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Impurity diffusion coefficients are entirely obtained from a low cost classical molecular statics technique (CMST). In particular, we show how the CMST is appropriate in order to describe the impurity diffusion behavior mediated by a…
Demixing of binary fluids subjected to slow temperature ramps shows repeated waves of nucleation which arise as a consequence of the competition between generation of supersaturation by the temperature ramp and relaxation of supersaturation…
Accurate simulations of high-pressure transcritical fuel sprays are essential for the design and optimization of next-generation gas turbines, internal combustion engines, and liquid propellant rocket engines. Most important and challenging…
Simultaneous measurement of self-diffusion of iron and nitrogen in amorphous iron nitride (Fe86N14) using secondary ion mass spectroscopy (SIMS) technique has been done. In addition neutron reflectivity (NR) technique was employed to study…
The large scale turbulent statistics of mechanically driven superfluid $^4$He was shown experimentally to follow the classical counterpart. In this paper we use direct numerical simulations to study the whole range of scales in a range of…
We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…
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…
We study the interface dynamics of a binary particle mixture in a rotating cylinder numerically. By considering only the particle motion in axial direction, it is shown that the initial dynamics can be well described by a one-dimensional…
We perform Brownian dynamics simulations for studying the self-diffusion in two-dimensional (2D) dusty plasma liquids, in terms of both mean-square displacement and velocity autocorrelation function (VAF). Super-diffusion of charged dust…
In this work, we have carried out molecular dynamics (MD) simulation techniques to study the diffusion coefficient of interlayer molecules at different temperature. Within the wider context of water dynamics in soils, and with a particular…
Using the methods of computer modeling this scientific paper studies the special features of diffusion of the particles subjected to the external periodic force in the crystal lattice. The particle motion is described by a Langevin…
The dynamics of droplets on substrates has a strong impact on microfluidic systems ranging from commercially available lab-on-chip systems to state of the art developments in open microfluidics. Coalescence of micro and nano droplets on a…
Understanding and predicting the dominant diffusion processes in Cr2O3 is essential to its optimization for anti-corrosion coatings, spintronics, and other applications. Despite significant theoretical effort in modeling defect mediated…
We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that…
It is proposed to consider the fast thermalization of gluons in relativistic heavy-ion collisions as a diffusion process in momentum space. Closed-form analytical solutions of a nonlinear boson diffusion equation (NBDE) with constant drift…
The dynamic properties of fluid, including density, surface tension, diffusivity and viscosity, are temperature-dependent and can significantly influence the flow dynamics of mesoscopic non-isothermal systems. To capture the correct…
Starting from a Zimm model we study selfdiffusion in a solution of crosslinked monomers. We focus on the effects of the hydrodynamic interaction on the dynamics and the critical behaviour at the sol-gel-point. Hydrodynamic interactions…
Analyzed in this paper are three-dimensional Direct Numerical Simulation (DNS) data obtained from seven statistically planar and one-dimensional, lean complex-chemistry hydrogen-air flames propagating in a box with forced turbulence. The…
Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…
The mechanism underlying the long-range interstitial migration of nonequilibrium impurity interstitial species is used to simulate arsenic redistribution in ion implantation. An excellent agreement of the calculated arsenic concentration…