相关论文: Direct MD simulation of liquid-solid phase equilib…
Collisional relaxation of Coulomb systems is studied in the strongly coupled regime. We use an optical pump-probe approach to manipulate and monitor the dynamics of ions in an ultracold neutral plasma, which allows direct measurement of…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
We report stable laser-driven proton beam acceleration from ultrathin foils consisting of two ion species: heavier carbon ions and lighter protons. Multi-dimensional particle-in-cell (PIC) simulations show that the radiation pressure leads…
We investigate how models of fluid properties and boundary conditions influence predictions of convective mixing in confined porous media, with relevance to subsurface carbon dioxide storage. Using high-resolution simulations at high…
We perform large-scale numerical simulations of convection in 3D porous media at Rayleigh-Darcy numbers up to $Ra=8\times10^4$. To investigate the convective mixing of carbon dioxide (CO$_2$) in geological formations, we consider a…
The simplest model for non-congruent phase transition of gas-liquid type was developed in frames of modified model with no associations of a binary ionic mixture (BIM) on a homogeneous compressible ideal background (or non-ideal) electron…
We extend the phase field crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of…
Previous works for a liquid suddenly contacting a gas at a supercritical pressure show the coexistence of both phases and the generation of diffusion layers on both sides of the liquid-gas interface due to thermodynamic phase equilibrium. A…
We study Coulomb drag between an active layer with a clean electron liquid and a passive layer with a pinned electron lattice in the regime of fast intralayer equilibration. Such a two-fluid system offers an experimentally realizable way to…
Using path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD) simulation methods, we compute a coherent equation of state (EOS) of nitrogen that spans the liquid, warm dense matter (WDM), and plasma regimes.…
The analytic equation of state of nonideal Coulomb plasmas consisting of pointlike ions immersed in a polarizable electron background (physics/9807042) is improved, and its applicability range is considerably extended. First, the fit of the…
We study a d-dimensional lattice model of diffusing coalescing massive particles, with two parameters controlling deposition and evaporation of monomers. The unique stationary distribution for the system exhibits a phase transition in all…
Nuclear liquid-gas phase transitions are investigated in the framework of static antisymmetrized molecular dynamics (static AMD) model under either a constant volume or a constant pressure. A deuteron quadrupole momentum fluctuation…
We investigate the phase ordering (pattern formation) of systems of two-dimensional core-shell particles using Monte-Carlo (MC) computer simulations and classical density functional theory (DFT). The particles interact via a pair potential…
The kinetic stability of collisionless, sloshing beam-ion (45{\deg} pitch angle) plasma is studied in a 3D simple magnetic mirror, mimicking the Wisconsin High-temperature superconductor Axisymmetric Mirror (WHAM) experiment. The…
In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, accurately predicting the effects of polydispersity on phase…
The properties of model solutions consisting of a solute --- single curcumin molecule in water, methanol and dimethyl sulfoxide solvents have been studied using molecular dynamics (MD) computer simulations in the isobaric-isothermal…
Liquid water within the cathode Gas Diffusion Layer (GDL) and Gas Channel (GC) of Proton Exchange Membrane Fuel Cells (PEMFCs) is strongly coupled to gas transport properties, thereby affecting the electrochemical conversion rates. In this…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…
Dielectric barrier discharges (DBDs) are widely used in applications such as ozone generation and volatile organic compound treatment, where performance can be enhanced through catalyst integration. A fundamental understanding of reactive…