confinement. A new regime with a hollow profile now gives access to regimes mimicking aspects of burning plasma conditions and lead to nonlinear interactions of energetic particle modes despite the sub-Alfvénic beam energy. This will help to validate the fast-ion codes for predicting ITER and DEMO. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014–2018 and 2019–2020 under grant agreement No. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. "Article signat per més de 100 autors/es: H. Meyer, for the AUG Team: D. Aguiam, C. Angioni, C.G. Albert, N. Arden, R. Arredondo Parra, O. Asunta, M. de Baar, M. Balden, V. Bandaru, K. Behler, A. Bergmann, J. Bernardo, M. Bernert, A. Biancalani, R. Bilato, G. Birkenmeier, T.C. Blanken, V. Bobkov, A. Bock, T. Bolzonella, A. Bortolon, B. Böswirth, C. Bottereau, A. Bottino, H. van den Brand, S. Brezinsek, D. Brida, F. Brochard, C. Bruhn, J. Buchanan, A. Buhler, A. Burckhart, Y. Camenen, D. Carlton, M. Carr, D. Carralero, C. Castaldo, M. Cavedon, C. Cazzaniga, S. Ceccuzzi, C. Challis, A. Chankin, S. Chapman, C. Cianfarani, F. Clairet, S. Coda, R. Coelho, J.W. Coenen, L. Colas, G.D. Conway, S. Costea, D.P. Coster, T.B. Cote, A. Creely, G. Croci, G. Cseh, A. Czarnecka, I. Cziegler, O. D'Arcangelo, P. David, C. Day, R. Delogu, P. de Marné, S.S. Denk, P. Denner, M. Dibon, A. Di Siena, D. Douai, A. Drenik, R. Drube, M. Dunne, B.P. Duval, R. Dux, T. Eich, S. Elgeti, K. Engelhardt, B. Erdös, I. Erofeev, B. Esposito, E. Fable, M. Faitsch, U. Fantz, H. Faugel, I. Faust, F. Felici, J. Ferreira, S. Fietz, A. Figuereido, R. Fischer, O. Ford, L. Frassinetti, S. Freethy, M. Fröschle, G. Fuchert, J.C. Fuchs, H. Fünfgelder, K. Galazka, J. Galdon-Quiroga, A. Gallo, Y. Gao, S. Garavaglia, A. Garcia-Carrasco, M. Garcia-Muñoz, B. Geiger, L. Giannone, L. Gil, E. Giovannozzi, C. Gleason-González, S. Glöggler, M. Gobbin, T. Görler, I. Gomez Ortiz, J. Gonzalez Martin, T. Goodman, G. Gorini, D. Gradic, A. Gräter, G. Granucci, H. Greuner, M. Griener, M. Groth, A. Gude, S. Günter, L. Guimarais, G. Haas, A.H. Hakola, C. Ham, T. Happel, N. den Harder, G.F. Harrer, J. Harrison, V. Hauer, T. Hayward-Schneider, C.C. Hegna, B. Heinemann, S. Heinzel, T. Hellsten, S. Henderson, P. Hennequin, A. Herrmann, M.F. Heyn, E. Heyn, F. Hitzler, J. Hobirk, K. Höfler, M. Hölzl, T. Höschen, J.H. Holm, C. Hopf, W.A. Hornsby, L. Horvath, A. Houben, A. Huber, V. Igochine, T. Ilkei, I. Ivanova-Stanik, W. Jacob, A.S. Jacobsen, F. Janky, A. Jansen van Vuuren, A. Jardin, F. Jaulmes, F. Jenko, T. Jensen, E. Joffrin, C.