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Ultra-light bosons, naturally appearing in well-motivated extensions to the Standard Model, can constitute all the dark matter. Models with particle mass close to the smallest phenomenologically allowed exhibit coherent field configurations at (sub)galactic scales, oscillating at a frequency corresponding to the fundamental mass of the dark matter particle. The gravitational field of these structures inherits the dark matter field's coherent oscillations, leaving an imprint on gravitational (and electromagnetic) waves sourced close to (or in) such overdensities. This happens via a heterodyning frequency modulation, which can later be decoded in a gravitational-wave detector. An analogous effect occurs in models with universal (conformal) couplings of ultra-light bosons with ordinary matter, generated by the direct interaction with the oscillating field. In this work, we explore this phenomenon in detail and assess the capability of near-future interferometers to probe ultra-light dark matter and its potential conformal couplings to matter. Using astrophysical population models, together with results from cosmological simulations, we find that the observation of gravitational waves from spinning neutron stars at the Galactic Centre with the Einstein Telescope/Cosmic Explorer would be particularly effective in constraining ultra-light dark matter., Comment: 23 pages, 10 figures

Radiation back-fluxes, generated from neutron-material interactions in fusion power reactors, can dramatically impact the plasma dynamics, e.g., by seeding runaway electrons during disruptions via Compton scattering of background electrons by wall-emitted gamma radiation. Here, we quantify these back-fluxes, including neutrons, gamma rays, and electrons, using Monte Carlo calculations for a range of structural material candidates and first wall thicknesses. The radiation back-flux magnitudes are remarkably large, with neutron and gamma radiation back-fluxes on the same order of magnitude as the incident fusion neutron flux. Electron back-fluxes are two orders of magnitudes lower, but are emitted at sufficiently high energies to provide a relatively large back-current through the sheath which may cause sheath reversal. Material configuration plays a key role in determining back-flux magnitudes. The structural material chiefly determines the neutron back-flux magnitude, while the first wall thickness principally attenuates the gamma ray and electron back-fluxes. In addition to prompt back-fluxes, which are emitted immediately after fusion neutrons impact the surface, significant delayed gamma ray and electron back-fluxes arise from nuclear decay processes in the activated materials. These delayed back-flux magnitudes range from 2%--7% of the prompt back-fluxes, and remain present during transients when fusion no longer occurs. During disruptions, build-up of delayed gamma radiation back-flux represents potential runaway electron seeding mechanisms, posing additional challenges for disruption mitigation in a power reactor compared with non-nuclear plasma operations. This work highlights the impact of these radiation back-fluxes plasma performance and demonstrates the importance of considering back-flux generation in materials selection for fusion power reactors., Comment: 33 pages (19 main, 14 supplementary). 29 figures (12 main, 17 supplementary). For submission to the Journal of Nuclear Materials

The slow microstructural evolution of materials often plays a key role in determining material properties. When the unit steps of the evolution process are slow, direct simulation approaches such as molecular dynamics become prohibitive and Kinetic Monte-Carlo (kMC) algorithms, where the state-to-state evolution of the system is represented in terms of a continuous-time Markov chain, are instead frequently relied upon to efficiently predict long-time evolution. The accuracy of kMC simulations however relies on the complete and accurate knowledge of reaction pathways and corresponding kinetics. This requirement becomes extremely stringent in complex systems such as concentrated alloys where the astronomical number of local atomic configurations makes the a priori tabulation of all possible transitions impractical. Machine learning models of transition kinetics have been used to mitigate this problem by enabling the efficient on-the-fly prediction of kinetic parameters. In this study, we show how physics-informed ML architectures can exactly enforce the detailed balance condition, by construction. Using the diffusion of a vacancy in a concentrated alloy as an example, we show that such ML architectures also exhibit superior performance in terms of prediction accuracy, demonstrating that the imposition of physical constraints can facilitate the accurate learning of barriers at no increase in computational cost., Comment: 20 pages, 11 figures

We investigate the effect of pressure on the carbon dioxide (CO$_{2}$) hydrate-water interfacial free energy along its dissociation line using advanced computer simulation techniques. In previous works, we have determined the interfacial energy of the hydrate at $400 \,\text{bar}$ using the TIP4P/ice and TraPPE molecular models for water and CO$_{2}$, respectively, in combination with two different extensions of the Mold Integration technique [J. Chem. Phys. 141, 134709 (2014)]. Results obtained from computer simulation, $29(2)$ and $30(2)\,\text{mJ/m}^{2}$, are found to be in excellent agreement with the only two measurements that exist in the literature, $28(6)\,\text{mJ/m}^{2}$ determined by Uchida et al. [J. Phys. Chem. B 106, 8202 (2002)] and $30(3)\,\text{mJ/m}^{2}$ by Anderson et al. [J. Phys. Chem. B 107, 3507 (2002)]. Since the experiments do not allow to obtain the variation of the interfacial energy along the dissociation line of the hydrate, we extend our previous studies to quantify the effect of pressure on the interfacial energy at different pressures. Our results suggest that there exists a correlation between the interfacial free energy values and the pressure, i.e., it decreases with the pressure between $100$ and $1000\,\text{bar}$. We expect that the combination of reliable molecular models and advanced simulation techniques could help to improve our knowledge of the thermodynamic parameters that control the interfacial free energy of hydrates from a molecular perspective., Comment: 7 pages, 4 figures

