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2,953 results on '"Gallant, P."'

1. High-Statistics Measurement of the Cosmic-Ray Electron Spectrum with H.E.S.S

Author

Aharonian, F., Benkhali, F. Ait, Aschersleben, J., Ashkar, H., Backes, M., Martins, V. Barbosa, Batzofin, R., Becherini, Y., Berge, D., Bernlöhr, K., Bi, B., Böttcher, M., Boisson, C., Bolmont, J., de Lavergne, M. de Bony, Borowska, J., Bouyahiaoui, M., Brose, R., Brown, A., Brun, F., Bruno, B., Bulik, T., Burger-Scheidlin, C., Bylund, T., Casanova, S., Celic, J., Cerruti, M., Chand, T., Chandra, S., Chen, A., Chibueze, J., Chibueze, O., Collins, T., Cotter, G., Mbarubucyeye, J. Damascene, Devin, J., Djuvsland, J., Dmytriiev, A., Egberts, K., Einecke, S., Ernenwein, J. -P., Fegan, S., Feijen, K., Fontaine, G., Funk, S., Gabici, S., Gallant, Y. A., Glicenstein, J. F., Glombitza, J., Grolleron, G., Heß, B., Hofmann, W., Holch, T. L., Holler, M., Horns, D., Huang, Zhiqiu, Jamrozy, M., Jankowsky, F., Joshi, V., Jung-Richardt, I., Kasai, E., Katarzynski, K., Kerszberg, D., Khatoon, R., Khelifi, B., Kluzniak, W., Komin, Nu., Kosack, K., Kostunin, D., Kundu, A., Lang, R. G., Stum, S. Le, Leitl, F., Lemiere, A., Lemoine-Goumard, M., Lenain, J. -P., Leuschner, F., Luashvili, A., Mackey, J., Malyshev, D., Marandon, V., Marinos, P., Marti-Devesa, G., Marx, R., Meyer, M., Mitchell, A., Moderski, R., Moghadam, M. O., Mohrmann, L., Montanari, A., Moulin, E., de Naurois, M., Niemiec, J., Ohm, S., Olivera-Nieto, L., Wilhelmi, E. de Ona, Ostrowski, M., Panny, S., Panter, M., Parsons, D., Pensec, U., Peron, G., Pühlhofer, G., Punch, M., Quirrenbach, A., Ravikularaman, S., Regeard, M., Reimer, A., Reimer, O., Reis, I., Ren, H., Reville, B., Rieger, F., Rowell, G., Rudak, B., Ruiz-Velasco, E., Sahakian, V., Salzmann, H., Santangelo, A., Sasaki, M., Schäfer, J., Schüssler, F., Schutte, H. M., Shapopi, J. N. S., Sharma, A., Sol, H., Spencer, S., Stawarz, L., Steinmassl, S., Steppa, C., Suzuki, H., Takahashi, T., Tanaka, T., Taylor, A. M., Terrier, R., Tsirou, M., van Eldik, C., Vecchi, M., Venter, C., Vink, J., Wach, T., Wagner, S. J., Wierzcholska, A., Zacharias, M., Zdziarski, A. A., Zech, A., and Zywucka, N.

Subjects
Astrophysics - High Energy Astrophysical Phenomena
Abstract

Owing to their rapid cooling rate and hence loss-limited propagation distance, cosmic-ray electrons and positrons (CRe) at very high energies probe local cosmic-ray accelerators and provide constraints on exotic production mechanisms such as annihilation of dark matter particles. We present a high-statistics measurement of the spectrum of CRe candidate events from 0.3 to 40 TeV with the High Energy Stereoscopic System (H.E.S.S.), covering two orders of magnitude in energy and reaching a proton rejection power of better than $10^{4}$. The measured spectrum is well described by a broken power law, with a break around 1 TeV, where the spectral index increases from $\Gamma_1 = 3.25$ $\pm$ 0.02 (stat) $\pm$ 0.2 (sys) to $\Gamma_2 = 4.49$ $\pm$ 0.04 (stat) $\pm$ 0.2 (sys). Apart from the break, the spectrum is featureless. The absence of distinct signatures at multi-TeV energies imposes constraints on the presence of nearby CRe accelerators and the local CRe propagation mechanisms., Comment: main paper: 8 pages, 4 figures, supplemental material: 12 pages, 14 figures, accepted for publication in Physical Review Letters https://journals.aps.org/prl/

Published
2024
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2. Mass measurements of neutron-rich nuclides using the Canadian Penning Trap to inform predictions in the $r$-process rare-earth peak region

Author

Ray, D., Vassh, N., Liu, B., Valverde, A. A., Brodeur, M., Clark, J. A., McLaughlin, G. C., Mumpower, M. R., Orford, R., Porter, W. S., Savard, G., Sharma, K. S., Surman, R., Buchinger, F., Burdette, D. P., Callahan, N., Gallant, A. T., Hoff, D. E. M., Kolos, K., Kondev, F. G., Morgan, G. E., Rivero, F., Santiago-Gonzalez, D., Scielzo, N. D., Varriano, L., Weber, C. M., Wilson, G. E., and Yan, X. L.

Subjects
Nuclear Experiment, Nuclear Theory
Abstract

Studies aiming to determine the astrophysical origins of nuclei produced by the rapid neutron capture process ($r$ process) rely on nuclear properties as inputs for simulations. The solar abundances can be used as a benchmark for such calculations, with the $r$-process rare-earth peak (REP) around mass number ($A$) 164 being of special interest due to its presently unknown origin. With the advancement of rare isotope beam production over the last decade and improvement in experimental sensitivities, many of these REP nuclides have become accessible for measurement. Masses are one of the most critical inputs as they impact multiple nuclear properties, namely the neutron-separation energies, neutron capture rates, $\beta$-decay rates, and $\beta$-delayed neutron emission probabilities. In this work, we report masses of 20 neutron-rich nuclides (along the Ba, La, Ce, Pr, Nd, Pm, Gd, Dy and Ho isotopic chains) produced at the CAlifornium Rare Isotope Breeder Upgrade (CARIBU) facility at Argonne National Laboratory. The masses were measured with the Canadian Penning trap (CPT) mass spectrometer using the Phase-Imaging Ion-Cyclotron-Resonance (PI-ICR) technique. We then use these new masses along with previously published CPT masses to inform predictions for a Markov Chain Monte Carlo (MCMC) procedure aiming to identify the astrophysical conditions consistent with both solar data and mass measurements. We show that the MCMC responds to this updated mass information, producing refined results for both mass predictions and REP abundances., Comment: 11 pages, 8 figures

Published
2024

3. Reactive Passivation of Wide-Bandgap Organic-Inorganic Perovskites with Benzylamine.

Author

Zhou, Suer, Gallant, Benjamin, Zhang, Junxiang, Shi, Yangwei, Smith, Joel, Drysdale, James, Therdkatanyuphong, Pattarawadee, Taddei, Margherita, McCarthy, Declan, Barlow, Stephen, Kilbride, Rachel, Dasgupta, Akash, Marshall, Ashley, Wang, Jian, Kubicki, Dominik, Ginger, David, Marder, Seth, and Snaith, Henry

Abstract

While amines are widely used as additives in metal-halide perovskites, our understanding of the way amines in perovskite precursor solutions impact the resultant perovskite film is still limited. In this paper, we explore the multiple effects of benzylamine (BnAm), also referred to as phenylmethylamine, used to passivate both FA0.75Cs0.25Pb(I0.8Br0.2)3 and FA0.8Cs0.2PbI3 perovskite compositions. We show that, unlike benzylammonium (BnA+) halide salts, BnAm reacts rapidly with the formamidinium (FA+) cation, forming new chemical products in solution and these products passivate the perovskite crystal domains when processed into a thin film. In addition, when BnAm is used as a bulk additive, the average perovskite solar cell maximum power point tracked efficiency (for 30 s) increased to 19.3% compared to the control devices 16.8% for a 1.68 eV perovskite. Under combined full spectrum simulated sunlight and 65 °C temperature, the devices maintained a better T80 stability of close to 2500 h while the control devices have T80 stabilities of

Published
2024

4. ReactCA: A Cellular Automaton for Predicting Phase Evolution in Solid-State Reactions

Author

Gallant, Max C., McDermott, Matthew J., Li, Bryant, and Persson, Kristin A.

Subjects
Condensed Matter - Materials Science
Abstract

New computational tools for solid-state synthesis recipe design are needed in order to accelerate the experimental realization of novel functional materials proposed by high-throughput materials discovery workflows. This work contributes a cellular automaton simulation framework (ReactCA) for predicting the time-dependent evolution of intermediate and product phases during solid-state reactions as a function of precursor choice and amount, reaction atmosphere, and heating profile. The simulation captures rudimentary kinetic effects, the effects of reactant particle spatial distribution, particle melting and reaction atmosphere. It achieves conservation of mass using a stochastic, asynchronous evolution rule and estimates reaction rates using density functional theory data from the Materials Project [1] and machine learning estimators for the the melting point [2] and the vibrational entropy component of the Gibbs free energy [3]. The resulting simulation framework allows for the prediction of the likely outcome of a reaction recipe before any experiments are performed. We analyze five experimental solid-state recipes for BaTiO$_3$, CaZrN$_2$ and YMnO$_3$ found in the literature to illustrate the performance of the model in capturing reaction pathways as a function of temperature, reaction selectivity and the effect of precursor choice. Our approach allows for straightforward comparison of predicted mass fractions of intermediates and products with experimental results. This simulation framework presents a step toward $\textit{in silico}$ synthesis recipe design and an easier way to optimize existing recipes, aid in the identification of intermediates and identify effective recipes for yet unrealized inorganic solids.

