Related papers: A study of the size dependence of self diffusivity…
We report results of molecular dynamics simulations to understand the role of solute and solute-solvent interaction on solute diffusivity in a solid solution within a body centered cubic solid when the solute size is significantly smaller…
In this work, we perform a comparative study of the size dependence of diffusion of charged and neutral solutes in water. The neutral solute in water shows a nonmonotonicity in the size dependence of diffusion. This is usually connected to…
We present a molecular dynamics simulation study of the liquid-solid transition in a two dimensional system consisting of particles of two different sizes interacting via a truncated Lennard-Jones potential. We work with equal number of…
Diffusion invariably involves motion within a medium. An universal behavior observed is that self diffusivity exhibits a maximum as a function of the size of the diffusant when the diffusant is confined to a medium, as a result of what is…
We use interface-resolved simulations to study finite-size effects in turbulent channel flow of neutrally-buoyant spheres. Two cases with particle sizes differing by a factor of 2, at the same solid volume fraction of 20% and bulk Reynolds…
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…
We present a comprehensive theoretical study of finite size effects in the relaxation dynamics of glass-forming liquids. Our analysis is motivated by recent theoretical progress regarding the understanding of relevant correlation length…
The effects of the finite size of the simulation box in equilibrium molecular dynamics simulations are investigated for prototypical superionic conductors of different types, namely the fluorite-structure materials PbF2, CaF2, and UO2…
We perform extensive simulations of $10^4$ Lennard-Jones particles to study the effect of particle size dispersity on the thermodynamic stability of two-dimensional solids. We find a novel phase diagram in the dispersity-density parameter…
We study the effect of varying the mass and volume fraction of a suspension of rigid spheres dispersed in a turbulent channel flow. We performed several Direct Numerical Simulations using an Immersed Boundary Method for finite-size…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. They include the temperature-pressure(density) dependence of…
We characterize the local concentration dependence of segregation velocity and segregation flux in both size and density bidisperse gravity-driven free-surface granular flows as a function of the particle size ratio and density ratio,…
The static and the dynamic properties of a size-polydisperse model ionic liquid is studied using molecular dynamics simulations. Here, size of the anions is derived from a Gaussian distribution while keeping cation size fixed, resulting in…
Although the anisotropy of the solid-liquid interfacial free energy for most alloy systems is very small, it plays a crucial role in the growth rate, morphology and crystallographic growth direction of dendrites. Previous work posited a…
We report a joint simulation and theoretical study of the liquid-vapor phase behaviour of a fluid in which polydispersity in the particle size couples to the strength of the interparticle interactions. Attention is focussed on the case in…
The influence of size differences, shape, mass and persistent motion on phase separation in binary mixtures has been intensively studied. Here we focus on the exclusive role of diffusivity differences in binary mixtures of equal-sized…
We present a finite-size scaling analysis of the droplet condensation-evaporation transition of a lattice gas (in two and three dimensions) and a Lennard-Jones gas (in three dimensions) at fixed density. Parallel multicanonical simulations…
We study the evolution of dynamic fluctuations averaged over different space lengths and time scales to characterize spatially and temporally heterogeneous behavior of TIP4P/2005 water in liquid and supercooled states. Analysing a million…
In this work, molecular dynamics simulations are performed to estimate the equilibrium pressure of liquid confined in nanopores. The simulations show that the pressure is highly sensitive to the pore size and can significantly change from…