In this paper, the solubility of carbon dioxide (CO$_{2}$) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and TraPPE model for CO$_{2}$. In particular, the solubility of CO$_{2}$ in water when in contact with the CO$_{2}$ liquid phase, and the solubility of CO$_{2}$ in water when in contact with the hydrate have been determined. The solubility of CO$_{2}$ in a liquid-liquid system decreases as temperature increases. The solubility of CO$_{2}$ in a hydrate-liquid system increases with temperature. The two curves intersect at a certain temperature that determines the dissociation temperature of the hydrate at 400 bar ($T_{3}$). We compare the predictions with the $T_{3}$ obtained using the direct coexistence technique in a previous work. The results of both methods agree and we suggest 290(2)K as the value of $T_{3}$ for this system using the same cutoff distance for dispersive interactions. We also propose a novel and alternative route to evaluate the change in chemical potential for the formation of hydrate along the isobar. The new approach is based on the use of the solubility curve of CO$_{2}$ when the aqueous solution is in contact with the hydrate phase. It considers rigorously the non-ideality of the aqueous solution of CO$_{2}$, providing reliable values for driving force for nucleation of hydrates in good agreement with other thermodynamic routes used. It is shown that the driving force for hydrate nucleation at 400 bar is larger for the methane hydrate than for the carbon dioxide hydrate when compared at the same supercooling. We have also analyzed and discussed the effect of the cutoff distance of the dispersive interactions and the occupancy of CO$_{2}$ on the driving force for nucleation of the hydrate., Comment: 25 pages, 19 figures

Averaged local bond order parameters based on spherical harmonics, also known as Lechner and Dellago order parameters, are routinely used to determine crystal structures in molecular simulations. Among different options, the combination of the $\overline{q}_{4}$ and $\overline{q}_{6}$ parameters is one of the best choices in the literature since allows one to distinguish, not only between solid- and liquid-like particles but also between different crystallographic phases, including cubic and hexagonal phases. Recently, Algaba et al. [J. Colloid Interface Sci. 623, 354, (2022)] have used the Lechner and Dellago order parameters to distinguish hydrate- and liquid-like water molecules in the context of determining the carbon dioxide hydrate-water interfacial free energy. According to the results, the preferred combination previously mentioned is not the best option to differentiate between hydrate- and liquid-like water molecules. In this work, we revisit and extend the use of these parameters to deal with systems in which clathrate hydrates phases coexist with liquid phases of water. We consider carbon dioxide, methane, tetrahydrofuran, nitrogen, and hydrogen hydrates that exhibit sI and sII crystallographic structures. We find that the $\overline{q}_{3}$ and $\overline{q}_{12}$ combination is the best option possible between a large number of possible different pairs to distinguish between hydrate- and liquid-like water molecules in all cases., Comment: 18 pages, 8 figures

In this work, we determine the dissociation line of the nitrogen (N$_2$) hydrate by computer simulation using the TIP4P/Ice model for water and the TraPPE force field for N$_2$. We use the solubility method proposed recently by some of us to evaluate the dissociation temperature of the hydrate at different pressures, from 500 to 1500 bar. Particularly, we calculate the solubility of N$_2$ in the aqueous solution when it is in contact with a N$_2$-rich liquid phase and when in contact with the hydrate phase via planar interfaces as functions of temperature. Since the solubility of N$_2$ decreases with temperature in the first case and increases with temperature in the second case, both curves intersect at a certain temperature that determines the dissociation temperature at a given pressure. We find a good agreement between the predictions obtained in this work and the experimental data taken from the literature in the range of pressures considered in this work. From our knowledge of the solubility curves of N$_2$ in the aqueous solution, we also determine the driving force for nucleation of the hydrate, as a function of temperature, at different pressures. In particular, we use two different thermodynamic routes to evaluate the change in chemical potential for hydrate formation. Although the driving force for nucleation slightly decreases (in absolute value) when the pressure is increased, our results indicate that the effect of pressure can be considered negligible in the range of pressures studied in this work. To the best of our knowledge, this is the first time the driving force for nucleation of a hydrate that exhibits crystallographic structure sII, along its dissociation line, is studied from computer simulation., Comment: 15 pages, 9 figures. arXiv admin note: text overlap with arXiv:2408.03257

