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Phase transformations in metallic grain boundaries (GBs) present significant fundamental interest in the context of thermodynamics of low-dimensional physical systems. We report on atomistic computer simulations of the Cu-Ag system that…
We investigate the thermodynamics of the one-dimensional t-J model using transfer matrix renormalization group (TMRG) algorithms and present results for quantities like particle number, specific heat, spin susceptibility and…
Ultra-lean premixed hydrogen combustion is a possible solution to decarbonize industry, while limiting flame temperatures and thus nitrous oxide emissions. These lean hydrogen/air flames experience strong preferential diffusion effects,…
By analyzing the displacement statistics of an assembly of horizontally vibrated bidisperse frictional grains in the vicinity of the jamming transition experimentally studied before, we establish that their superdiffusive motion is a…
Using the framework that interpolates between the leading power limit of the Color Glass Condensate and the High Energy (or $k_{T}$) factorization we calculate the direct component of the forward dijet production in ultra-peripheral…
We report an experimental study on the tuning of supercurrent in a ballistic graphene-based Josephson junction by applying a control voltage to a transverse normal channel. In this four-terminal geometry, the control voltage changes the…
We probe the diffusive motion of particles in slowly sheared three dimensional granular suspensions. For sufficiently large strains, the particle dynamics exhibits diffusive Gaussian statistics, with the diffusivity proportional to the…
Scaling superconducting quantum processors to large qubit counts faces challenges in control signal delivery, thermal management, and hardware complexity, particularly in achieving microwave signal multiplexing and long-distance quantum…
The classical 'ballistic' overshoot models show some contradictions and are not consistence with numerical simulations and asteroseismic studies. Asteroseismic studies imply that overshoot is a weak mixing process. Diffusion model is…
The diffusion of an artificial active particle in a two-dimensional periodic pattern of stationary convection cells is investigated by means of extensive numerical simulations. In the limit of large P\'eclet numbers, i.e., for…
A fundamental issue in star formation is understanding the precise mechanisms leading to the formation of prestellar cores, and their subsequent gravitationally unstable evolution. To address this question, we carefully construct a suite of…
We report on the study of the phase dynamics of high critical temperature superconductor Josephson junctions. We realized YBa$_2$Cu$_3$O$_{7-x}$ (YBCO) grain boundary (GB) biepitaxial junctions in the submicron scale, using low loss…
We introduce a new graph diffusion model for small molecule generation, DMol, which outperforms the state-of-the-art DiGress model in terms of validity by roughly 1.5% across all benchmarking datasets while reducing the number of diffusion…
Silver released from TRISO fuel particles can migrate through the SiC layer and deposit on reactor components, posing radiation hazards and operational challenges. Despite numerous proposed mechanisms, the precise pathway of silver…
We discuss the dependence of self- and interdiffusion coefficients on temperature and composition for two prototypical binary metallic melts, Al-Ni and Zr-Ni, in molecular-dynamics (MD) computer simulations and the mode-coupling theory of…
A mesoscopic coarse-grain model for computationally-efficient simulations of biomembranes is presented. It combines molecular dynamics simulations for the lipids, modeled as elastic chains of beads, with multiparticle collision dynamics for…
We investigate the dynamics of interstellar dust particles in moderately high resolution ($512^3$ grid points) simulations of forced compressible transonic turbulence including self-gravity of the gas. Turbulence is induced by stochastic…
Designing new molecules is essential for drug discovery and material science. Recently, deep generative models that aim to model molecule distribution have made promising progress in narrowing down the chemical research space and generating…
The methods of non-equilibrium thermodynamics of systems with an interface have been applied to the study of transport processes in semiconductor junctions. A complete phenomenological model for drift-diffusion processes in a junction has…
We calculate the production of a photon and two jets at forward rapidity in proton-nucleus collisions, within the hybrid dilute-dense framework in the Color Glass Condensate (CGC) formalism. After obtaining the cross section for both the…