-P. Käsemann, A. Kallenbach, S. Kálvin, M. Kantor, A. Kappatou, O. Kardaun, J. Karhunen, S. Kasilov,, Y. Kazakov, W. Kernbichler, A. Kirk, S. Kjer Hansen, V. Klevarova, G. Kocsis, A. Köhn, M. Koubiti, K. Krieger, A. Krivska, A. Krämer-Flecken, O. Kudlacek, T. Kurki-Suonio, B. Kurzan, B. Labit, K. Lackner, F. Laggner, P.T. Lang, P. Lauber, A. Lebschy, N. Leuthold, M. Li, O. Linder, B. Lipschultz, F. Liu, Y. Liu, A. Lohs, Z. Lu, T. Luda di Cortemiglia, N.C. Luhmann, R. Lunsford, T. Lunt, A. Lyssoivan, T. Maceina, J. Madsen, R. Maggiora, H. Maier, O. Maj, J. Mailloux, R. Maingi, E. Maljaars, P. Manas, A. Mancini, A. Manhard, M.-E. Manso, P. Mantica, M. Mantsinen, P. Manz, M. Maraschek, C. Martens, P. Martin, L. Marrelli, A. Martitsch, M. Mayer, D. Mazon, P.J. McCarthy, R. McDermott, H. Meister, A. Medvedeva, R. Merkel, A. Merle, V. Mertens, D. Meshcheriakov, O. Meyer, J. Miettunen, D. Milanesio, F. Mink, A. Mlynek, F. Monaco, C. Moon, F. Nabais, A. Nemes-Czopf, G. Neu, R. Neu, A.H. Nielsen, S.K. Nielsen, V. Nikolaeva, M. Nocente, J.-M. Noterdaeme, I. Novikau, S. Nowak, M. Oberkofler, M. Oberparleiter, R. Ochoukov, T. Odstrcil, J. Olsen, F. Orain, F. Palermo, O. Pan, G. Papp, I. Paradela Perez, A. Pau, G. Pautasso, F. Penzel, P. Petersson, J. Pinzón Acosta, P. Piovesan, C. Piron, R. Pitts, U. Plank, B. Plaum, B. Ploeckl, V. Plyusnin, G. Pokol, E. Poli, L. Porte, S. Potzel, D. Prisiazhniuk, T. Pütterich, M. Ramisch, J. Rasmussen, G.A. Rattá, S. Ratynskaia, G. Raupp, G.L. Ravera, D. Réfy, M. Reich, F. Reimold, D. Reiser, T. Ribeiro, J. Riesch, R. Riedl, D. Rittich, J.F. Rivero-Rodriguez, G. Rocchi, M. Rodriguez-Ramos, V. Rohde, A. Ross1, M. Rott, M. Rubel, D. Ryan, F. Ryter, S. Saarelma, M. Salewski, A. Salmi, L. Sanchis-Sanchez, J. Santos, O. Sauter, A. Scarabosio, G. Schall, K. Schmid, O. Schmitz, P.A. Schneider, R. Schrittwieser, M. Schubert, T. Schwarz-Selinger, J. Schweinzer, B. Scott, T. Semer, E. Seliunin, M. Sertoli, A. Shabbir, A. Shalpegin, L. Shao, S. Sharapov, G. Sias, M. Siccinio, B. Sieglin, A. Sigalov, A. Silva, C. Silva, D. Silvagni, P. Simon, J. Simpson, E. Smigelskis, A. Snicker, C. Sommariva, C. Sozzi, M. Spolaore, A. Stegmeir, M. Stejner, J. Stober, U. Stroth, E. Strumberger, G. Suarez, H.-J. Sun, W. Suttrop, E. Sytova, T. Szepesi, B. Tál, T. Tala, G. Tardini, M. Tardocchi, M. Teschke, D. Terranova, W. Tierens, E. Thorén, D. Told, P. Tolias, O. Tudisco, W. Treutterer, E. Trier, M. Tripský, M. Valisa, M. Valovic, B. Vanovac, D. van Vugt, S. Varoutis, G. Verdoolaege, N. Vianello, J. Vicente, T. Vierle, E. Viezzer, U. von Toussaint, D. Wagner, N. Wang, X. Wang, M. Weiland, A.E. White, S. Wiesen, M. Willensdorfer, B. Wiringer, M. Wischmeier, R. Wolf, E. Wolfrum, L. Xiang, Q. Yang, Z. Yang, Q. Yu, R. Zagórski, I. Zammuto, W. Zhang, M. van Zeeland, T. Zehetbauer, M. Zilker, S. Zoletnik, H. Zohm and the EUROfusion MST1 Team55
Published: 2018