In this work, we have calculated self-diffusion and shear viscosity, two of the most important transport properties, of the spherical square-well (SW) fluid interacting with potential range $\lambda = 1.5 \, \sigma$. To this end, we have used a combination of molecular dynamics simulation and the continuous version of the square-well (CSW) intermolecular potential recently proposed by Zer\'on et al. [Mol. Phys. 116, 3355 (2018)]. In addition to that, we have also determined a number of equilibrium properties, including internal energy, compressibility factor, radial distribution function, and coordination number. All properties are evaluated in a wide range of temperatures and densities, including subcritical and supercritical thermodynamic conditions. Results obtained in this work show an excellent agreement with available data reported in the literature and demonstrate that the CSW intermolecular potential can be used in molecular dynamics simulations to emulate SW transport properties with confidence., Comment: 9 pages, 10 figures, 8 tables included in supplementary material

In this work, the tetrahydrofuran (THF) hydrate-water interfacial free energy is determined at $500\,\text{bar}$, at one point of the univariant two-phase coexistence line of the THF hydrate, by molecular dynamics simulation. The Mold Integration-Host methodology, an extension of the original Mold Integration technique to deal with hydrate-fluid interfaces, is used to calculate the interfacial energy. Water is described using the well-known TIP4P/Ice model and THF is described using a rigid version of the TraPPE model. We have recently used the combination of these two models to accurately describe the univariant two-phase dissociation line of the THF hydrate, in a wide range of pressures, from computer simulation [J. Chem. Phys. 160, 164718 (2024)]. The THF hydrate-water interfacial free energy predicted in this work is compared with the only experimental data available in the literature. The value obtained, $27(2)\,\text{mJ/m}^{2}$, is in excellent agreement with the experimental data taken from the literature, $24(8)\,\text{mJ/m}^{2}$. To the best of our knowledge, this is the first time that the THF hydrate-water interfacial free energy is predicted from computer simulation. This work confirms that the Mold Integration technique can be used with confidence to predict solid-fluid interfaces of complex structures, including hydrates that exhibit sI and sII crystallographic structures., Comment: 11 pages, 6 figures

In this work, we determine the dissociation line of the nitrogen (N$_{2}$) hydrate by computer simulation using the TIP4P/Ice model for water and the TraPPE force field for N$_{2}$. This work is the natural extension of our previous paper in which the dissociation temperature of the N$_2$ hydrate has been obtained at $500$, $1000$, and $1500\,\text{bar}$ [\emph{J. Chem. Phys.} \textbf{159}, 224707 (2023)] using the solubility method and assuming single occupancy. We extend our previous study and determine the dissociation temperature of the N$_2$ hydrate at different pressures, from $500$ to $4500\,\text{bar}$, taking into account single and double occupancy of the N$_{2}$ molecules in the hydrate structure. We calculate the solubility of N$_2$ in the aqueous solution, as a function of temperature, when it is in contact with a N$_{2}$-rich liquid phase and when in contact with the hydrate phase with single and double occupancy via planar interfaces. Both curves intersect at a certain temperature that determines the dissociation temperature at a given pressure. We observe a negligible effect of the occupancy on the dissociation temperature. Our findings are in very good agreement with the experimental data taken from the literature. We have also obtained the driving force for nucleation of the hydrate as a function of the temperature and occupancy at several pressures. As in the case of the dissociation line, the effect of the occupancy on the driving force for nucleation is negligible. To the best of our knowledge, this is the first time that the effect of the occupancy on the driving force for nucleation of a hydrate that exhibits sII crystallographic structure is studied from computer simulation., Comment: 15 pages, 13 figures

Clathrate hydrates are vital in energy research and environmental applications. Understanding their stability is crucial for harnessing their potential. In this work, we employ direct coexistence simulations to study finite-size effects in the determination of the three-phase equilibrium temperature ($T_3$) for methane hydrates. Two popular water models, TIP4P/Ice and TIP4P/2005, are employed, exploring various system sizes by varying the number of molecules in the hydrate, liquid, and gas phases. The results reveal that finite-size effects play a crucial role in determining $T_3$. The study includes nine configurations with varying system sizes, demonstrating that smaller systems, particularly those leading to stoichiometric conditions and bubble formation, may yield inaccurate $T_3$ values. The emergence of methane bubbles within the liquid phase, observed in smaller configurations, significantly influences the behavior of the system and can lead to erroneous temperature estimations. Our findings reveal finite size effects on the calculation of the $T_3$ by direct coexistence simulations and clarify the system size convergence for both models, shedding light on discrepancies found in the literature. The results contribute to a deeper understanding of the phase equilibrium of gas hydrates and offer valuable information for future research in this field., Comment: 20 pages, 9 figures