Published
2024

5. Very-high-energy $\gamma$-ray emission from young massive star clusters in the Large Magellanic Cloud

Author

Aharonian, F., Benkhali, F. Ait, Aschersleben, J., Ashkar, H., Backes, M., Martins, V. Barbosa, Batzofin, R., Becherini, Y., Berge, D., Bernlöhr, K., Böttcher, M., Bolmont, J., de Lavergne, M. de Bony, Borowska, J., Brose, R., Brown, A., Brun, F., Bruno, B., Burger-Scheidlin, C., Casanova, S., Celic, J., Cerruti, M., Chand, T., Chandra, S., Chen, A., Chibueze, J., Chibueze, O., Cotter, G., Cristofari, P., Devin, J., Djannati-Ataï, A., Djuvsland, J., Dmytriiev, A., Egberts, K., Einecke, S., Feijen, K., Filipovic, M., Fontaine, G., Funk, S., Gabici, S., Gallant, Y. A., Glicenstein, J. F., Glombitza, J., Grolleron, G., Haerer, L., Heß, B., Hinton, J. A., Hofmann, W., Holch, T. L., Horns, D., Huang, Zhiqiu, Jamrozy, M., Jankowsky, F., Jung-Richardt, I., Kasai, E., Katarzyński, K., Khatoon, R., Khélifi, B., Kluźniak, W., Komin, Nu., Kosack, K., Kostunin, D., Kundu, A., Lang, R. G., Stum, S. Le, Lemière, A., Lemoine-Goumard, M., Lenain, J. -P., Leuschner, F., Mackey, J., Marandon, V., Martí-Devesa, G., Marx, R., Mehta, A., Mitchell, A., Moderski, R., Moghadam, M. O., Mohrmann, L., Montanari, A., Moulin, E., de Naurois, M., Niemiec, J., Ohm, S., Olivera-Nieto, L., Wilhelmi, E. de Ona, Ostrowski, M., Panny, S., Pensec, U., Peron, G., Pühlhofer, G., Quirrenbach, A., Ravikularaman, S., Regeard, M., Reimer, A., Reimer, O., Ren, H., Renaud, M., Reville, B., Rieger, F., Rowell, G., Rudak, B., Ruiz-Velasco, E., Sabri, K., Sahakian, V., Salzmann, H., Santangelo, A., Sasaki, M., Schäfer, J., Schüssler, F., Schutte, H. M., Sol, H., Spencer, S., Stawarz, Ł., Steinmassl, S., Steppa, C., Streil, K., Sushch, I., Taylor, A. M., Terrier, R., Tsirou, M., Tsuji, N., van Eldik, C., Vecchi, M., Venter, C., Vink, J., Wagner, S. J., White, R., Wierzcholska, A., Zacharias, M., Zdziarski, A. A., Zech, A., and Żywucka, N.

Subjects
Astrophysics - High Energy Astrophysical Phenomena
Abstract

The Tarantula Nebula in the Large Magellanic Cloud is known for its high star formation activity. At its center lies the young massive star cluster R136, providing a significant amount of the energy that makes the nebula shine so brightly at many wavelengths. Recently, young massive star clusters have been suggested to also efficiently produce high-energy cosmic rays, potentially beyond PeV energies. Here, we report the detection of very-high-energy $\gamma$-ray emission from the direction of R136 with the High Energy Stereoscopic System, achieved through a multicomponent, likelihood-based modeling of the data. This supports the hypothesis that R136 is indeed a very powerful cosmic-ray accelerator. Moreover, from the same analysis, we provide an updated measurement of the $\gamma$-ray emission from 30 Dor C, the only superbubble detected at TeV energies presently. The $\gamma$-ray luminosity above $0.5\,\mathrm{TeV}$ of both sources is $(2-3)\times 10^{35}\,\mathrm{erg}\,\mathrm{s}^{-1}$. This exceeds by more than a factor of 2 the luminosity of HESS J1646$-$458, which is associated with the most massive young star cluster in the Milky Way, Westerlund 1. Furthermore, the $\gamma$-ray emission from each source is extended with a significance of $>3\sigma$ and a Gaussian width of about $30\,\mathrm{pc}$. For 30 Dor C, a connection between the $\gamma$-ray emission and the nonthermal X-ray emission appears likely. Different interpretations of the $\gamma$-ray signal from R136 are discussed., Comment: 10+11 pages, 4+6 figures. Corresponding authors: L. Mohrmann, N. Komin

Published
2024
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6. Occipital-temporal cortical tuning to semantic and affective features of natural images predicts associated behavioral responses.

Author

Abdel-Ghaffar, Samy, Huth, Alexander, Lescroart, Mark, Stansbury, Dustin, Gallant, Jack, and Bishop, Sonia

Subjects
Humans, Female, Male, Semantics, Magnetic Resonance Imaging, Temporal Lobe, Adult, Occipital Lobe, Young Adult, Emotions, Brain Mapping, Photic Stimulation, Affect, Arousal
Abstract

In everyday life, people need to respond appropriately to many types of emotional stimuli. Here, we investigate whether human occipital-temporal cortex (OTC) shows co-representation of the semantic category and affective content of visual stimuli. We also explore whether OTC transformation of semantic and affective features extracts information of value for guiding behavior. Participants viewed 1620 emotional natural images while functional magnetic resonance imaging data were acquired. Using voxel-wise modeling we show widespread tuning to semantic and affective image features across OTC. The top three principal components underlying OTC voxel-wise responses to image features encoded stimulus animacy, stimulus arousal and interactions of animacy with stimulus valence and arousal. At low to moderate dimensionality, OTC tuning patterns predicted behavioral responses linked to each image better than regressors directly based on image features. This is consistent with OTC representing stimulus semantic category and affective content in a manner suited to guiding behavior.

Published
2024

7. H.E.S.S. observations of the 2021 periastron passage of PSR B1259-63/LS 2883

Author

Collaboration, H. E. S. S., Aharonian, F., Benkhali, F. Ait, Aschersleben, J., Ashkar, H., Backes, M., Martins, V. Barbosa, Batzofin, R., Becherini, Y., Berge, D., Bernlöhr, K., Böttcher, M., Boisson, C., Bolmont, J., de Lavergne, M. de Bony, Borowska, J., Bouyahiaoui, M., Brose, R., Brown, A., Brun, F., Bruno, B., Bulik, T., Burger-Scheidlin, C., Caroff, S., Casanova, S., Celic, J., Cerruti, M., Chand, T., Chandra, S., Chen, A., Chibueze, J., Chibueze, O., Cotter, G., Mbarubucyeye, J. Damascene, Devin, J., Djuvsland, J., Dmytriiev, A., Egberts, K., Einecke, S., Ernenwein, J. -P., Fontaine, G., Funk, S., Gabici, S., Gallant, Y. A., Glawion, D., Glicenstein, J. F., Goswami, P., Grolleron, G., Haerer, L., Heß, B., Hofmann, W., Holch, T. L., Holler, M., Huang, Zhiqiu, Jamrozy, M., Jankowsky, F., Joshi, V., Jung-Richardt, I., Kasai, E., Katarzyński, K., Khangulyan, D., Khatoon, R., Khélifi, B., Kluźniak, W., Komin, Nu., Kosack, K., Kostunin, D., Kundu, A., Lang, R. G., Stum, S. Le, Leitl, F., Lemière, A., Lemoine-Goumard, M., Lenain, J. -P., Leuschner, F., Mackey, J., Malyshev, D., Martí-Devesa, G., Marx, R., Mehta, A., Meintjes, P. J., Mitchell, A., Moderski, R., Mohrmann, L., Montanari, A., Moulin, E., Murach, T., de Naurois, M., Niemiec, J., Ohm, S., Wilhelmi, E. de Ona, Ostrowski, M., Panny, S., Panter, M., Parsons, R. D., Pensec, U., Peron, G., Prokhorov, D. A., Pühlhofer, G., Punch, M., Quirrenbach, A., Regeard, M., Reimer, A., Reimer, O., Reis, I., Ren, H., Rieger, F., Rudak, B., Ruiz-Velasco, E., Sahakian, V., Salzmann, H., Santangelo, A., Sasaki, M., Schäfer, J., Schüssler, F., Schutte, H. M., Shapopi, J. N. S., Spencer, S., Stawarz, Ł., Steenkamp, R., Steinmassl, S., Steppa, C., Streil, K., Sushch, I., Takahashi, T., Tanaka, T., Taylor, A. M., Terrier, R., Thorpe-Morgan, C., Tluczykont, M., Unbehaun, T., van Eldik, C., van Soelen, B., Vecchi, M., Venter, C., Vink, J., Wach, T., Wagner, S. J., Werner, F., Wierzcholska, A., Zacharias, M., Zdziarski, A. A., Zech, A., and Żywucka, N.