32. Optimization Employing Gaussian Process-Based Surrogates

Author: Roland Preuss and U. von Toussaint
Subjects: Hyperparameter, Mathematical optimization, Optimization problem, Computer science, media_common.quotation_subject, Bayesian probability, Process (computing), Bayesian inference, symbols.namesake, symbols, Function (engineering), Global optimization, Gaussian process, media_common
Abstract: The optimization of complex plasma-wall interaction and material science models is tantamount with long-running and expensive computer simulations. This indicates the use of surrogate-based methods in the optimization process. A Gaussian process (GP)-based Bayesian adaptive exploration method has been developed and validated on mock examples. The self-consistent adjustment of hyperparameters according to the information present in the data turns out to be the main benefit from the Bayesian approach. While the overall properties and performance is favorable (in terms of expensive function evaluations), the optimal balance between local and global exploitation still mandates further research for strongly multimodal optimization problems.
Published: 2018

33. Probabilistic Inference of Surface Heat Flux Densities from Infrared Thermography

Author: B. Sieglin, U. von Toussaint, D. Nille, M. Faitsch, and ASDEX Upgrade Team, Max Planck Institute for Plasma Physics, Max Planck Society
Subjects: Materials science, Magnetic confinement fusion, 010103 numerical & computational mathematics, Plasma, Mechanics, 01 natural sciences, 7. Clean energy, 010305 fluids & plasmas, Heat flux, 13. Climate action, 0103 physical sciences, Thermography, Melting point, Nuclear fusion, Heat equation, Boundary value problem, 0101 mathematics
Abstract: In nuclear fusion research, based on the magnetic confinement, the determination of the heat flux density distribution onto the plasma facing components is important. The heat load poses the threat of damaging the components. The heat flux distribution is a footprint of the transport mechanisms in the plasma, which are still to be understood. Obtaining the heat flux density is an ill-posed problem. Most common is a measurement of the surface temperature by means of infrared thermography. Solving the heat diffusion equation in the target material with measured temperature information as boundary condition allows to determine the surface heat load distribution. A Bayesian analysis tool is developed as an alternative to deterministic tools, which aim for fast evaluation. The probabilistic evaluation uses adaptive kernels to model the heat flux distribution. They allow for self-consistent determination of the effective Degree of Freedom, depending on the quality of the measurement. This is beneficial, as the signal-to-noise ratio depends on the surface temperatures, ranging from room temperatures up to the melting point of tungsten.
Published: 2018
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34. Hydrocarbon film deposition inside cavity samples in remote areas of the JET divertor during the 1999–2001 and 2005–2009 campaigns

Author: Jet-Efda Contributors, M. Mayer, Anna Widdowson, A. A. Pisarev, S. A. Krat, U. von Toussaint, P. Coad, Yu. M. Gasparyan, and JET-EFDA Contributors
Subjects: chemistry.chemical_classification, Nuclear and High Energy Physics, Jet (fluid), Divertor, chemistry.chemical_element, Hydrocarbon, Nuclear Energy and Engineering, chemistry, Deuterium, General Materials Science, Beryllium, Atomic physics, Carbon, Layer (electronics), Deposition (chemistry)
Abstract: Hydrocarbon film deposition was studied with cavity samples in remote areas of the inner and outer JET divertor and below the divertor septum during the 1999–2001 and 2005–2009 campaigns. Thick hydrocarbon films were formed inside the cavities. These deposited hydrocarbon layers have high D/C ratios close to 1. The formation of these films is mainly due to sticking of hydrocarbon particles with high surface loss probabilities >0.6. The observed surface loss probabilities depend on the position in the divertor and vary during different campaigns. The particles responsible for hydrocarbon layer formation originate from the divertor strike points. Except for the septum cavity the deposition of beryllium was very low and showed a very different distribution from that of deuterium and carbon.
Published: 2015