In this work, the effects of finite size on the determination of the three-phase coexistence temperature ($T_3$) of carbon dioxide (CO$_2$) hydrate have been studied by molecular dynamic simulations and using the direct coexistence technique. According to this technique, the three phases involved are placed together in the same simulation box. By varying the number of molecules of each phase it is possible to analyze the effect of simulation size and stoichiometry on the $T_3$ determination. In this work, we have determined the $T_3$ value at 8 different pressures and using 6 different simulation boxes with different numbers of molecules and sizes. In 2 of these configurations, the ratio of the number of water and CO$_2$ molecules in the aqueous solution and the liquid CO$_2$ phase is the same as in the hydrate (stoichiometric configuration). In both stoichiometric configurations, the formation of a liquid drop of CO$_2$ in the aqueous phase is observed. This drop, which has a cylindrical geometry, increases the amount of CO$_2$ available in the aqueous solution and can in some cases lead to the crystallization of the hydrate at temperatures above $T_3$, overestimating the $T_3$ value obtained from direct coexistence simulations. The simulation results obtained for the CO$_{2}$ hydrate confirm the sensitivity of $T_{3}$ depending on the size and composition of the system, explaining the discrepancies observed in the original work by M\'iguez \emph{et al.} Non-stoichiometric configurations with larger unit cells show convergence of $T_{3}$ values, suggesting that finite-size effects for these system sizes, regardless of drop formation, can be safely neglected. The results obtained in this work highlight that the choice of a correct initial configuration is essential to accurately estimate the three-phase coexistence temperature of hydrates by direct coexistence simulations., Comment: 15 pages, 5 figures

In this work, the effect of the range of the dispersive interactions in the determination of the three-phase coexistence line of the CO$_2$ and CH$_4$ hydrates has been studied. In particular, the temperature ($T_3$) at which solid hydrate, water, and liquid CO$_2$/gas CH$_4$ coexist has been determined through molecular dynamics simulations using different cut-off values (from 0.9 to 1.6 nm) for the dispersive interactions. The $T_3$ of both hydrates has been determined using the direct coexistence simulation technique. Following this method, the three phases in equilibrium are put together in the same simulation box, the pressure is fixed, and simulations are performed at different temperatures $T$. If the hydrate melts, then $T>T_3$. Contrary, if the hydrate grows, then $T

We explore the Faddeev-Jackiw symplectic Hamiltonian reduction of the $sl(2)$ affine Toda model coupled to matter (ATM), which includes new parametrizations for a scalar field and a Grassmannian fermionic field. The structure of constraints and symplectic potentials primarily dictates the strong-weak dual coupling sectors of the theory, ensuring the equivalence of the Noether and topological currents. It is computed analytical fermion excited bound states localized on the kink, accounting for back-reaction. The total energy depends on the topological charge parameters for kink-fermion system satisfying first order differential equations and chiral current conservation equation. Our results demonstrate that the excited fermion bound states significantly alter the properties of the kink, and notably resulting in a pumping mechanism for the topological charge of the in-gap kink due to fermionic back-reaction, as well as the appearance of kink states in the continuum (KIC)., Comment: 31 pages. Latex. 6 Figs

We explore the Steklov eigenvalue problem on convex polygons, focusing mainly on the inverse Steklov problem. Our primary finding reveals that, for almost all convex polygonal domains, there exist at most finitely many non-congruent domains with the same Steklov spectrum. Moreover, we obtain explicit upper bounds for the maximum number of mutually Steklov isospectral non-congruent polygonal domains. Along the way, we obtain isoperimetric bounds for the Steklov eigenvalues of a convex polygon in terms of the minimal interior angle of the polygon., Comment: 24 pages, 10 figures

We present the first analysis using RADES-BabyIAXO cavities as detectors of high-frequency gravitational waves (HFGWs). In particular, we discuss two configurations for distinct frequency ranges of HFGWs: Cavity 1, mostly sensitive at a frequency range of 252.8 - 333.2 MHz, and Cavity 2, at 2.504 - 3.402 GHz, which is a scaled down version of Cavity 1. We find that Cavity 1 will reach sensitivity to strains of the HFGWs of order $h_1\sim 10^{-21}$, while Cavity 2 will reach $h_2\sim 10^{-20}$. These represent the best estimations of the RADES-BabyIAXO cavities as HFGWs detectors, showing how this set-up can produce groundbreaking results in axion physics and HFGWs simultaneously.