Subjects
Astrophysics - High Energy Astrophysical Phenomena
Abstract

PSR B1259-63 is a gamma-ray binary system that hosts a pulsar in an eccentric orbit, with a 3.4 year period, around an O9.5Ve star. At orbital phases close to periastron passages, the system radiates bright and variable non-thermal emission. We report on an extensive VHE observation campaign conducted with the High Energy Stereoscopic System, comprised of ~100 hours of data taken from $t_p-24$ days to $t_p+127$ days around the system's 2021 periastron passage. We also present the timing and spectral analyses of the source. The VHE light curve in 2021 is consistent with the stacked light curve of all previous observations. Within the light curve, we report a VHE maximum at times coincident with the third X-ray peak first detected in the 2021 X-ray light curve. In the light curve -- although sparsely sampled in this time period -- we see no VHE enhancement during the second disc crossing. In addition, we see no correspondence to the 2021 GeV flare in the VHE light curve. The VHE spectrum obtained from the analysis of the 2021 dataset is best described by a power law of spectral index $\Gamma = 2.65 \pm 0.04_{\text{stat}}$ $\pm 0.04_{\text{sys}}$, a value consistent with the previous H.E.S.S. observations of the source. We report spectral variability with a difference of $\Delta \Gamma = 0.56 ~\pm~ 0.18_{\text{stat}}$ $~\pm~0.10_{\text{sys}}$ at 95% c.l., between sub-periods of the 2021 dataset. We also find a linear correlation between contemporaneous flux values of X-ray and TeV datasets, detected mainly after $t_p+25$ days, suggesting a change in the available energy for non-thermal radiation processes. We detect no significant correlation between GeV and TeV flux points, within the uncertainties of the measurements, from $\sim t_p-23$ days to $\sim t_p+126$ days. This suggests that the GeV and TeV emission originate from different electron populations., Comment: accepted to A&A

Published
2024

8. A green solvent system for precursor phase-engineered sequential deposition of stable formamidinium lead triiodide for perovskite solar cells

Author

Gallant, Benjamin M., Holzhey, Philippe, Smith, Joel A., Choudhary, Saqlain, Elmestekawy, Karim A., Caprioglio, Pietro, Levine, Igal, Sheader, Alex, Yang, Fengning, Toolan, Daniel T. W., Kilbride, Rachel C., Zaininger, Augustin K. A., Ball, James M., Christoforo, M. Greyson, Noel, Nakita, Herz, Laura M., Kubicki, Dominik J., and Snaith, Henry J.

Subjects
Physics - Applied Physics, Condensed Matter - Materials Science
Abstract

Perovskite solar cells (PSCs) offer an efficient, inexpensive alternative to current photovoltaic technologies, with the potential for manufacture via high-throughput coating methods. However, challenges for commercial-scale solution-processing of metal-halide perovskites include the use of harmful solvents, the expense of maintaining controlled atmospheric conditions, and the inherent instabilities of PSCs under operation. Here, we address these challenges by introducing a high volatility, low toxicity, biorenewable solvent system to fabricate a range of 2D perovskites, which highly effective precursor phases for subsequent transformation to alpha-formamidinium lead triiodide (FAPbI3), fully processed under ambient conditions. PSCs utilising our FAPbI3 reproducibly show remarkable stability under illumination and elevated temperature (ISOS-L-2) and "damp heat" (ISOS-D-3) stressing, surpassing other state-of-the-art perovskite compositions. We determine that this enhancement is a consequence of the 2D precursor phase crystallisation route, which simultaneously avoids retention of residual low-volatility solvents (such as DMF and DMSO) and reduces the rate of degradation of FA+ in the material. Our findings highlight both the critical role of the initial crystallisation process in determining the operational stability of perovskite materials, and that neat FA+-based perovskites can be competitively stable despite the inherent metastability of the alpha-phase.

Published
2024

9. myAURA: Personalized health library for epilepsy management via knowledge graph sparsification and visualization

Author

Correia, Rion Brattig, Rozum, Jordan C., Cross, Leonard, Felag, Jack, Gallant, Michael, Guo, Ziqi, Herr II, Bruce W., Min, Aehong, Rocha, Deborah Stungis, Wang, Xuan, Börner, Katy, Miller, Wendy, and Rocha, Luis M.

Subjects
Computer Science - Information Retrieval, Computer Science - Digital Libraries
Abstract

Objective: We report the development of the patient-centered myAURA application and suite of methods designed to aid epilepsy patients, caregivers, and researchers in making decisions about care and self-management. Materials and Methods: myAURA rests on the federation of an unprecedented collection of heterogeneous data resources relevant to epilepsy, such as biomedical databases, social media, and electronic health records. A generalizable, open-source methodology was developed to compute a multi-layer knowledge graph linking all this heterogeneous data via the terms of a human-centered biomedical dictionary. Results: The power of the approach is first exemplified in the study of the drug-drug interaction phenomenon. Furthermore, we employ a novel network sparsification methodology using the metric backbone of weighted graphs, which reveals the most important edges for inference, recommendation, and visualization, such as pharmacology factors patients discuss on social media. The network sparsification approach also allows us to extract focused digital cohorts from social media whose discourse is more relevant to epilepsy or other biomedical problems. Finally, we present our patient-centered design and pilot-testing of myAURA, including its user interface, based on focus groups and other stakeholder input. Discussion: The ability to search and explore myAURA's heterogeneous data sources via a sparsified multi-layer knowledge graph, as well as the combination of those layers in a single map, are useful features for integrating relevant information for epilepsy. Conclusion: Our stakeholder-driven, scalable approach to integrate traditional and non-traditional data sources, enables biomedical discovery and data-powered patient self-management in epilepsy, and is generalizable to other chronic conditions.

Published
2024

11. USP10 drives cancer stemness and enables super-competitor signalling in colorectal cancer

Author

Reissland, Michaela, Hartmann, Oliver, Tauch, Saskia, Bugter, Jeroen M., Prieto-Garcia, Cristian, Schulte, Clemens, Loebbert, Sinah, Solvie, Daniel, Bitman-Lotan, Eliya, Narain, Ashwin, Jacomin, Anne-Claire, Schuelein-Voelk, Christina, Fuss, Carmina T., Pahor, Nikolett, Ade, Carsten, Buck, Viktoria, Potente, Michael, Li, Vivian, Beliu, Gerti, Wiegering, Armin, Grossmann, Tom, Eilers, Martin, Wolf, Elmar, Maric, Hans, Rosenfeldt, Mathias, Maurice, Madelon M., Dikic, Ivan, Gallant, Peter, Orian, Amir, and Diefenbacher, Markus E.

Published
2024
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16. Unveiling extended gamma-ray emission around HESS J1813-178

Author

Aharonian, F., Benkhali, F. Ait, Aschersleben, J., Ashkar, H., Backes, M., Baktash, A., Martins, V. Barbosa, Barnard, J., Batzofin, R., Becherini, Y., Berge, D., Bernlöhr, K., Bi, B., Böttcher, M., Boisson, C., Bolmont, J., de Lavergne, M. de Bony, Borowska, J., Bouyahiaoui, M., Breuhaus, M., Brose, R., Brun, F., Bruno, B., Bulik, T., Burger-Scheidlin, C., Caroff, S., Casanova, S., Cecil, R., Celic, J., Cerruti, M., Chambery, P., Chand, T., Chen, A., Chibueze, J., Chibueze, O., Cotter, G., Mbarubucyeye, J. Damascene, Djannati-Ataï, A., Dmytriiev, A., Doroshenko, V., Einecke, S., Ernenwein, J. -P., Feijen, K., Filipovic, M., Fontaine, G., Füßling, M., Funk, S., Gabici, S., Gallant, Y. A., Ghafourizadeh, S., Giavitt, G., Glawion, D., Glicenstein, J. F., Goswami, P., Grolleron, G., Grondin, M. -H., Hinton, J. A., Hofmann, W., Holch, T. L., Holler, M., Jamrozy, M., Jankowsky, F., Joshi, V., Jung-Richardt, I., Katarzyński, K., Khatoon, R., Khélifi, B., Klepser, S., Kluźniak, W., Komin, Nu., Kosack, K., Kostunin, D., Kundu, A., Lang, R. G., Stum, S. Le, Leitl, F., Lemière, A., Lemoine-Goumard, M., Lenain, J. -P., Leuschner, F., Mackey, J., Malyshev, D., Marandon, V., Marinos, P., Martí-Devesa, G., Marx, R., Mehta, A., Mitchell, A., Moderski, R., Mohrmann, L., Montanari, A., Moulin, E., Murach, T., de Naurois, M., Niemiec, J., Noel, A. Priyana, O'Brien, P., Ohm, S., Olivera-Nieto, L., Wilhelmi, E. de Ona, Ostrowski, M., Panny, S., Panter, M., Parsons, R. D., Prokhorov, D. A., Pühlhofer, G., Punch, M., Quirrenbach, A., Regeard, M., Reichherzer, P., Reimer, A., Reimer, O., Ren, H., Renaud, M., Reville, B., Rieger, F., Roellinghoff, G., Rudak, B., Sahakian, V., Salzmann, H., Sasaki, M., Schüssler, F., Schutte, H. M., Shapopi, J. N. S., Specovius, A., Spencer, S., Steenkamp, R., Steinmassl, S., Steppa, C., Sushch, I., Suzuki, H., Takahashi, T., Tanaka, T., Terrier, R., Tluczykont, M., Tsuji, N., Unbehaun, T., van Eldik, C., Vecchi, M., Veh, J., Venter, C., Vink, J., Wach, T., Wagner, S. J., Wierzcholska, A., Zacharias, M., Zargaryan, D., Zdziarski, A. A., Zouari, S., and Żywucka, N.