35. First-passage kinetic Monte Carlo on lattices: Hydrogen transport in lattices with traps

Author: Thomas Schwarz-Selinger, U. von Toussaint, and Karl Schmid
Subjects: Nuclear and High Energy Physics, Chemistry, chemistry.chemical_element, One-Step, Cubic crystal system, Tungsten, Nuclear Energy and Engineering, Orders of magnitude (time), Deuterium, Dynamic Monte Carlo method, General Materials Science, Physics::Atomic Physics, Kinetic Monte Carlo, Diffusion (business), Atomic physics
Abstract: A new algorithm for the diffusion in 2D and 3D discrete simple cubic lattices based on a recently proposed technique, Green-functions or first-passage kinetic Monte Carlo has been developed. It is based on the solutions of appropriately chosen Greens functions, which propagate the diffusing atoms over long distances in one step (superhops). The speed-up of the new approach over standard kinetic Monte Carlo techniques can be orders of magnitude, depending on the problem. Using this new algorithm we simulated recent hydrogen isotope exchange experiments in recrystallized tungsten at 320 K, initially loaded with deuterium. It was found that the observed depth profiles can only be explained with ‘active’ traps, i.e. traps capable of exchanging atoms with activation energies significantly lower than the actual trap energy. Such a mechanism has so far not been considered in the modeling of hydrogen transport.
Published: 2015

36. Influence of near-surface blisters on deuterium transport in tungsten

Author: M. Balden, Karl Schmid, Armin Manhard, J. Bauer, U. von Toussaint, and Thomas Schwarz-Selinger
Subjects: 010302 applied physics, Nuclear and High Energy Physics, Materials science, Hydrogen, Scanning electron microscope, Analytical chemistry, Flux, chemistry.chemical_element, Blisters, Context (language use), Tungsten, Condensed Matter Physics, 01 natural sciences, 010305 fluids & plasmas, Deuterium, chemistry, Nuclear reaction analysis, 0103 physical sciences, medicine, medicine.symptom
Abstract: The effect of near-surface blisters on deuterium transport in tungsten is studied by means of nuclear reaction analysis (NRA) and scanning electron microscopy (SEM). Gentle deuterium plasma loading of different durations and subsequent NRA depth profiling is performed in heavily pre-blistered and unblistered areas on self-damaged tungsten samples. Comparison of the deuterium depth profiles reveals a considerable reduction of the deuterium transport into the bulk due to the presence of near-surface blisters. SEM and NRA results identify the enhanced re-emission of deuterium from the sample due to open blisters as the underlying mechanism, which reduces the deuterium flux into the bulk. Based on a simple analytical hydrogen retention model, the re-emitted deuterium flux by open blisters is determined to be 80% of the implanted deuterium flux in the present conducted experiment. In addition, the deuterium flux into the bulk is reduced by 60% compared to the unblistered case. Hence the presence of blisters is not a general disadvantage in the context of retention, but can be beneficial in slowing down the build up of a certain hydrogen inventory and in reducing the permeation flux.
Published: 2017
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37. Parallel computation of Gaussian processes