The International Muon Collider Collaboration (IMCC) [1] was established in 2020 following the recommendations of the European Strategy for Particle Physics (ESPP) and the implementation of the European Strategy for Particle Physics-Accelerator R&D Roadmap by the Laboratory Directors Group [2], hereinafter referred to as the the European LDG roadmap. The Muon Collider Study (MuC) covers the accelerator complex, detectors and physics for a future muon collider. In 2023, European Commission support was obtained for a design study of a muon collider (MuCol) [3]. This project started on 1st March 2023, with work-packages aligned with the overall muon collider studies. In preparation of and during the 2021-22 U.S. Snowmass process, the muon collider project parameters, technical studies and physics performance studies were performed and presented in great detail. Recently, the P5 panel [4] in the U.S. recommended a muon collider R&D, proposed to join the IMCC and envisages that the U.S. should prepare to host a muon collider, calling this their "muon shot". In the past, the U.S. Muon Accelerator Programme (MAP) [5] has been instrumental in studies of concepts and technologies for a muon collider., Comment: This document summarises the International Muon Collider Collaboration (IMCC) progress and status of the Muon Collider R&D programme

The accumulation of gas atoms in tungsten is a topic of long-standing interest to the plasma-facing materials community due the metal's use as a divertor material in some tokamak fusion reactors. The nucleation and growth of He/H gas bubbles (along with their isotopes) can result from impinging fluxes of these gases which give rise to damage at the W divertor surface. The inclusion of He or H in W has been studied extensively by the community, finding that He bubbles modify the surface through periodic dislocation punching and bursting mechanisms while H bubbles impact the metal through plastic-strain induced material failure. However, the mechanisms which are present during the combined flux of both He and H is not well-studied atomistically. Motivated by this, an atomistic modeling study is conducted using molecular dynamics to assess the behavior of mixed concentration He:H bubbles in W. We find that the introduction of H into a growing He bubble results in a dramatic change in the nature and presence of dislocation loops which are typically generated via dislocation punching in over-pressurized He bubbles. Most notably, at high H concentrations, there is a switchover in energetic favorability from glissile 1/2$<$111$>$ dislocations to sessile $<$100$>$ dislocations. This thermodynamic crossover could imply a significant reduction in W surface morphology changes than with pure He bubbles and, additionally, we show this to have implications on the trapping of H in the bubbles and their associated dislocations.

Short-range ordering (SRO) in multi-principal element alloys influences material properties such as strength and corrosion. While some degree of SRO is expected at equilibrium, predicting the kinetics of its formation is challenging. We present a simplified isothermal concentration-wave (CW) model to estimate an effective relaxation time of SRO formation. Estimates from the CW model agree to within a factor of five with relaxation times obtained from kinetic Monte Carlo (kMC) simulations when above the highest ordering instability temperature. The advantage of the CW model is that it only requires mobility and thermodynamic parameters, which are readily obtained from alloy mobility databases and Metropolis Monte Carlo simulations, respectively. The simple parameterization of the CW model and its analytical nature make it an attractive tool for the design of processing conditions to promote or suppress SRO in multicomponent alloys., Comment: 12 pages, 4 figures, 2 tables

Gravitational wave (GW) astronomy has revolutionized our capacity to explore nature. The next generation of observatories, among which the space-borne detector Laser Interferometer Space Antenna LISA, is expected to yield orders of magnitude of signal-to-noise ratio improvement, and reach fainter and novel features of General Relativity. Among them, an exciting possibility is the detection of GW memory. Interpreted as a permanent deformation of the background spacetime after a GW perturbation has passed through the detector, GW memory offers a novel avenue to proof-test General Relativity, access the non-linear nature of gravity, and provide complementary information for a better characterization of the GW source. Previous studies have shown that GW memory detection from individual mergers of massive black hole binaries is expected with LISA. However, these works have not simulated the proper time domain response of the detector to the GW memory. This work is filling this gap and presents the detection prospects of LISA regarding GW memory and the expected signature of GW memory on the data-streams using the most up-to-date LISA consortium simulations of the response, as well as GW memory time-series computation inherited from numerical relativity. We will confront the LISA observation window to massive black hole binary mergers' population forecasted with the state-of-the-art population models and evaluate the odds and the expected accuracies regarding GW memory observations in the LISA lifetime. We conclude that GW memory will be a key feature of several events detected by LISA, and will help to exploit the scientific potential of the mission fully., Comment: 16 pages, 14 figures

With the recent announcement by NASA's Planetary Science and Astrobiology Decadal Survey 2023-2032, a priority flagship mission to the planet Uranus is anticipated. Here, we explore the prospects of using the mission's radio Doppler tracking equipment to detect gravitational waves (GWs) and other analogous signals related to dark matter (DM) over the duration of its interplanetary cruise. By employing a methodology to stack tracking data in combination with Monte-Carlo Markov-Chain parameter recovery tests, we show that the mission will be sensitive to GWs over the wide frequency range of $3\times 10^{-9}$ Hz to $10^{-1}$ Hz, provided that tracking data is taken consistently over a large fraction of the cruise duration. Thus, the mission has the potential to fill the gap between pulsar timing and space-based-interferometry GW observatories. Within this assumption, we forecast the detection of $\mathcal{\mathcal{O}}(1 - 100)$ individual massive black hole binaries using two independent population models. Additionally, we determine the mission's sensitivity to both astrophysical and primordial stochastic gravitational wave backgrounds, as well as its capacity to test, or even confirm via detection, ultralight DM models. In all these cases, the tracking of the spacecraft over its interplanetary cruise would enable coverage of unexplored regions of parameter space, where signals from new phenomena in our Universe may be lurking., Comment: Submitted to Pr.D. Comments welcome!