Subjects
Astrophysics - High Energy Astrophysical Phenomena
Abstract

HESS J1813$-$178 is a very-high-energy $\gamma$-ray source spatially coincident with the young and energetic pulsar PSR J1813$-$1749 and thought to be associated with its pulsar wind nebula (PWN). Recently, evidence for extended high-energy emission in the vicinity of the pulsar has been revealed in the Fermi Large Area Telescope (LAT) data. This motivates revisiting the HESS J1813$-$178 region, taking advantage of improved analysis methods and an extended data set. Using data taken by the High Energy Stereoscopic System (H.E.S.S.) experiment and the Fermi-LAT, we aim to describe the $\gamma$-ray emission in the region with a consistent model, to provide insights into its origin. We performed a likelihood-based analysis on 32 hours of H.E.S.S. data and 12 years of Fermi-LAT data and fit a spectro-morphological model to the combined datasets. These results allowed us to develop a physical model for the origin of the observed $\gamma$-ray emission in the region. In addition to the compact very-high-energy $\gamma$-ray emission centered on the pulsar, we find a significant yet previously undetected component along the Galactic plane. With Fermi-LAT data, we confirm extended high-energy emission consistent with the position and elongation of the extended emission observed with H.E.S.S. These results establish a consistent description of the emission in the region from GeV energies to several tens of TeV. This study suggests that HESS J1813$-$178 is associated with a $\gamma$-ray PWN powered by PSR J1813$-$1749. A possible origin of the extended emission component is inverse Compton emission from electrons and positrons that have escaped the confines of the pulsar and form a halo around the PWN., Comment: 13+5 pages, 13+11 figures. Accepted for publication in A&A. Corresponding authors: T.Wach, A.Mitchell, V.Joshi, P.Chamb\'ery

Published
2024
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17. Spectrum and extension of the inverse-Compton emission of the Crab Nebula from a combined Fermi-LAT and H.E.S.S. analysis

Author

Aharonian, F., Benkhali, F. Ait, Aschersleben, J., Ashkar, H., Backes, M., Baktash, A., Martins, V. Barbosa, Batzofin, R., Becherini, Y., Berge, D., Bernlöhr, K., Bi, B., Böttcher, M., Boisson, C., Bolmont, J., de Lavergne, M. de Bony, Borowska, J., Bradascio, F., Breuhaus, M., Brose, R., Brown, A., Brun, F., Bruno, B., Bulik, T., Burger-Scheidlin, C., Bylund, T., Caroff, S., Casanova, S., Cecil, R., Celic, J., Cerruti, M., Chambery, P., Chand, T., Chandra, S., Chen, A., Chibueze, J., Chibueze, O., Cotter, G., Cristofari, P., Devin, J., Djannati-Ataï, A., Djuvsland, J., Dmytriiev, A., Einecke, S., Ernenwein, J. -P., Fegan, S., Feijen, K., Filipović, M., Fontaine, G., Füßling, M., Funk, S., Gabici, S., Gallant, Y. A., Giavitto, G., Glawion, D., Glicenstein, J. F., Glombitza, J., Goswami, P., Grolleron, G., Grondin, M. -H., Haerer, L., Hinton, J. A., Hofmann, W., Holch, T. L., Holler, M., Horns, D., Jamrozy, M., Jankowsky, F., Joshi, V., Kasai, E., Katarzyński, K., Khatoon, R., Khélifi, B., Kluźniak, W., Komin, Nu., Kosack, K., Kostunin, D., Kundu, A., Lang, R. G., Stum, S. Le, Leitl, F., Lemière, A., Lemoine-Goumard, M., Lenain, J. -P., Leuschner, F., Luashvili, A., Mackey, J., Malyshev, D., Marandon, V., Marinos, P., Martí-Devesa, G., Marx, R., Mehta, A., Meyer, M., Mitchell, A., Moderski, R., Mohrmann, L., Montanari, A., Moulin, E., Murach, T., de Naurois, M., Niemiec, J., O'Brien, P., Ohm, S., Olivera-Nieto, L., Wilhelmi, E. de Ona, Ostrowski, M., Panny, S., Panter, M., Parsons, R. D., Peron, G., Prokhorov, D. A., Pühlhofer, G., Punch, M., Quirrenbach, A., Regeard, M., Reichherzer, P., Reimer, A., Reimer, O., Ren, H., Renaud, M., Reville, B., Rieger, F., Roellinghoff, G., Rudak, B., Sahakian, V., Salzmann, H., Sasaki, M., Schüssler, F., Schutte, H. M., Shapopi, J. N. S., Specovius, A., Spencer, S., Stawarz, Ł., Steenkamp, R., Steinmassl, S., Steppa, C., Streil, K., Sushch, I., Suzuki, H., Takahashi, T., Tanaka, T., Terrier, R., Tluczykont, M., Tsuji, N., Unbehaun, T., van Eldik, C., Vecchi, M., Veh, J., Venter, C., Vink, J., Wach, T., Wagner, S. J., Wierzcholska, A., Zacharias, M., Zargaryan, D., Zdziarski, A. A., Zech, A., Zouari, S., Żywucka, N., and Harding, A.

Subjects
Astrophysics - High Energy Astrophysical Phenomena
Abstract

The Crab Nebula is a unique laboratory for studying the acceleration of electrons and positrons through their non-thermal radiation. Observations of very-high-energy $\gamma$ rays from the Crab Nebula have provided important constraints for modelling its broadband emission. We present the first fully self-consistent analysis of the Crab Nebula's $\gamma$-ray emission between 1 GeV and $\sim$100 TeV, that is, over five orders of magnitude in energy. Using the open-source software package Gammapy, we combined 11.4 yr of data from the Fermi Large Area Telescope and 80 h of High Energy Stereoscopic System (H.E.S.S.) data at the event level and provide a measurement of the spatial extension of the nebula and its energy spectrum. We find evidence for a shrinking of the nebula with increasing $\gamma$-ray energy. Furthermore, we fitted several phenomenological models to the measured data, finding that none of them can fully describe the spatial extension and the spectral energy distribution at the same time. Especially the extension measured at TeV energies appears too large when compared to the X-ray emission. Our measurements probe the structure of the magnetic field between the pulsar wind termination shock and the dust torus, and we conclude that the magnetic field strength decreases with increasing distance from the pulsar. We complement our study with a careful assessment of systematic uncertainties., Comment: 18+6 pages, 15+2 figures. Accepted for publication in A&A. Corresponding authors: M. Meyer, L. Mohrmann, T. Unbehaun. v2: after A&A language editing

Published
2024
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18. The ab initio amorphous materials database: Empowering machine learning to decode diffusivity

Author

Zheng, Hui, Sivonxay, Eric, Gallant, Max, Luo, Ziyao, McDermott, Matthew, Huck, Patrick, and Persson, Kristin A.

Subjects
Condensed Matter - Materials Science
Abstract

Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven exploration and design of amorphous materials is hampered by the absence of a comprehensive database covering a broad chemical space. In this work, we present the largest computed amorphous materials database to date, generated from systematic and accurate \textit{ab initio} molecular dynamics (AIMD) calculations. We also show how the database can be used in simple machine-learning models to connect properties to composition and structure, here specifically targeting ionic conductivity. These models predict the Li-ion diffusivity with speed and accuracy, offering a cost-effective alternative to expensive density functional theory (DFT) calculations. Furthermore, the process of computational quenching amorphous materials provides a unique sampling of out-of-equilibrium structures, energies, and force landscape, and we anticipate that the corresponding trajectories will inform future work in universal machine learning potentials, impacting design beyond that of non-crystalline materials., Comment: 28 pages, 7 figures

Published
2024

19. A Modern Interpretation of Newton's Theorem of Revolving Orbits

Author

Samboy, Nolan and Gallant, Joseph

Subjects
Physics - Classical Physics
Abstract

Newton's Theorem of Revolving Orbits derives the force that is necessary to explain a particular precession that leaves the shape of an orbit unchanged. Newton showed that for an orbiting body that is already subject to any central force, the inclusion of an additional inverse-cube central force will change that body's angular speed without affecting its radial motion; this leads to the orbit's precession. After reviewing the relevant concepts of Kepler orbits, we present a full description and explanation of Newton's theorem using modern physical and mathematical approaches aimed at a general audience. We specifically highlight the use of the transformation between a rotating reference frame and an inertial reference frame, making this a suitable topic for an upper-level undergraduate mechanics course.

Published
2024
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21. The Beta-decay Paul Trap Mk IV: Design and commissioning

Author

Varriano, L., Savard, G., Clark, J. A., Burdette, D. P., Burkey, M. T., Gallant, A. T., Hirsh, T. Y., Longfellow, B., Scielzo, N. D., Segel, R., Boron III, E. J., Brodeur, M., Callahan, N., Cannon, A., Kolos, K., Liu, B., Lopez-Caceres, S., Gott, M., Maaß, B., Marley, S. T., Mohs, C., Morgan, G. E., Mueller, P., Oberling, M., O'Malley, P. D., Porter, W. S., Purcell, Z., Ray, D., Rivero, F., Valverde, A. A., Wilson, G. L., and Zite, R.

Subjects
Physics - Instrumentation and Detectors, Nuclear Experiment
Abstract

The Beta-decay Paul Trap is an open-geometry, linear trap used to measure the decays of $^8$Li and $^8$B to search for a tensor contribution to the weak interaction. In the latest $^8$Li measurement of Burkey et al. (2022), $\beta$ scattering was the dominant experimental systematic uncertainty. The Beta-decay Paul Trap Mk IV reduces the prevalence of $\beta$ scattering by a factor of 4 through a redesigned electrode geometry and the use of glassy carbon and graphite as electrode materials. The trap has been constructed and successfully commissioned with $^8$Li in a new data campaign that collected 2.6 million triple coincidence events, an increase in statistics by 30% with 4 times less $\beta$ scattering compared to the previous $^8$Li data set., Comment: 17 pages, 7 figures

Published
2023
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22. Chasing Gravitational Waves with the Cherenkov Telescope Array

