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In physics, density $\rho(\cdot)$ is a fundamentally important scalar function to model, since it describes a scalar field or a probability density function that governs a physical process. Modeling $\rho(\cdot)$ typically scales poorly…
We study the diffusion equation on the surface of a 4D sphere and obtain a Kubo formula for the diffusion coefficient.
A procedure is presented to estimate the diffusion coefficient of a uniform patch of argon gas in a uniform background of helium gas. Molecular Dynamics (MD) simulations of the two gases interacting through the Lennard-Jones potential are…
The differential cross sections for low-energy muonic hydrogen atom scattering in liquid hydrogenic targets have been calculated in the incoherent approximation using the Van Hove response function. A simple model of liquids and the…
A method is proposed for the calculation of diffusion constants for one-dimensional maps exhibiting deterministic diffusion. The procedure is based on harmonic inversion and uses a known relation between the diffusion constant and the…
We consider the homogenization for time-fractional diffusion equations in a periodic structure and we derive the homogenized time-fractional diffusion equation. Then we discuss the determination of the constant diffusion coefficient by…
We present a systematic study of the self-diffusion coefficient for a fluid of particles interacting via the square-well pair potential by means of molecular dynamics simulations in the canonical (N,V,T) ensemble. The discrete nature of the…
Motivated by recent applications of superdiffusive transport models to shock-accelerated particle distributions in the heliosphere, we solve analytically a one-dimensional fractional diffusion-advection equation for the particle density. We…
The mean square displacement and instantaneous diffusion coefficient for different configurations of charged particles in stochastic motion are calculated by numerically solving the associated equations of motion. The method is suitable for…
Energetic particles that undergo strong pitch-angle scattering and diffuse through a plasma containing strong compressible MHD turbulence undergo diffusion in momentum space with diffusion coefficient Dp. In this paper, the contribution of…
We develop numerical methods for reaction-diffusion systems based on the equations of fluctuating hydrodynamics (FHD). While the FHD formulation is formally described by stochastic partial differential equations (SPDEs), it becomes similar…
First-principles density-functional theory has been used to investigate equilibrium geometries, total energies, and diffusion barriers for H as an interstitial impurity absorbed in $\alpha$-Fe. Internal strains/stresses upon hydrogen…
The van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] is a promising approach for including dispersion in approximate density functional theory exchange-correlation functionals. Indeed, an…
We report on calculations of the translational and rotational short-time self-diffusion coefficients $D^t_s$ and $D^r_s$ for suspensions of charge-stabilized colloidal spheres. These diffusion coefficients are affected by electrostatic…
An outline of theoretical estimates is given regarding the dependence of the value of the diffusion coefficient $D$ on the size $R$ of the remainder of the normal form in doubly or simply resonant domains of the action space of 3dof…
The rate of diffusion of a Cu adatom on the Cu(100) surface is calculated using thermodynamic integration within the transition state theory. The results are found to be in excellent agreement with the essentially exact values from…
We study a simple model of a random walker in d dimensions moving in the presence of a local heterogeneous attracting factor expressed in terms of an assigned space-dependent "attractiveness function", a situation frequently encountered in…
The effect of the applied trajectory length on the convergence of the static dielectric constant and the self-diffusion coefficient were examined for the SPC/E water model in the NVT ensemble with different system size at 293 K. Very long…
A modification of the Drude dispersive model based on fractional time derivative is presented. The dielectric susceptibility is calculated analytically and simulated numerically, showing a good agreement between theoretical description and…
Resonant formation of the muonic molecule dt-mu in t-mu atom collision with condensed H/D/T targets is considered. A specific resonance correlation function, which is a generalization of the Van Hove single-particle correlation function, is…