This work presents a candidate sensor for future spectroscopic applications, such as a Stage-5 Spectroscopic Survey Experiment or the Habitable Worlds Observatory. This new type of CCD sensor features multiple in-line amplifiers at its output stage allowing multiple measurements of the same charge packet, either in each amplifier and/or in the different amplifiers. Recently, the operation of an 8-amplifier sensor has been experimentally demonstrated, and the operation of a 16-amplifier sensor is presented in this work. This new sensor enables a noise level of approximately $1^e_{\rm rms}$ with a single sample per amplifier. Additionally, it is shown that sub-electron noise can be achieved using multiple samples per amplifier. In addition to demonstrating the performance of the 16-amplifier sensor, this work aims to create a framework for future analysis and performance optimization of this type of detectors. New models and techniques are presented to characterize specific parameters, which are absent in conventional CCDs and Skipper-CCDs: charge transfer between amplifiers and independent and common noise in the amplifiers, and their processing., Comment: 37 pages, 9 figures, 1 code listing

In this work, the univariant two-phase coexistence line of the hydrate of tetrahydrofuran (THF) is determined from 100 to 1000 bar by molecular dynamics simulations. The study is carried out by putting in contact a THF hydrate phase with a stoichiometric aqueous solution phase. Following the direct coexistence technique, the pressure has been fixed, and the coexistence line has been determined by analyzing if the hydrate phase grows or melts at different values of temperature. The model of water used is the well-known TIP4P/Ice model. We have used two different models of THF based on the transferable parameters for phase equilibria-united atom approach (TraPPE-UA), the original (flexible) TraPPe-UA model as well as a rigid and planar version of it. Overall, at high pressures, small differences have been observed in the results obtained by both models. Also, large differences have been observed in the computational efforts required by the simulations performed using both models, being the rigid and planar version much faster than the original one. The effect of the unlike dispersive interactions between the water and THF molecules has been also analyzed at 250 bar using the rigid and planar THF model. In particular, we have modified the Berthelot combining rule by adding a factor ({\xi}O-THF) that modifies the unlike water-THF dispersive interactions and we have analyzed the effect on the dissociation temperature when {\xi}O-THF is modified from 1.0 (original Berthelot combining rule) to 1.4 (modified Berthelot combining rule). We have extended the study using {\xi}O-THF = 1.4 and the rigid THF model to the rest of the pressures considered in this work, finding an excellent agreement with the scarce experimental data taken from the literature., Comment: 10 pages, 5 figures

The microstructural evolution at and near pre-existing grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for atomistic modeling of high-dose irradiation in bulk materials to probe the athermal limit of saturation of GB and dislocation core regions under irradiation in FCC Ni. We find that, upon continuously subjecting a single dislocation or GB to Frenkel pair creation in the athermal limit, a local steady state disordered defect structure is reached with excess properties that fluctuate around constant values. Case studies are given for a straight screw dislocation which elongates into a helix under irradiation and several types of low and high angle GBs, which exhibit coupled responses such as absorption of extrinsic dislocations, roughening and migration. A positive correlation is found between initial GB energy and the local steady state GB energy under irradiation across a wide variety of GB types. Metastable GB structures with similar density in the defect core region but different initial configurations are found to converge to the same limiting structure under CRA. The mechanical responses of pristine and irradiated dislocations and GB structures are compared under an applied shear stress. Irradiated screw and edge dislocations are found to exhibit a hardening response, migrating at larger flow stresses than their pristine counterparts. Mobile GBs are found to exhibit softening or hardening responses depending on GB character. Although some GBs recover their initial pristine structures upon migration outside of the radiation zone, many GBs sustain different flow stresses corresponding to altered mobile core structures.