Author

Green, Jarred Gershon, Carosi, Alessandro, Nava, Lara, Patricelli, Barbara, Schüssler, Fabian, Seglar-Arroyo, Monica, Consortium, Cta, Abe, Kazuki, Abe, Shotaro, Acharyya, Atreya, Adam, Remi, Aguasca-Cabot, Arnau, Agudo, Ivan, Alfaro, Jorge, Alvarez-Crespo, Nuria, Batista, Rafael Alves, Amans, Jean-Philippe, Amato, Elena, Ambrosino, Filippo, Angüner, Ekrem Oguzhan, Antonelli, Lucio Angelo, Aramo, Carla, Arcaro, Cornelia, Arrabito, Luisa, Asano, Katsuaki, Aschersleben, Jann, Ashkar, Halim, Stuani, Luiz Augusto, Baack, Dominik, Backes, Michael, Balazs, Csaba, Balbo, Matteo, Larriva, Andres Baquero, Martins, Victor Barbosa, de Almeida, Ulisses Barres, Barrio, Juan Abel, Bastieri, Denis, Batista, Pedro Ivo, Batković, Ivana, Batzofin, Rowan William, Baxter, Joshua Ryo, Beck, Geoffrey, Tjus, Julia Becker, Beiske, Lukas, Belardinelli, Daniele, Benbow, Wystan, Bernardini, Elisa, Medrano, Juan Bernete, Bernlöhr, Konrad, Berti, Alessio, Beshley, Vasyl, Bhattacharjee, Pooja, Bhattacharyya, Saptashwa, Bi, Baiyang, Biederbeck, Noah, Biland, Adrian, Bissaldi, Elisabetta, Blanch, Oscar, Blazek, Jiri, Boisson, Catherine, Bolmont, Julien, Bonnoli, Giacomo, Bordas, Pol, Bošnjak, Željka, Bradascio, Federica, Braiding, Catherine, Bronzini, Ettore, Brose, Robert, Brown, Anthony M., Brun, Francois, Brunelli, Giulia, Bulgarelli, Andrea, Burelli, Irene, Burmistrov, Leonid, Burton, Michael, Bylund, Tomas, Calisse, Paolo Gherardo, Campoy-Ordaz, Anna, Cantlay, Brandon Khan, Capalbi, Milvia, Caproni, Anderson, Capuzzo-Dolcetta, Roberto, Carlile, Colin, Caroff, Sami, Carosi, Roberto, Carrasco, Marie-Sophie, Cascone, Enrico, Cassol, Franca, Castrejon, Noelia, Catalani, Fernando, Cerasole, Davide, Cerruti, Matteo, Chaty, Sylvain, Chen, Andrew W, Chernyakova, Maria, Chiavassa, Andrea, Chudoba, Jiří, Araujo, Carlos Henrique Coimbra, Conforti, Vito, Conte, Francesco, Contreras, Jose Luis, Cossou, Christophe, Costa, Alessandro, Costantini, Heide, Cristofari, Pierre, Cuevas, Omar, Curtis-Ginsberg, Zachary, D'Amico, Giacomo, D'Ammando, Filippo, Dadina, Mauro, Dalchenko, Mykhailo, David, Ludovic, Davids, Isak Delberth, Dazzi, Francesco, De Angelis, Alessandro, de Lavergne, Mathieu de Bony, De Caprio, Vincenzo, De Cesare, Giovanni, Pino, Elisabete M. de Gouveia Dal, De Lotto, Barbara, de Lucia, Mario, de Menezes, Raniere, de Naurois, Mathieu, Wilhelmi, Emma de Oña, De Simone, Nicola, de Souza, Vitor, Del Peral, Luis, del Valle, Maria Victoria, Delagnes, Eric, Giler, Andres Gabriel Delgado, Delgado, Carlos, Dell'aiera, Michael, Della Ceca, Roberto, Della Valle, Massimo, Della Volpe, Domenico, Depaoli, Davide, Dettlaff, Antonios, Di Girolamo, Tristano, Di Piano, Ambra, Di Pierro, Federico, Di Tria, Riccardo, Di Venere, Leonardo, Díaz-Bahamondes, Christian, Dib, Claudio, Diebold, Sebastian, Dima, Razvan, Dinesh, Adithiya, Djannati-Ataï, Arache, Djuvsland, Julia Isabel, Dominguez, Alberto, Dominik, Rune Michael, Donini, Alice, Dorner, Daniela, Dörner, Julien, Doro, Michele, Anjos, Rita de Cassia dos, Dournaux, Jean-Laurent, Dravins, Dainis, Duangchan, Chaimongkol, Dubos, Coline, Ducci, Lozenzo, Dwarkadas, Vikram V., Ebr, Jan, Eckner, Christopher, Egberts, Kathrin, Einecke, Sabrina, Elsässer, Dominik, Emery, Gabriel, Godoy, Miguel Escobar, Escudero, Juan, Esposito, Paolo, Falceta-Gonçalves, Diego, Ramazani, Vandad Fallah, Faure, Alice, Fedorova, Elena, Fegan, Stephen, Feijen, Kirsty, Feng, Qi, Ferrand, Gilles, Ferrarotto, Fabio, Fiandrini, Emanuele, Fiasson, Armand, Fioretti, Valentina, Foffano, Luca, Guiteras, Lluis Font, Fontaine, Gerard, Fröse, Stefan, Fukami, Satoshi, Fukui, Yasuo, Funk, Stefan, Gaggero, Daniele, Galanti, Giorgio, Galaz, Gaspar, Gallant, Yves A., Gallozzi, Stefano, Gammaldi, Viviana, Gasbarra, Claudio, Gaug, Markus, Ghalumyan, Arsen, Gianotti, Fulvio, Giarrusso, Marina, Giglietto, Nicola, Giordano, Francesco, Giuliani, Andrea, Glicenstein, Jean-Francois, Glombitza, Jonas, Goldoni, Paolo, González, José Mauricio, González, Maria Magdalena, Coelho, Jaziel Goulart, Granot, Jonathan, Grasso, Dario, Haro, Roger Grau, Green, David, Greenshaw, Tim, Grolleron, Guillaume, Grube, Jeff, Gueta, Orel, Gunji, Shuichi, Hadasch, Daniela, Hamal, Petr, Hanlon, William, Hara, Satoshi, Harvey, Violet M., Hashiyama, Kazuaki, Hassan, Tarek, Heller, Matthieu, Cadena, Sergio Hernández, Hie, Jonathan, Hiroshima, Nagisa, Hnatyk, Bohdan, Hnatyk, Roman, Hoffmann, Dirk, Hofmann, Werner, Holler, Markus, Horan, Deirdre, Horvath, Pavel, Hovatta, Talvikki, Hrupec, Dario, Hussain, Saqib, Iarlori, Marco, Inada, Tomohiro, Incardona, Federico, Inome, Yusuke, Inoue, Susumu, Iocco, Fabio, Ishio, Kazuma, Jamrozy, Marek, Janecek, Petr, Jankowsky, Felix, Jarnot, Christian, Jean, Pierre, Martínez, Irene Jiménez, Jin, Weidong, Jocou, Laurent, Juramy-Gilles, Claire, Jurysek, Jakub, KALEKIN, Oleg, Kantzas, Dimitrios, Karas, Vladimir, Kaufmann, Sarah, Kerszberg, Daniel, Khelifi, Bruno, Kieda, David B, Kleiner, Tobias Kai, Kluźniak, Włodzimierz, Kobayashi, Yukiho, Kohri, Kazunori, Komin, Nukri, Kornecki, Paula, Kosack, Karl, Kubo, Hidetoshi, Kushida, Junko, La Barbera, Antonino, La Palombara, Nicola, Lainez, Maria, Lamastra, Alessandra, Lapington, Jon S, Lazarevic, Sanja, Lazendic-Galloway, Jasmina, Leach, Steven, Lemoine-Goumard, Marianne, Lenain, Jean-Philippe, Leto, Giuseppe, Leuschner, Fabian, Lindfors, Elina, Linhoff, Maximilian, Liodakis, Ioannis, Loïc, Lozach, Lombardi, Saverio, Longo, Francesco, López-Coto, Rubén, López-Moya, Marcos, López-Oramas, Alicia, Loporchio, Serena, Bahilo, Julio Lozano, Luque-Escamilla, Pedro L., Macias, Oscar, Maier, Gernot, Majumdar, Pratik, Malyshev, Denys, Malyshev, Dmitry, Mandat, Dusan, Manicò, Giulio, Marinos, Peter David, Markoff, Sera, Márquez, Isabel, Marquez, Patricia, Marsella, Giovanni, Martí, Josep, Martin, Pierrick, Martínez, Gustavo Augusto, Martínez, Manel, Martinez, Oibar, Marty, Christophe, Mas-Aguilar, Alvaro, Mastropietro, Michele, Maurin, Gilles, Max-Moerbeck, Walter, Mazin, Daniel, Melkumyan, David, Menchiari, Stefano, Mestre, Enrique, Meunier, Jean-Luc, Meyer, Dominique M. -A., Miceli, Davide, Michailidis, Miltiadis, Michałowski, Jerzy, Miener, Tjark, Miranda, Jose Miguel, Mitchell, Alison, Mizote, Masaya, Mizuno, Tsunefumi, Moderski, Rafal, Mohrmann, Lars, Molero, Miguel, Molfese, Cesare, Molina, Edgar, Montaruli, Teresa, Moralejo, Abelardo, Morcuende, Daniel, Morik, Katharina, Morselli, Aldo, Moulin, Emmanuel, Zamanillo, Victor Moya, Mukherjee, Reshmi, Munari, Kevin, Muraczewski, Adam, Muraishi, Hiroshi, Nakamori, Takeshi, Nayak, Amrit, Nemmen, Rodrigo, Nickel, Lukas, Niemiec, Jacek, Nieto, Daniel, Rosillo, Mireia Nievas, Nikołajuk, Marek, Nishijima, Kyoshi, Noda, Koji, Nosek, Dalibor, Novosyadlyj, Bohdan, Novotný, Vladimír, Nozaki, Seiya, O'Brien, Paul, Ohishi, Michiko, Ohtani, Yoshiki, Okumura, Akira, Olive, Jean-François, Olmi, Barbara, Ong, Rene A., Orienti, Monica, Orito, Reiko, Orlandini, Mauro, Orlando, Elena, Ostrowski, Michal, Otte, Nepomuk, Oya, Igor, Pagano, Isabella, Pagliaro, Antonio, Palatiello, Michele, Panebianco, Gabriele, Paredes, Josep M., Parmiggiani, Nicolò, Patel, Sonal Ramesh, Pavlović, Dijana, Pe'er, Asaf, Pech, Miroslav, Pecimotika, Mario, Peresano, Michele, Pérez-Romero, Judit, Peron, Giada, Persic, Massimo, Petrucci, Pierre-Olivier, Petruk, Oleh, Pfeifle, Felix, Pintore, Fabio, Pirola, Giorgio, Pittori, Carlotta, Plard, Cyann, Podobnik, Franjo, Pohl, Martin, Pons, Estelle, Prandini, Elisa, Prast, Julie, Principe, Giacomo, Priyadarshi, Chaitanya, Produit, Nicolas, Prokhorov, Dmitry, Pueschel, Elisa, Pühlhofer, Gerd, Pumo, Maria Letizia, Punch, Michael, Quirrenbach, Andreas, Raino, Silvia, Randazzo, Nunzio, Rando, Riccardo, Ravel, Thierry, Razzaque, Soebur, Regeard, Maxime, Reichherzer, Patrick, Reimer, Anita, Reimer, Olaf, Reisenegger, Andreas, Reposeur, Thierry, Reville, Brian, Rhode, Wolfgang, Ribó, Marc, Richtler, Tom, Rieger, Frank, Roache, Emmet, Fernandez, Gonzalo Rodriguez, Frías, Maria Dolores Rodríguez, Rodríguez-Vázquez, Juan José, Romano, Patrizia, Romeo, Giuseppe, Rosado, Jaime, Rowell, Gavin P, Rudak, Bronislaw, Ruiter, Ashley J., Rulten, Cameron Boyd, Russo, Federico, Sadeh, Iftach, Saha, Lab, Saito, Takayuki, Sakurai, Shunsuke, Salzmann, Heiko, Sanchez, David, Sanchez-Conde, Miguel, Sangiorgi, Pierluca, Sano, Hidetoshi, Santander, Marcos, Santangelo, Andrea, Santos-Lima, Reinaldo, Sanuy, Andreu, Šarić, Toni, Sarkar, Arkadipta, Sarkar, Subir, Saturni, Francesco Gabriele, Savchenko, Volodymyr, Scherer, Andres, Schipani, Pietro, Schleicher, Bernd, Schovanek, Petr, Schubert, Jan Lukas, Schwanke, Ullrich, Schwefer, Georg, Scuderi, Salvatore, Arroyo, Monica Seglar, Seitenzahl, Ivo, Sergijenko, Olga, Sguera, Vito, Shang, Ruo-Yu, Sharma, Pooja, Sidibe, Guereguin Der Sylvestre, Sidoli, Lara, Siejkowski, Hubert, Siqueira, Clarissa, Sizun, Patrick, Sliusar, Vitalii, Slowikowska, Agnieszka, Sol, Helene, Specovius, Andreas, Spencer, Samuel Timothy, Spiga, Daniele, Stamerra, Antonio, Stanič, Samo, Starecki, Tomasz, Starling, Rhaana, Steppa, Constantin, Stolarczyk, Thierry, Strišković, Jelena, Strzys, Marcel C., Suda, Yusuke, Suomijarvi, Tiina, Tak, Donggeun, Takahashi, Mitsunari, Takeishi, Ryuji, Tam, Pak-Hin Thomas, Tanaka, Shuta J, Tanaka, Takaaki, Terauchi, Kenta, Testa, Vincenzo, Tibaldo, Luigi, Tibolla, Omar, Torradeflot, Francesc, Torres, Diego F., Torresi, Eleonora, Tothill, Nick, Toussenel, Francois, Touzard, Victoria, Tramacere, Andrea, Travnicek, Petr, Tripodo, Giovanni, Truzzi, Stefano, Tsiahina, Adellain, Tutone, Antonio, Vacula, Martin, Vallage, Bertrand, Vallania, Piero, Vallés, Ramon, van Eldik, Christopher, van Scherpenberg, Juliane, Vandenbroucke, Justin, Vassiliev, Vladimir, Venault, Philippe, Ventura, Sofia, Vercellone, Stefano, Verna, Gaia, Viana, Aion, Viaux, Nicolás, Vigliano, Alessandro, Vignatti, Jonatan, Vigorito, Carlo francesco, Vitale, Vincenzo, Vodeb, Veronika, Voisin, Vincent, Vorobiov, Serguei, Voutsinas, Georgios Gerasimos, Vovk, Ievgen, Waegebaert, Vincent, Wagner, Stefan Joachim, Walter, Roland, Ward, Martin, Wechakama, Maneenate, White, Richard, Wierzcholska, Alicja, Will, Martin, Williams, David A., Wohlleben, Frederik, Wolter, Anna, Yamamoto, Tokonatsu, Yamazaki, Ryo, Yang, Lili, Yoshida, Tatsuo, Yoshikoshi, Takanori, Zacharias, Michael, Sanchez, Ricardo Zanmar, Zavrtanik, Danilo, Zavrtanik, Marko, Zdziarski, Andrzej A., Zech, Andreas, Zhdanov, Valery I., Ziȩtara, Krzysztof, Živec, Miha, and Zuriaga-Puig, Jaume