Author: Roland Preuss and U. von Toussaint
Subjects: Mathematical optimization, Exploit, Computer science, business.industry, 020206 networking & telecommunications, 02 engineering and technology, Function (mathematics), Machine learning, computer.software_genre, 01 natural sciences, 010305 fluids & plasmas, Set (abstract data type), symbols.namesake, 0103 physical sciences, 0202 electrical engineering, electronic engineering, information engineering, symbols, Artificial intelligence, Parallel running, business, Gaussian process, computer, Selection (genetic algorithm), Computer technology, Parametric statistics
Abstract: Within the Bayesian framework we utilize Gaussian processes for parametric studies of long running computer codes. Since the simulations are expensive it is necessary to exploit the computational budget in the best possible manner. Employing the sum over variances – being indicators for the quality of the fit – as the utility function we established an optimized and automated sequential parameter selection procedure. However, often it is also desirable to utilize the parallel running capabilities of present computer technology and abandon the sequential parameter selection for a faster overall turn-around time (wall-clock time). The paper proposes to achieve this by marginalizing over the expected outcomes at optimized test points in order to set up a pool of starting values for batch execution.
Published: 2017

38. Selected proofs and derivations

Author: Volker Dose, W. von der Linden, and U. von Toussaint
Subjects: Calculus, Mathematical proof, Mathematics, Neyman pearson
Published: 2014

39. Fluence dependent changes of erosion yields and surface morphology of the iron-tungsten model system: SDTrimSP-2D simulation studies

Author: U. von Toussaint and Andreas Mutzke
Subjects: Nuclear and High Energy Physics, Surface enrichment, Materials science, Plasma-facing materials, Materials Science (miscellaneous), Monte Carlo method, chemistry.chemical_element, Tungsten, 01 natural sciences, Fluence, 010305 fluids & plasmas, Monte Carlo simulations, TRIM, Sputtering, 0103 physical sciences, Homogeneity (physics), Sputter yield, Fusion, 010302 applied physics, First wall, lcsh:TK9001-9401, Crystallography, Nuclear Energy and Engineering, chemistry, Deuterium, Chemical physics, Martensite, lcsh:Nuclear engineering. Atomic power
Abstract: The effect of different sample structures of an iron-tungsten model system (as a surrogate for reduced activation ferritic martensitic steels like EUROFER) on the development of surface morphologies, tungsten surface enrichment and sputter yields under low-energy monoenergetic perpendicular 200 eV deuterium bombardment has been studied with SDTrimSP-2d simulations. Previous modeling studies considering diffusive effects also could reasonably reproduce and explain the experimental results for a large set of experimental parameters like temperature, flux and sample concentration. However, for settings with negligible Fe-W-interdiffusion the fluence needed for steady-state conditions differed between the experiments and the simulations. Thus, the main focus of the present study is directed towards the elucidation of this fluence mismatch. Comparison of one and two-dimensional simulation results reveal a strong dependency of the tungsten enrichment on the sample homogeneity and a significantly delayed reduction of the erosion yield due to a pronounced formation of surface structures from initially flat sample surfaces. Keywords: Fusion, Plasma-facing materials, Sputter yield, First wall, Monte Carlo simulations, Surface enrichment, TRIM
Published: 2016
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40. Results and consequences of high heat flux testing as quality assessment of the Wendelstein 7-X divertor

Author: B. Böswirth, H. Greuner, J. Boscary, Th. Friedrich, A.T. Peacock, and U. von Toussaint
Subjects: Quality assessment, Mechanical Engineering, Nuclear engineering, Divertor, Flux, Heat sink, Test effort, Nuclear Energy and Engineering, Thermal, Environmental science, General Materials Science, Wendelstein 7-X, High heat, Civil and Structural Engineering
Abstract: The series manufacturing of the first 282 Wendelstein 7-X divertor elements was concluded in 2011. The divertor is designed to remove a steady-state heat load of 10 MW/m2. 940 target elements of five different types made of CuCrZr heat sinks and covered with 16,000 CFC NB31 flat-tiles have to be produced. Additional to quality assessment during the manufacturing process, a final assessment of the delivered elements with operational heat load is indispensable to ensure a constant high thermal performance of the installed divertor. Based on the results of the pre-series testing a statistical quality assessment method has been developed for the series production. The application of this method to the series elements ensures their thermal performance with reasonable high heat flux test effort.
Published: 2013