Millisecond pulsars are extremely precise celestial clocks: as they rotate, the beamed radio waves emitted along the axis of their magnetic field can be detected with radio telescopes, which allows for tracking subtle changes in the pulsars' rotation periods. A possible effect on the period of a pulsar is given by a potential coupling to dark matter, in cases where it is modeled with an "ultralight" scalar field. In this paper, we consider a universal conformal coupling of the dark matter scalar to gravity, which in turn mediates an effective coupling between pulsars and dark matter. If the dark matter scalar field is changing in time, as expected in the Milky Way, this effective coupling produces a periodic modulation of the pulsar rotational frequency. By studying the time series of observed radio pulses collected by the European Pulsar Timing Array experiment, we present constraints on the coupling of dark matter, improving on existing bounds. These bounds can also be regarded as constraints on the parameters of scalar-tensor theories of the Fierz-Jordan-Brans-Dicke and Damour-Esposito-Far\`{e}se types in the presence of a (light) mass potential term., Comment: 17 pages, 5 figures, Updated plots, matching published version

We study a particular deformation of the potential KdV model (pKdV) and construct the quasi-conservation laws by a direct method. The charge densities, differing from their integrable counterpart with homogeneous degree terms, exhibit mixed scale dimension terms. The modifications of the charges around the soliton interaction regions are examined by numerically simulating some representative anomalies. We show numerically the elastic scattering of two kinks for a wide range of values of the deformation parameters. It is discussed an anomaly cancellation mechanism to define an exact conservation law of the usual pKdV model, and a renormalization procedure is introduced for some divergent charges by subtructing the continuous linear background contribution. The KdV-type equations are quite ubiquitous in several areas of non-linear science, such as the study of General Relativity in $AdS_{3}$, Bose-Einstein condensates, superconductivity and fluid dynamics., Comment: Latex, 18 pages, 2 Figs

The $Q$-polynomial property is an algebraic property of distance-regular graphs, that was introduced by Delsarte in his study of coding theory. Many distance-regular graphs admit the $Q$-polynomial property. Only recently the $Q$-polynomial property has been generalized to graphs that are not necessarily distance-regular. In [ J. Combin. Theory Ser. A, 205:105872, 2024 ], it was shown that graphs arising from the Hasse diagrams of the so-called attenuated space posets are $Q$-polynomial. These posets could be viewed as $q$-analogs of the Hamming posets, which were not studied in [ J. Combin. Theory Ser. A, 205:105872, 2024 ]. The main goal of this paper is to fill this gap by showing that the graphs arising from the Hasse diagrams of the Hamming posets are $Q$-polynomial., Comment: arXiv admin note: text overlap with arXiv:2308.16679, arXiv:2305.08937

Grain boundaries (GBs) in polycrystalline materials are powerful sinks for irradiation defects. While standard theories assume that the sink efficiency of a grain boundary is defined solely by its character before irradiation, recent evidence conclusively shows that the irradiation sink efficiency is a highly dynamic property controlled by the intrinsic metastability of GBs under far-from-equilibrium irradiation conditions. In this paper, we reveal that the denuded (i.e., defect-free) zone, typically the signature of a strong sink, can collapse as irradiation damage accumulates. We propose a radiation damage evolution model that captures this behavior based on the emergence of a series of irradiation defect-enabled metastable GB microstate changes that dynamically alter the ability of the GB to absorb further damage. We show that these microstate changes control further defect absorption and give rise to the formation of a defect network that manifests itself as a net Nye-tensor signal detectable via lattice curvature experiments.

The status of the LINrem project is presented, focusing on the development of innovative neutron dosimeters with enhanced energy sensitivity, time resolution, and portability. Designed to meet the technical demands of radiation protection in modern particle and nuclear facilities, these dosimeters are discussed in detail. Results from experimental campaigns showcasing their efficacy in pulsed fields generated by fusion plasmas and high-intensity pulsed lasers are presented. Additionally, prospects and future plans for the LINrem project are outlined., Comment: Preprint submitted to Radiation Physics and Chemistry

This study explores the intricate interactions between grain boundaries (GBs) and irradiation-induced defects in nanocrystalline iron, highlighting the role of dopants like copper. Utilizing molecular dynamics simulations, the research delineates how GB properties, such as GB energy and defect formation energies, influence the formation and evolution of defects in low energy collision cascades. It reveals that GBs not only augment defect production but also show a marked preference for interstitials over vacancies, a behavior significantly modulated by the cascade's proximity to the GB. The presence of dopants is shown to alter GB properties, affecting both the rate and type of defect production, thereby underscoring the complex interplay between GB characteristics, dopant elements, and defect dynamics. Moreover, the investigation uncovers that the structural characteristics of GBs play a crucial role in cascade evolution and defect generation, with certain GB configurations undergoing reconfiguration in response to cascades. For instance, the reconfiguration of one pure Fe twist GB suggests that GB geometry can significantly influence defect generation mechanisms. These findings point to the potential of GB engineering in developing materials with enhanced radiation tolerance, advocating for a nuanced approach to material design. By tailoring GB properties and selectively introducing dopant elements, materials can be optimized to exhibit superior resistance to radiation-induced damage, offering insights for applications in nuclear reactors and other radiation-prone environments.