Subjects
Astrophysics - High Energy Astrophysical Phenomena
Abstract

The detection of gravitational waves from a binary neutron star merger by Advanced LIGO and Advanced Virgo (GW170817), along with the discovery of the electromagnetic counterparts of this gravitational wave event, ushered in a new era of multimessenger astronomy, providing the first direct evidence that BNS mergers are progenitors of short gamma-ray bursts (GRBs). Such events may also produce very-high-energy (VHE, > 100GeV) photons which have yet to be detected in coincidence with a gravitational wave signal. The Cherenkov Telescope Array (CTA) is a next-generation VHE observatory which aims to be indispensable in this search, with an unparalleled sensitivity and ability to slew anywhere on the sky within a few tens of seconds. New observing modes and follow-up strategies are being developed for CTA to rapidly cover localization areas of gravitational wave events that are typically larger than the CTA field of view. This work will evaluate and provide estimations on the expected number of of gravitational wave events that will be observable with CTA, considering both on- and off-axis emission. In addition, we will present and discuss the prospects of potential follow-up strategies with CTA., Comment: Presented at the 38th International Cosmic Ray Conference (ICRC 2023), 2023 (arXiv:2309.08219)

Published
2023

23. Discovery of a Radiation Component from the Vela Pulsar Reaching 20 Teraelectronvolts

Author

Collaboration, The H. E. S. S., Aharonian, F., Benkhali, F. Ait, Aschersleben, J., Ashkar, H., Backes, M., Martins, V. Barbosa, Batzofin, R., Becherini, Y., Berge, D., Bernlöhr, K., Bi, B., Böttcher, M., Boisson, C., Bolmont, J., de Lavergne, M. de Bony, Borowska, J., Bradascio, F., Breuhaus, M., Brose, R., Brun, F., Bruno, B., Bulik, T., Burger-Scheidlin, C., Bylund, T., Cangemi, F., Caroff, S., Casanova, S., Celic, J., Cerruti, M., Chand, T., Chandra, S., Chen, A., Chibueze, O., Cotter, G., Mbarubucyeye, J. Damascene, Djannati-Ataï, A., Dmytriiev, A., Egberts, K., Ernenwein, J. -P., Feijen, K., Fiasson, A., de Clairfontaine, G. Fichet, Fontaine, G., Füßling, M., Funk, S., Gabici, S., Gallant, Y. A., Ghafourizadeh, S., Giavitto, G., Giunti, L., Glawion, D., Glicenstein, J. F., Goswami, P., Grolleron, G., Grondin, M. -H., Haerer, L., Haupt, M., Hinton, J. A., Hofmann, W., Holch, T. L., Holler, M., Horns, D., Huang, Zhiqiu, Jamrozy, M., Jankowsky, F., Joshi, V., Jung-Richardt, I., Kasai, E., Katarzyński, K., Khélifi, B., Klepser, S., Kluźniak, W., Komin, Nu., Kosack, K., Kostunin, D., Lang, R. G., Stum, S. Le, Lemière, A., Lemoine-Goumard, M., Lenain, J. -P., Leuschner, F., Lohse, T., Luashvili, A., Lypova, I., Mackey, J., Malyshev, D., Marandon, V., Marchegiani, P., Marcowith, A., Marinos, P., Martí-Devesa, G., Marx, R., Maurin, G., Meyer, M., Mitchell, A., Moderski, R., Mohrmann, L., Montanari, A., Moulin, E., Muller, J., Murach, T., Nakashima, K., de Naurois, M., Niemiec, J., Noel, A. Priyana, OBrien, P., Ohm, S., Olivera-Nieto, L., Wilhelmi, E. de Ona, Ostrowski, M., Panny, S., Panter, M., Parsons, R. D., Peron, G., Pita, S., Prokhorov, D. A., Prokoph, H., Pühlhofer, G., Punch, M., Quirrenbach, A., Reichherzer, P., Reimer, A., Reimer, O., Renaud, M., Rieger, F., Rowell, G., Rudak, B., Ruiz-Velasco, E., Sahakian, V., Sailer, S., Salzmann, H., Sanchez, D. A., Santangelo, A., Sasaki, M., Schüssler, F., Schwanke, U., Shapopi, J. N. S., Sinha, A., Sol, H., Specovius, A., Spencer, S., Spir-Jacob, M., Stawarz, L., Steenkamp, R., Steinmassl, S., Steppa, C., Sushch, I., Suzuki, H., Takahashi, T., Tanaka, T., Tavernier, T., Terrier, R., Thorpe-Morgan, C., Tluczykont, M., Tsirou, M., Tsuji, N., van Eldik, C., Vecchi, M., Veh, J., Venter, C., Vink, J., Wagner, S. J., Werner, F., White, R., Wierzcholska, A., Wong, Yu Wun, Yassin, H., Zacharias, M., Zargaryan, D., Zdziarski, A. A., Zech, A., Zhu, S. J., Zouari, S., Żywucka, N., Zanin, R., Kerr, M., Johnston, S., Shannon, R. M., and Smith, D. A.