41. Investigations on Bayesian uncertainty quantification with two examples

Author: Roland Preuss and U. von Toussaint
Subjects: Mathematical optimization, Hermite polynomials, Stochastic process, Gaussian, 01 natural sciences, Projection (linear algebra), 010305 fluids & plasmas, Noise, symbols.namesake, 0103 physical sciences, symbols, Applied mathematics, Gaussian quadrature, Orthonormal basis, Uncertainty quantification, 010306 general physics, Mathematics
Abstract: Input quantities for the numerical simulation of fusion plasmas involve field quantities which are hampered by noise. In order to compare data from experiment to model results, or to have an estimation of the fluctuation margin of a model prediction, a quantification of the uncertainties is necessary. Within a discrete projection framework we employ a spectral expansion to represent the random process responsible for the noise. Since Gaussian distributed noise is assumed Hermite polynomials are chosen for the orthonormal basis system. The coefficients are calculated from collocation points defined by Gaussian quadrature in a non-intrusive approach. An instructive example of absorption in media serves for the validation of the procedure. Finally the method is applied to the Vlasov-Poisson model describing electrostatic plasmas, which will be influenced by an uncertain external field.
Published: 2016

42. Interaction of deuterium plasma with sputter-deposited tungsten nitride films

Author: T. Dürbeck, Till Höschen, Gerd Meisl, U. von Toussaint, L. Gao, Thomas Schwarz-Selinger, and Wolfgang Jacob
Subjects: 010302 applied physics, Nuclear and High Energy Physics, Ion beam analysis, Materials science, Argon, Analytical chemistry, chemistry.chemical_element, Tungsten, Condensed Matter Physics, 01 natural sciences, 010305 fluids & plasmas, Ion, chemistry.chemical_compound, chemistry, Sputtering, Nuclear reaction analysis, 0103 physical sciences, Atomic physics, Penetration depth, Tungsten nitride
Abstract: Magnetron-sputtered tungsten nitride (WN x ) films were used as a model system to study the behaviour of re-deposited WN x layers which could form in fusion devices with tungsten (W) wall during nitrogen seeding. The interaction of such WN x layers with deuterium (D) plasmas was investigated in dedicated laboratory experiments. D retention and N removal due to D plasma exposure (D flux: 9.9 × 1019 D m−2 s−1, ion energy 215 eV) at different temperatures were measured with ion beam analysis (IBA). Low-energy argon sputtering followed by IBA was applied to resolve the D distribution in the top-most surface of WN x with significantly improved depth resolution compared with the standard D depth profiling method by nuclear reaction analysis. Experimentally determined thicknesses for the penetration of D in WN x were compared with the penetration depth for D calculated in SDTrimSP simulations. Results show that D is only retained within the ion penetration range for samples exposed at 300 K. In contrast to the 300 K case, D diffuses beyond the implantation depth in a sample exposed at 600 K. However, the D penetration depth is much lower than in pure W at comparable conditions. The total amount of retained D in WN x at 600 K is by 50% lower than for implantation at 300 K with the same D fluence. Nitrogen is removed only within the D ion range.
Published: 2016

43. Performance and statistical quality assessment of CFC tile bonding on the pre-series elements of the Wendelstein 7-X divertor

Author: H. Greuner, U. von Toussaint, J. Boscary, A.T. Peacock, B. Böswirth, Hannes Traxler, and H. Maier
Subjects: Materials science, Screening test, Mechanical Engineering, Nuclear engineering, Divertor, Statistical quality, Nuclear Energy and Engineering, visual_art, visual_art.visual_art_medium, General Materials Science, Statistical analysis, Tile, Wendelstein 7-X, High heat, Civil and Structural Engineering
Abstract: Extensive high heat flux (HHF) testing of pre-series IV targets was performed to establish the industrial process for the ongoing production of the actively water-cooled target elements which will be needed for the installation of the Wendelstein 7-X (W7-X) divertor. Finally, 890 components covered with about 18,000 CFC tiles will be installed. The examinations of the elements with 10 MW/m2 cycling up to 10,000 pulses, 16 MW/m2 cycling and screening tests up to 32 MW/m2, confirm the robustness of the design and in particular of the applied CFC bonding technology. The results of the IR examination of the initial tests have been assessed statistically. The paper presents a detailed statistical analysis based on the Six-Sigma method of the surface temperature increase of the CFC tiles tested for 100 cycles at 10 MW/m2. Assuming that the series elements will behave in a similar fashion to the pre-series elements this statistical assessment can also be performed for the series elements.
Published: 2011