We introduce and study the notions of (generalized) hyperbolicity, topological stability and (uniform) topological expansivity for operators on locally convex spaces. We prove that every generalized hyperbolic operator on a locally convex space has the finite shadowing property. Contrary to what happens in the Banach space setting, hyperbolic operators on Fr\'echet spaces may fail to have the shadowing property, but we find additional conditions that ensure the validity of the shadowing property. Assuming that the space is sequentially complete, we prove that generalized hyperbolicity implies the strict periodic shadowing property, but we also show that the hypothesis of sequential completeness is essential. We show that operators with the periodic shadowing property on topological vector spaces have other interesting dynamical behaviors, including the fact that the restriction of such an operator to its chain recurrent set is topologically mixing and Devaney chaotic. We prove that topologically stable operators on locally convex spaces have the finite shadowing property and the strict periodic shadowing property. As a consequence, topologically stable operators on Banach spaces have the shadowing property. Moreover, we prove that generalized hyperbolicity implies topological stability for operators on Banach spaces. We prove that uniformly topologically expansive operators on locally convex spaces are neither Li-Yorke chaotic nor topologically transitive. Finally, we characterize the notion of topological expansivity for weighted shifts on Fr\'echet sequence spaces. Several examples are provided.

We consider a modulated magnetic field, $B(t) = B_0 +\varepsilon f(\omega t)$, perpendicular to a fixed plane, where $B_0$ is constant, $\varepsilon>0$ and $f$ a periodic function on the torus ${\mathbb T}^n$. Our aim is to study classical and quantum dynamics for the corresponding Landau Hamiltonian. It turns out that the results depend strongly on the chosen gauge. For the Landau gauge the position observable is unbounded for "almost all" non resonant frequencies $\omega$. On the contrary, for the symmetric gauge we obtain that, for "almost all" non resonant frequencies $\omega$, the Landau Hamiltonian is reducible to a two dimensional harmonic oscillator and thus gives rise to bounded dynamics. The proofs use KAM algorithms for the classical dynamics. Quantum applications are given. In particular, the Floquet spectrum is absolutely continuous in the Landau gauge while it is discrete, of finite multiplicity, in symmetric gauge.

This short contributions summarizes a couple of recent results to test dark matter properties with galactic dynamics. First, I will present the impact in rotation curves from solitonic structures expected at the center of galaxies for ultralight bosonic dark matter. As a result, one can claim that masses of the order $m_{\rm DM}\lesssim 10^{-21}$eV are in tension with data. Second, I will discuss how the dark matter medium properties change the way a `probe' interacts with the halo. I will focus on dynamical friction and show how it is modified in the case of degenerate fermions. This result may be used to address the Fornax timing problem. I hope that this contribution represents an inspiration to continue exploring other ideas in this direction of using galactic dynamics to tell apart different dark matter models., Comment: 8 pages, 1 figure. Proceedings of 1st General Meeting and 1st Training School of the COST Action COSMIC WSIPers (COSMICWISPers) 5-14 September, 2023

The direct detection of gravitational waves (GWs) of frequencies above MHz has recently received considerable attention. In this work we present a precise study of the reach of a cubic cavity resonator to GWs in the microwave range, using for the first time tools allowing to perform realistic simulations. Concretely, the BI-RME 3D method, which allows us to obtain not only the detected power but also the detected voltage (magnitude and phase), is used here. After analyzing three cubic cavities for different frequencies and working simultaneously with three different degenerate modes at each cavity, we conclude that the sensitivity of the experiment is strongly dependent on the polarization and incidence angle of the GW. The presented experiment can reach sensitivities up to $ 1 \cdot 10^{-19}$ at 100\, MHz, $ 2 \cdot 10^{-20}$ at 1\, GHz, and $ 6 \cdot 10^{-19}$ at 10\, GHz for optimal angles and polarizations, and where in all cases we assumed an integration time of $\Delta t = 1$ ms. These results provide a strong case for further developing the use of cavities to detect GWs. Moreover, the possibility of analyzing the detected voltage (magnitude and phase) opens a new interferometric detection scheme based on the combination of the detected signals from multiple cavities., Comment: 26 pages, 12 figures; v2 matches published version; v3 typo fixed

In this brief contribution I will highlight some directions where the developments in the frontier of (quantum) metrology may be key for fundamental high energy physics (HEP). I will focus on the detection of dark matter and gravitational waves, and introduce ideas from atomic clocks and magnetometers, large atomic interferometers and detection of small fields in electromagnetic cavities. Far from being comprehensive, this contribution is an invitation to everyone in the HEP and quantum technologies communities to explore this fascinating topic., Comment: Contribution to the proceedings of The European Physical Society Conference on High Energy Physics (EPS-HEP2023), 21-25 August 2023, Hamburg, Germany. Comments welcome!