Subjects
Astrophysics - High Energy Astrophysical Phenomena
Abstract

Gamma-ray observations have established energetic isolated pulsars as outstanding particle accelerators and antimatter factories in the Galaxy. There is, however, no consensus regarding the acceleration mechanisms and the radiative processes at play, nor the locations where these take place. The spectra of all observed gamma-ray pulsars to date show strong cutoffs or a break above energies of a few gigaelectronvolt (GeV). Using the H.E.S.S. array of Cherenkov telescopes, we discovered a novel radiation component emerging beyond this generic GeV cutoff in the Vela pulsar's broadband spectrum. The extension of gamma-ray pulsation energies up to at least 20 teraelectronvolts (TeV) shows that Vela pulsar can accelerate particles to Lorentz factors higher than $4\times10^7$. This is an order of magnitude larger than in the case of the Crab pulsar, the only other pulsar detected in the TeV energy range. Our results challenge the state-of-the-art models for high-energy emission of pulsars while providing a new probe, i.e. the energetic multi-TeV component, for constraining the acceleration and emission processes in their extreme energy limit., Comment: 38 pages, 6 figures. This preprint has not undergone peer review or any post-submission improvements or corrections. The Version of Record of this article is published in Nature Astronomy, Nat Astron (2023), and is available online at https://doi.org/10.1038/s41550-023-02052-3

Published
2023
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24. The cortical representation of language timescales is shared between reading and listening

Author

Chen, Catherine, Dupré la Tour, Tom, Gallant, Jack L, Klein, Daniel, and Deniz, Fatma

Subjects
Biological Sciences, Biomedical and Clinical Sciences, Neurosciences, Behavioral and Social Science, Basic Behavioral and Social Science, 1.1 Normal biological development and functioning, Neurological, Humans, Reading, Language, Cerebral Cortex, Brain, Brain Mapping, Biological sciences, Biomedical and clinical sciences
Abstract

Language comprehension involves integrating low-level sensory inputs into a hierarchy of increasingly high-level features. Prior work studied brain representations of different levels of the language hierarchy, but has not determined whether these brain representations are shared between written and spoken language. To address this issue, we analyze fMRI BOLD data that were recorded while participants read and listened to the same narratives in each modality. Levels of the language hierarchy are operationalized as timescales, where each timescale refers to a set of spectral components of a language stimulus. Voxelwise encoding models are used to determine where different timescales are represented across the cerebral cortex, for each modality separately. These models reveal that between the two modalities timescale representations are organized similarly across the cortical surface. Our results suggest that, after low-level sensory processing, language integration proceeds similarly regardless of stimulus modality.

Published
2024

25. A green solvent enables precursor phase engineering of stable formamidinium lead triiodide perovskite solar cells

Author

Gallant, Benjamin M., Holzhey, Philippe, Smith, Joel A., Choudhary, Saqlain, Elmestekawy, Karim A., Caprioglio, Pietro, Levine, Igal, Sheader, Alexandra A., Hung, Esther Y-H., Yang, Fengning, Toolan, Daniel T. W., Kilbride, Rachel C., Zaininger, Karl-Augustin, Ball, James M., Christoforo, M. Greyson, Noel, Nakita K., Herz, Laura M., Kubicki, Dominik J., and Snaith, Henry J.

Published
2024
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34. Implementing a pharmacist-integrated collaborative model of medication treatment for opioid use disorder in primary care: study design and methodological considerations

Author

McLeman, Bethany, Gauthier, Phoebe, Lester, Laurie S., Homsted, Felicity, Gardner, III, Vernon, Moore, Sarah K., Joudrey, Paul J., Saldana, Lisa, Cochran, Gerald, Harris, Jacklyn P., Hefner, Kathryn, Chongsi, Edward, Kramer, Kimberly, Vena, Ashley, Ottesen, Rebecca A., Gallant, Tess, Boggis, Jesse S., Rao, Deepika, Page, Marjorie, Cox, Nicholas, Iandiorio, Michelle, Ambaah, Ekow, Ghitza, Udi, Fiellin, David A., and Marsch, Lisa A.

Published
2024
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36. Dose-dependent reduction of somatic expansions but not Htt aggregates by di-valent siRNA-mediated silencing of MSH3 in HdhQ111 mice

Author

Driscoll, Rachelle, Hampton, Lucas, Abraham, Neeta A., Larigan, J. Douglas, Joseph, Nadine F., Hernandez-Vega, Juan C., Geisler, Sarah, Yang, Fu-Chia, Deninger, Matthew, Tran, David T., Khatri, Natasha, Godinho, Bruno M. D. C., Kinberger, Garth A., Montagna, Daniel R., Hirst, Warren D., Guardado, Catherine L., Glajch, Kelly E., Arnold, H. Moore, Gallant-Behm, Corrie L., and Weihofen, Andreas

Published
2024
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40. StrataXRT for the prevention of acute radiation dermatitis in breast cancer: a pilot study

Author

Kennedy, Samantha K. F., Gojsevic, Milena, Rajeswaran, Thenugaa, Zhang, Liying, Kuszaj, Olivia, Day, Marley, Karam, Irene, Vesprini, Danny, Leung, Eric, Szumacher, Ewa, Rakovitch, Eileen, Soliman, Hany, Chen, Hanbo, Lee, Shing Fung, Behroozian, Tara, Tran, William, Wronski, Matt, Gallant, Francois, Carothers, Katherine, Yewhans, Tiegsti, Wong, Cindy, Wong, Henry, and Chow, Edward

Published
2024
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41. A green solvent enables precursor phase engineering of stable formamidinium lead triiodide perovskite solar cells

Author

Benjamin M. Gallant, Philippe Holzhey, Joel A. Smith, Saqlain Choudhary, Karim A. Elmestekawy, Pietro Caprioglio, Igal Levine, Alexandra A. Sheader, Esther Y-H. Hung, Fengning Yang, Daniel T. W. Toolan, Rachel C. Kilbride, Karl-Augustin Zaininger, James M. Ball, M. Greyson Christoforo, Nakita K. Noel, Laura M. Herz, Dominik J. Kubicki, and Henry J. Snaith

Subjects
Science
Abstract

Abstract Perovskite solar cells (PSCs) offer an efficient, inexpensive alternative to current photovoltaic technologies, with the potential for manufacture via high-throughput coating methods. However, challenges for commercial-scale solution-processing of metal-halide perovskites include the use of harmful solvents, the expense of maintaining controlled atmospheric conditions, and the inherent instabilities of PSCs under operation. Here, we address these challenges by introducing a high volatility, low toxicity, biorenewable solvent system to fabricate a range of 2D perovskites, which we use as highly effective precursor phases for subsequent transformation to α-formamidinium lead triiodide (α-FAPbI3), fully processed under ambient conditions. PSCs utilising our α-FAPbI3 reproducibly show remarkable stability under illumination and elevated temperature (ISOS-L-2) and “damp heat” (ISOS-D-3) stressing, surpassing other state-of-the-art perovskite compositions. We determine that this enhancement is a consequence of the 2D precursor phase crystallisation route, which simultaneously avoids retention of residual low-volatility solvents (such as DMF and DMSO) and reduces the rate of degradation of FA+ in the material. Our findings highlight both the critical role of the initial crystallisation process in determining the operational stability of perovskite materials, and that neat FA+-based perovskites can be competitively stable despite the inherent metastability of the α-phase.

Published
2024
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42. MIAMI: development and validation of a revised measure of academic misconduct

Author

David A. Rettinger, Holly Tatum, Andrew H. Perry, Courtney Cullen, Jason M. Stephens, Tricia Bertram Gallant, Darragh McNally, Melissa L. McTernan, and Eric M. Anderman

Subjects
Academic integrity, Cheating, Academic misconduct, Climate, Peer norms, Moral attitudes, Theory and practice of education, LB5-3640
Abstract

Abstract Academic misconduct remains a perennial concern in tertiary education around the globe. Research intended to explain this phenomenon has been conducted for almost 100 years. One of the most cited researchers is Donald McCabe, whose work was rooted in a survey instrument he developed in the late 1980s and distributed to 100,000 + students over the following two decades. Recognizing the need to continue to understand academic misconduct in the 21st century context, the present study updated and validated the original McCabe instrument as an inventory of academic misconduct behaviors, and derived psychometrically sound factors of the same to enable researchers to examine the predictors of these behaviors. Specifically, our updated instrument (named MIAMI: McCabe/ICAI Academic Misconduct Inventory) was shown to have construct validity through associations with the following predictors in a survey of tertiary students (n = 2329): academic integrity climate, peer norms, moral attitudes, and achievement goal structures. The updated survey will facilitate further research that will advance our understanding of academic misconduct and test the efficacy of interventions designed to promote academic integrity.