44. Bayesian inference in physics

Author: U. von Toussaint
Subjects: Physics, business.industry, Bayesian econometrics, General Physics and Astronomy, Bayesian inference, Machine learning, computer.software_genre, Variable-order Bayesian network, Bayesian statistics, Predictive inference, Frequentist inference, Fiducial inference, Artificial intelligence, business, computer, Dynamic Bayesian network
Published: 2011

45. Fit formulas for the angular dependence of the sticking coefficient of energetic hydrocarbon molecules

Author: U. von Toussaint, K. Tichmann, and Wolfgang Jacob
Subjects: chemistry.chemical_classification, Surface (mathematics), Nuclear and High Energy Physics, Sticking coefficient, Projectile, Molecular physics, Amorphous solid, Molecular dynamics, Hydrocarbon, Nuclear Energy and Engineering, chemistry, Computational chemistry, Molecule, General Materials Science, Interpolation
Abstract: The angular dependence of the sticking coefficient of CH x projectiles on a prototypical amorphous hydrocarbon surface was studied using molecular dynamics. The resulting datasets are fitted to appropriate fit formulas to allow interpolation and lookup of sticking coefficients at arbitrary parameter values.
Published: 2011

46. Erosion of a-C:D thin films by low energy D+, D2+, and D3+ ion beam irradiation

Author: Fred W Meyer, U. von Toussaint, Hengda Zhang, Thomas Schwarz-Selinger, Wolfgang Jacob, and Peter R Harris
Subjects: Nuclear and High Energy Physics, Range (particle radiation), Nuclear Energy and Engineering, Chemistry, Ellipsometry, Sputtering, Analytical chemistry, General Materials Science, Production (computer science), Irradiation, Thin film, Energy (signal processing), Ion
Abstract: We report measurements of total C sputtering yields for room temperature a-C:D thin films irrradiated by equal velocity D{sup +}, D{sub 2}{sup +}, and D{sub 3}{sup +} beams in the energy range 30-200 eV/D. The C sputtering yields were deduced from crater volumes determined from 2-D ellipsometry scans, the known thin film C density, and the measured total number of incident D particles during the beam exposures. While our results for incident D{sub 3}{sup +} ions are in good agreement with mass loss measurements for D{sub 3}{sup +}, our results for D{sub 2}{sup +} and D{sup +} incident ions fall systematically below the D{sub 3}{sup +} results, indicating a significant molecular size effect. A molecular size effect has been previously found for CD{sub 4} production during low energy impact of same velocity D{sup +}, D{sub 2}{sup +}, and D{sub 3}{sup +} ions incident on ATJ graphite, which, however, was smaller in magnitude. The ellipsometry-based total C sputtering yields are compared with recently deduced total C production yields based on a mass spectroscopy approach.
Published: 2011

