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Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…
The response to shear of the dense soft solids features a stress overshoot and a persistent shear banding before reaching a homogeneously flowing state. In 3D large scale simulations we analyze the time required for the onset of homogeneous…
Much work has been devoted to analysing thermodynamic models for solid dispersions with a view to identifying regions in the phase diagram where amorphous phase separation or drug recrystallization can occur. However, detailed partial…
The motions of small-scale magnetic flux elements in the solar photosphere can provide some measure of the Lagrangian properties of the convective flow. Measurements of these motions have been critical in estimating the turbulent diffusion…
Discrete simulation methods are efficient tools to investigate the complex behaviors of complex fluids made of either dry granular materials or dilute suspensions. By contrast, materials made of soft and/or concentrated units (emulsions,…
In this paper, we present a theory to efficiently deal with mechanical properties of heterogeneous polymer chain in free space and the central problem is to evaluate the diffusion equation and orientation-orientation correlation function,…
Magnetized turbulence is ubiquitous in many astrophysical and terrestrial plasmas but no universal theory exists. Even the detailed energy dynamics in magnetohydrodynamic (MHD) turbulence are still not well understood. We present a suite of…
Water diffusion MRI is a very powerful tool for probing tissue microstructure, but disentangling the contribution of compartment-specific structural disorder from cellular restriction and inter-compartment exchange remains an open…
Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…
It is well-known under the name of `periodic homogenization' that, under a centering condition of the drift, a periodic diffusion process on R^d converges, under diffusive rescaling, to a d-dimensional Brownian motion. Existing proofs of…
Depinning dynamics of a two-dimensional (2D) solid dusty plasma modulated by a one-dimensional (1D) vibrational periodic substrate are investigated using Langevin dynamical simulations. As the uniform driving force increases gradually, from…
The thermodynamic and kinetic properties of hydrogen adatoms on graphene are important to the materials and devices based on hydrogenated graphene. Hydrogen dimers on graphene with coverages varying from 0.040 to 0.111 ML (1.0 ML $=…
When a fluid carrying a passive solute flows quickly through porous media, three key macroscale transport mechanisms occur. These mechanisms are diffusion, advection and dispersion, all of which depend on the microstructure of the porous…
We study the rheology of a suspension of soft deformable droplets subjected to a pressure-driven flow. Through computer simulations, we measure the apparent viscosity as a function of droplet concentration and pressure gradient, and provide…
Aerodynamic entrainment acts as the pioneer of saltation movement and is critical for understanding the development of aeolian phenomena. Here we performed direct numerical simulations on the aerodynamic lifting of surface particles on a…
We compare velocity structure in the Polaris Flare molecular cloud at scales ranging from 0.015 pc to 20 pc to simulations of supersonic hydrodynamic and MHD turbulence computed with the ZEUS MHD code. We use several different statistical…
The rate of magnetic field diffusion plays an essential role in several astrophysical plasma processes. It has been demonstrated that the omnipresent turbulence in astrophysical media induces fast magnetic reconnection, which consequently…
We study the transport properties of passive inertial particles in a $2-d$ incompressible flows. Here the particle dynamics is represented by the $4-d$ dissipative embedding map of $2-d$ area-preserving standard map which models the…
A practical correction formula relating the self-diffusion coefficient of dense liquids from molecular dynamics simulations with periodic boundary conditions to the self-diffusion coefficient in the thermodynamic limit is discussed. This…
Conventional molecular dynamics simulations macromolecules require long computational times because the most interesting motions are very slow compared with the fast oscillations of bond lengths and bond angles that limit the integration…