Published
2024
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43. Effects of simulated smoke condensate generated from combustion of selected military burn pit contents on human airway epithelial cells

Author

Arunava Ghosh, Keith L. Rogers, Samuel C. Gallant, Yong Ho Kim, Julia E. Rager, M. Ian Gilmour, Scott H. Randell, and Ilona Jaspers

Subjects
Burn pit, Waste, Human airway epithelial cells, Differential expression of genes, RNA sequencing, Toxicology. Poisons, RA1190-1270, Industrial hygiene. Industrial welfare, HD7260-7780.8
Abstract

Abstract Background Exposure to military burn pit smoke during deployment is associated with different respiratory and non-respiratory diseases. However, information linking smoke exposure to human pulmonary health is lacking. This study examined the effects of simulated burn pit smoke condensates on human airway epithelial cells (HAECs) from twelve donors (smokers/non-smokers, biological female/male) cultured at an air-liquid interface and exposed to condensates from three simulated burn pit waste materials (cardboard, plywood, and plastic) incinerated at two combustion conditions: smoldering and flaming. Cellular gene expression was analyzed using bulk RNA sequencing, and basolateral media cytokine levels were assessed using multiplex immunoassay. Results Flaming smoke condensates caused more significant differentially expressed genes (DEGs) with plywood flaming smoke being the most potent in altering gene expression and modulating cytokine release. Cardboard and plywood flaming condensates primarily activated detoxification pathways, whereas plastic flaming affected genes related to anti-microbial and inflammatory responses. Correlation analysis between smoke condensate chemicals and gene expression to understand the underlying mechanism revealed crucial role of oxygenated polycyclic aromatic hydrocarbons (PAHs) and aluminum, molybdenum, and silicon elements; IL6 expression was positively correlated with most PAHs. Stratification of data based on HAEC donor demographics suggests that these affect gene expression changes. Enrichment analysis indicated similarity with several deployment-related presumptive and reported diseases, including asthma, emphysema, and cancer of different organs. Conclusions This study highlights that simulated burn pit smoke exposure of HAECs causes gene expression changes indicative of deployment-related diseases with more pronounced effects seen in smokers and females. Future studies are needed to further characterize how sex and smoking status affect deployment-related diseases.

Published
2024
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44. Restrained Eating and Alcohol Use: Testing Drinking to Cope and Impulsivity as Moderators

Author

Charlotte Corran, Mayesha Khan, Stephanie Gallant, Uri Shalev, and Roisin M. O'Connor

Abstract

The association between restrained eating and alcohol use remains poorly understood among undergraduates. Consistent with tension reduction theory, individuals with disordered eating may be motivated to drink alcohol to cope with negative emotionality. Perhaps what pushes them to drink despite restriction goals is impulsivity. The combined impact of drinking to cope and impulsivity on the theoretically complex link between restrained eating and alcohol outcomes has not been previously examined. The current study tested the moderating effect of drinking to cope and impulsivity on the association between restrained eating and alcohol use and problems. Undergraduates (N = 1,619) self-reported on eating disorder symptoms, alcohol use motives, impulsivity, and alcohol outcomes. A moderation model revealed that restrained eating predicted past 30-day alcohol use, but only for women high in both drinking to cope and impulsivity. These findings help characterize alcohol misuse risk among young adults who restrict their eating, thereby, results may inform interventions.

Published
2024
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45. The Transformational Impact of Hope

Author

Laura Gallant

Abstract

Educators and caregivers can foster emotional wellbeing, growth, and resilience, contributing to a fulfilling and balanced adulthood by providing positive childhood experiences (PCEs). PCEs protect the brain and promote healing for people who have experienced adverse childhood environments (ACEs). In the presence of PCEs, adverse experiences in childhood do not always result in lifelong poor mental health. Knowing that PCEs can prevent ACEs, block toxic stress, and promote healing, the HOPE framework incorporates PCEs alongside ACEs. HOPE (Healthy Outcomes from Positive Experiences) is a framework that changes the way service providers engage with children and families. This article examines how the HOPE National Resource Center is transforming systems to create a research-based structured approach to care through PCEs.

Published
2024
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46. Enhancing Moral Sensitivity in the Aftermath of Academic Misconduct: Results from a Quasi-Experimental Field Study

Author

Jason M. Stephens and Tricia Bertram Gallant

Abstract

Most secondary and postsecondary institutions take a behavioral approach in dealing with student cheating--punishing those caught with grade reductions and/or suspensions. While some form of punishment may be necessary, it is not sufficient. As an instantiation of negative morality, academic misconduct offers an opportunity for moral education. The present investigation builds on the literature related to developmental approaches in responding to academic misconduct. It does so by describing theoretical underpinnings and instructional design of a developmental approach (Intervention), as well as results from a quasi-experimental study of its effects on moral sensitivity. Participants (N = 798) included university students who had been found responsible for academic misconduct and completed the Intervention. As hypothesized, participants not only reported greater attentiveness to moral issues after completing the Intervention, they also demonstrated greater awareness of the moral values related to academic misconduct. The implications and limitations of these findings are discussed.

Published
2024
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47. Assessing Thermodynamic Selectivity of Solid-State Reactions for the Predictive Synthesis of Inorganic Materials

Author

McDermott, Matthew J., McBride, Brennan C., Regier, Corlyn, Tran, Gia Thinh, Chen, Yu, Corrao, Adam A., Gallant, Max C., Kamm, Gabrielle E., Bartel, Christopher J., Chapman, Karena W., Khalifah, Peter G., Ceder, Gerbrand, Neilson, James R., and Persson, Kristin A.

Subjects
Condensed Matter - Materials Science
Abstract

Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedures. We introduce two selectivity metrics, primary and secondary competition, to assess the favorability of target/impurity phase formation in solid-state reactions. We used these metrics to analyze 3,520 solid-state reactions in the literature, ranking existing approaches to popular target materials. Additionally, we implemented these metrics in a data-driven synthesis planning workflow and demonstrated its application in the synthesis of barium titanate (BaTiO$_3$). Using an 18-element chemical reaction network with first-principles thermodynamic data from the Materials Project, we identified 82,985 possible BaTiO$_3$ synthesis reactions and selected nine for experimental testing. Characterization of reaction pathways via synchrotron powder X-ray diffraction reveals that our selectivity metrics correlate with observed target/impurity formation. We discovered two efficient reactions using unconventional precursors (BaS/BaCl$_2$ and Na$_2$TiO$_3$) that produce BaTiO$_3$ faster and with fewer impurities than conventional methods, highlighting the importance of considering complex chemistries with additional elements during precursor selection. Our framework provides a foundation for predictive inorganic synthesis, facilitating the optimization of existing recipes and the discovery of new materials, including those not easily attainable with conventional precursors., Comment: Minor revisions (updated abstract, added discussion, added precursor purities, formatting). The first two authors contributed equally to this work. 53 pages, 7 figures

Published
2023
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49. An autonomous laboratory for the accelerated synthesis of novel materials

Author

Szymanski, Nathan J, Rendy, Bernardus, Fei, Yuxing, Kumar, Rishi E, He, Tanjin, Milsted, David, McDermott, Matthew J, Gallant, Max, Cubuk, Ekin Dogus, Merchant, Amil, Kim, Haegyeom, Jain, Anubhav, Bartel, Christopher J, Persson, Kristin, Zeng, Yan, and Ceder, Gerbrand

Subjects
Information and Computing Sciences, Artificial Intelligence, Chemical Sciences, Machine Learning and Artificial Intelligence, Networking and Information Technology R&D (NITRD), Data Science, General Science & Technology
Abstract

To close the gap between the rates of computational screening and experimental realization of novel materials1,2, we introduce the A-Lab, an autonomous laboratory for the solid-state synthesis of inorganic powders. This platform uses computations, historical data from the literature, machine learning (ML) and active learning to plan and interpret the outcomes of experiments performed using robotics. Over 17 days of continuous operation, the A-Lab realized 41 novel compounds from a set of 58 targets including a variety of oxides and phosphates that were identified using large-scale ab initio phase-stability data from the Materials Project and Google DeepMind. Synthesis recipes were proposed by natural-language models trained on the literature and optimized using an active-learning approach grounded in thermodynamics. Analysis of the failed syntheses provides direct and actionable suggestions to improve current techniques for materials screening and synthesis design. The high success rate demonstrates the effectiveness of artificial-intelligence-driven platforms for autonomous materials discovery and motivates further integration of computations, historical knowledge and robotics.

Published
2023

50. Assessing Thermodynamic Selectivity of Solid-State Reactions for the Predictive Synthesis of Inorganic Materials.

Author

McDermott, Matthew, McBride, Brennan, Regier, Corlyn, Tran, Gia, Chen, Yu, Corrao, Adam, Gallant, Max, Kamm, Gabrielle, Bartel, Christopher, Chapman, Karena, Khalifah, Peter, Neilson, James, Ceder, Gerbrand, and Ceder-Persson, Kristin

Abstract

Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedures. We introduce two selectivity metrics, primary and secondary competition, to assess the favorability of target/impurity phase formation in solid-state reactions. We used these metrics to analyze 3520 solid-state reactions in the literature, ranking existing approaches to popular target materials. Additionally, we implemented these metrics in a data-driven synthesis planning workflow and demonstrated its application in the synthesis of barium titanate (BaTiO3). Using an 18-element chemical reaction network with first-principles thermodynamic data from the Materials Project, we identified 82985 possible BaTiO3 synthesis reactions and selected 9 for experimental testing. Characterization of reaction pathways via synchrotron powder X-ray diffraction reveals that our selectivity metrics correlate with observed target/impurity formation. We discovered two efficient reactions using unconventional precursors (BaS/BaCl2 and Na2TiO3) that produce BaTiO3 faster and with fewer impurities than conventional methods, highlighting the importance of considering complex chemistries with additional elements during precursor selection. Our framework provides a foundation for predictive inorganic synthesis, facilitating the optimization of existing recipes and the discovery of new materials, including those not easily attainable with conventional precursors.

Published
2023

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