47. Molecular size effect in the chemical sputtering of a-C:H thin films by low energy H+, , and ions

Author: U. von Toussaint, Peter R Harris, Wolfgang Jacob, Thomas Schwarz-Selinger, and Fred W Meyer
Subjects: Nuclear and High Energy Physics, Range (particle radiation), Analytical chemistry, chemistry.chemical_element, Mass spectrometry, Methane, Ion, chemistry.chemical_compound, chemistry, Sputtering, Ellipsometry, Thin film, Instrumentation, Carbon
Abstract: We have experimentally determined total carbon yields per incident H atom in the energy range 36–300 eV/H for H+, H 2 + , and H 3 + projectiles incident normally on ∼60 nm thick a-C:H films, using 2-D ellipsometry determination of erosion crater volumes ex vacuo, the separately characterized thin film carbon density, and the incident beam current integration accumulated on target during the crater evolution. During each beam exposure, methane production was monitored using in situ quadrupole mass spectrometry (QMS). The present total carbon yields/H for incident H 3 + ions obtained via ellipsometry are in agreement with total mass loss measurements for H 3 + by Balden and Roth [1] over the investigated energy range. The observed methane production per incident H for the molecular ions exhibits molecular size effects over the entire energy range investigated, confirming the trend observed in the ellipsometry-based total C yields/H.
Published: 2011

48. Optimizing NRA depth profiling using Bayesian experimental design

Author: Thomas Schwarz-Selinger, M. Mayer, U. von Toussaint, and S. Gori
Subjects: Nuclear and High Energy Physics, Computer science, Nuclear reaction analysis, Bayesian experimental design, Profiling (information science), Information gain, Instrumentation, Algorithm, Bayesian probability theory
Abstract: Nuclear reaction analysis with 3 He holds the promise to derive Deuterium depth profiles up to large depths from a set of measurements with different energies. Unfortunately, the extraction of the depth profile from the measured data is very sensitive to the quality of the data and the commonly chosen set of equispaced energies is in hindsight often noticeably inferior to other choices. However, recent advances in Bayesian experimental design together with increased computing power allow to optimize the measurement strategy ‘on-the-fly’, taking into account the results of previous measurements to select the best energy for the next measurement and to compute the expected information gain from further measurements. As example depth profiling of Deuterium in tungsten is presented and the results of the different measurement strategies are compared.
Published: 2010

49. Skewness of energy-loss straggling and multiple-scattering energy distributions

Author: M. Mayer, U. von Toussaint, and Kai Arstila
Subjects: Physics, Nuclear and High Energy Physics, Ion beam analysis, Scattering, Gaussian, Spectral line, Ion, Normal distribution, symbols.namesake, Skewness, symbols, Statistical physics, Instrumentation, Energy (signal processing)
Abstract: Energy spread distributions due to electronic energy-loss straggling and multiple small-angle scattering of swift ions in matter are approximated by asymmetric Gaussian functions consisting of two-piece normal distributions. These skewed energy distributions approximate the distributions more accurately than the conventional approximation by Gaussian functions. The results are compared to experimental data and Monte-Carlo simulations using the MCERD code and are in good agreement. The use of these skewed distributions allows to achieve a higher accuracy in the computer simulation of ion beam analysis energy spectra.
Published: 2010

50. Sputtering of rough surfaces: a 3D simulation study

Author: A Mutzke, Armin Manhard, and U. von Toussaint
Subjects: Surface (mathematics), Materials science, Yield (engineering), Impact angle, Magnetic confinement fusion, Condensed Matter Physics, 3d simulation, 01 natural sciences, Molecular physics, Aspect ratio (image), Atomic and Molecular Physics, and Optics, 010305 fluids & plasmas, Ion, Physics::Plasma Physics, Sputtering, 0103 physical sciences, 010306 general physics, Mathematical Physics
Abstract: The lifetime of plasma-facing components is critical for future magnetic confinement fusion power plants. A key process limiting the lifetime of the first-wall is sputtering by energetic ions. To provide a consistent modeling of the sputtering process of realistic geometries, the SDTrimSP-code has been extended to enable the processing of analytic as well as measured arbitrary 3D surface morphologies. The code has been applied to study the effect of varying the impact angle of ions on rough surfaces on the sputter yield as well as the influence of the aspect ratio of surface structures on the 2D distribution of the local sputtering yields. Depending on the surface morphologies reductions of the effective sputter yields to less than 25% have been observed in the simulation results.
Published: 2017

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