相关论文: A practical coarse-grained formula for classical m…

Displacements of atoms and molecules away from lattice sites in helium and parahydrogen solids at low temperature have been studied by means of Quantum Monte Carlo simulations. In the bcc phases of He-3 and He-4, atomic displacements are…

This paper models the classical diffusion of a main particle through a heatbath by means of a pre-limit microscopic representation of its drifted momentum and energy transfers at collision times. The collision point linear interpolated path…

The influence of inelastic hydrogen atom collisions on non-LTE spectral line formation has been, and remains to be, a significant source of uncertainty for stellar abundance analyses, due to the difficulty in obtaining accurate data for…

Hydrogen and helium demix when sufficiently cool, and this bears on the evolution of all giant planets at large separations at or below roughly a Jupiter mass. We model the thermal evolution of Jupiter, including its evolving helium…

Fluctuating hydrodynamics based techniques have been developed in recent years for the simulation of Brownian motion of particles. These mesoscale simulation tools are viable approaches for problems where molecular dynamics simulations may…

We study heat transport in two systems without momentum conservation: a hydrodynamic system, and a holographic system with spatially dependent, massless scalar fields. When momentum dissipates slowly, there is a well-defined, coherent…

Dislocation motion in body centered cubic (bcc) metals displays a number of specific features that result in a strong temperature dependence of the flow stress, and in shear deformation asymmetries relative to the loading direction as well…

We study time-dependent density segregation of granular mixtures flowing over an inclined plane. Discrete Element Method (DEM) simulations in a periodic box are performed for granular mixtures of same size and different density particles…

Multi-phase flows encountered in nature or in industry, exhibit non trivial rheological properties, that can be understood better thanks to model materials and appropriate rheometers. Here, we use model unsaturated granular materials:…

We present an approach to extend plasma transport theory into the Warm Dense Matter (WDM) regime characterized by moderate Coulomb coupling and electron degeneracy. It is based on a recently proposed closure of the BBGKY hierarchy that…

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…

A model of a bulk water system describing the vibrational motion of intramolecular and intermolecular modes is constructed, enabling analysis of its linear and nonlinear vibrational spectra, as well as the energy transfer processes between…

The global existence of bounded weak solutions to a diffusion system modeling biofilm growth is proven. The equations consist of a reaction-diffusion equation for the substrate concentration and a fourth-order Cahn-Hilliard-type equation…

We investigate the Johari-Goldstein (JG) $\beta$-relaxation process in a model metallic glass-forming (GF) material (Al90Sm10), previously studied extensively by both frequency-dependent mechanical measurements and simulation studies…

We present a new approach to carry out non-adiabatic molecular dynamics to study the carrier mobility in an organic monolayer. This approach allows the calculation of a 4802 atom system for 825 fs in about three hours using 51,744 computer…

We propose a unified diffusion-mobility relation which quantifies both quantum and classical levels of understanding on electron dynamics in ordered and disordered materials. This attempt overcomes the inability of classical Einstein…

We study the motion of a solid particle immersed in a Newtonian fluid and confined between two parallel elastic membranes possessing shear and bending rigidity. The hydrodynamic mobility depends on the frequency of the particle motion due…

In the quasi-stationary states of the Hamiltonian Mean-Field model, we numerically compute correlation functions of momenta and diffusion of angles with homogeneous initial conditions. This is an example, in a N-body Hamiltonian system, of…

Individual constituent balance equations are often used to derive expressions for species-specific segregation velocities in flows of dense granular mixtures. We propose a semiempirical expression for the interspecies momentum exchange in…

The dynamical description of correlated nuclear motion is based on a set of coupled equations of motion for the one-body density matrix $\rho (11';t)$ and the two-body correlation function $c_2(12,1'2';t)$, which is obtained from the…