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Ionization electron diffusion in Liquid Argon Time Projection Chambers (LArTPCs) has typically been considered at the detector design stage, but little attention has been given to its effects on calibration and particle identification. We…
We construct a coarse-grained molecular dynamics model based on poly(ethylene oxide) and lithium bis-(trifluoromethane)sulfonimide salt to examine the combined effects of temperature and salt concentration on the transport properties. Salt…
The temperature-induced structural and electronic transformation in VO$_2$ between the monoclinic M1 and tetragonal rutile phases was studied by means of \textit{ab initio} molecular dynamics, based on density functional theory with Hubbard…
The quantum Brownian motion of a single neutral particle with nonzero electric dipole moment placed in a photon gas at fixed temperature and close to a conducting wall is here examined. The interaction of the particle with the photon field…
Ion mobility and ionic conductance in nanodevices are known to deviate from bulk behavior, a phenomenon often attributed to surface effects. We demonstrate that dielectric mismatch between the electrolyte and the surface can qualitatively…
We study the connection between heat transport properties of systems coupled to different thermal baths in two separate regions and their underlying nonequilibrium dynamics. We consider classical systems of interacting particles that may…
A three-dimensional model of a partially melted powder bed with particles stochastically distributed in size and space coordinates has been developed. Numerical simulation of temperature distributions in stainless steel AISI 316L and…
The multiferroics are the materials, where single cell of a magnetically order crystal forms an electric dipole moment. We derive equation for the evolution of the macroscopic density of the electric dipole moment (polarization of the…
Thermal ionization is a critical process at temperatures T > 10 3 K, particularly during star formation. An increase in ionization leads to a decrease in nonideal magnetohydrodynamics (MHD) resistivities, which has a significant impact on…
Interface localization-delocalization transitions (ILDT) occur in two-phase fluids confined in a slit with competing preferences of the walls for the two fluid phases. At low temperatures the interface between the two phases is localized at…
The work considers a fully turbulent flow with heat transfer in a channel half-filled with an array of cubes based on the work of Breugem and Boersma (2005) and Chandesris et al. (2013), at $\mathrm{Re}_\mathrm{bulk} = 5485$ and three…
Layered systems shows anisotropic transport properties. The interlayer conductivity show a general temperature dependence for a wide class of materials. This can be understood if conduction occurs in two different channels activated at…
Understanding interfacial heat transfer between polymers and water is crucial for the design of biomaterials, drug delivery platforms, and nanofluidic systems. In this study, we employed all atom molecular dynamics (MD) simulations to…
3D particle-in-cell simulations demonstrate that the enhanced transparency of a relativistically hot plasma is sensitive to how the energy is partitioned between different degrees of freedom. For an anisotropic electron distribution,…
Linear dielectric thermodynamics are formally developed to explore the isothermal and adiabatic temperature - pressure dependence of dielectric constants. The refractive index of optical materials is widely measured in the literature: it is…
Phase change materials can be reversibly switched between amorphous and crystalline states and often show strong contrast in the optical and electrical properties of these two phases. They are now in widespread use for optical data storage,…
Most ionic liquids contain at least one rather complex ion species exhibiting a dipolar moment. In the present work, we provide a thorough evaluation of broadband dielectric spectra of 12 ionic liquids taking into account the often…
A thermal diode transports heat mainly in one preferential direction rather than in the opposite direction. This behavior is generally due to the non-linear dependence of certain physical properties with respect to the temperature. Here we…
We report a Monte Carlo simulation of deposition of magnetic particles on a one-dimensional substrate. Incoming particles interact with those that are already part of the deposit via a dipole-dipole potential. The strength of the dipolar…
We propose an efficient scheme, which combines density functional theory (DFT) with deep potentials (DP), to systematically study the convergence issues of the computed electronic thermal conductivity of warm dense Al (2.7 g/cm$^3$,…