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Thermodiffusion in aqueous electrolyte solutions exhibits complex dependencies on temperature, concentration, and salt composition, yet its microscopic origins remain incompletely understood. Here, we employ non-equilibrium molecular…
In a preceding paper, Mukhopadhyay and I studied the diffusive motion of a tagged molecule in a heterogeneous glass-forming liquid at temperatures just above a glass transition. Among other features of this system, we postulated a relation…
Phase change materials are exploited in non-volatile electronic memories and photonic devices that rely on a fast and reversible transformation between the amorphous and crystalline phase upon heating. The recrystallization of the amorphous…
Context. The diffusion of volatile species on amorphous solid water ice affects the chemistry on dust grains in the interstellar medium as well as the trapping of gases enriching planetary atmospheres or present in cometary material. Aims.…
Angular distributions of fluorine and oxygen produced from 170 MeV 17^F incident on 208^Pb were measured. The elastic scattering data are in good agreement with optical model calculations using a double-folding potential and parameters…
The temperature evolution of the broadband $10^{-6}$-$10^{10}$ Hz dielectric susceptibility of the paradigmatic glass formers glycerol, propylene carbonate, and fluoro-aniline is analyzed assuming a three-step relaxation due to the…
We report measurements of the neutron diffuse scattering in a single crystal of the relaxor ferroelectric material 95.5%Pb(Zn$_{1/3}$Nb$_{2/3}$)O$_3$-4.5%PbTiO$_3$ (PZN-4.5%PT). Our results suggest that the nanometer scale structure in this…
It is shown using the method of molecular dynamics that the motion of carbon nanoparticles (rectangular graphene flakes, spherical fullerenes of size $L<10$ nm) on the surface of a thermalized graphene sheet lying on a flat substrate can be…
We have performed high-resolution powder x-ray diffraction measurements on a sample of $^{242}$PuCoGa$_{5}$, the heavy-fermion superconductor with the highest critical temperature $T_{c}$ = 18.7 K. The results show that the tetragonal…
Molecular Dynamics simulations of Valine in water and their binary mixtures ($N_{Val}$ =0.003 \& $N_{water}$=0.997, $N$ representing the mole fraction) have been accomplished at temperatures 293.20 K, 303.20 K, 313.20 K, 323.20 K, and…
The condition of thermal equilibrium simplifies the theoretical treatment of fluctuations as found in the celebrated Einstein's relation between mobility and diffusivity for Brownian motion. Several recent theories relax the hypothesis of…
We performed molecular dynamics simulations to investigate the viscoelastic properties of aqueous protein solutions containing an antifreeze protein, a toxin protein, and bovine serum albumin. These simulations covered a temperature range…
We investigate the temperature dependence of the shear viscosity and spin diffusion in a two-dimensional Fermi gas with contact interactions, as realized in ultra-cold atomic gases. We describe the transport coefficients in terms of a…
In this work, an improved methodology for studying interactions of proteins in solution by small-angle scattering, is presented. Unlike the most common approach, where the protein-protein correlation functions $g_{ij}(r)$ are approximated…
We studied the diffusion coefficient of hot electrons of GaN crystals in moderate electric (1...10 kV/cm) and magnetic (1...4 T) fields. Two configurations, parallel and crossed fields, are analysed. The study was carried out for…
We report on a comprehensive theoretical and experimental investigation of thermal conductivity in indium-tin-oxide (ITO) thin films with various Ga concentrations (0-30 at. %) deposited by spray pyrolysis technique. X-Ray diffraction (XRD)…
The self-diffusion constant D is expressed in terms of transitions among the local minima of the potential (inherent structure, IS) and their correlations. The formulae are evaluated and tested against simulation in the supercooled,…
We investigate thermodynamic properties of a one-dimensional S=1/2 antiferromagnetic Heisenberg model coupled to a lattice distortion by a quantum Monte Carlo method. In particular we study how spin and lattice dimerize as a function of the…
The nonequilibrium dynamics of a binary Lennard-Jones mixture in a simple shear flow is investigated by means of molecular dynamics simulations. The range of temperature investigated covers both the liquid, supercooled and glassy states,…
A model of a strongly correlated electron liquid based on the fermion condensation (FC) is extended to high-temperature superconductors. Within our model, the appearance of FC presents a boundary separating the region of a strongly…