相关论文: Direct MD simulation of liquid-solid phase equilib…
The description of surface-diffusion controlled dynamics via the phase-field method is less trivial than it appears at first sight. A seemingly straightforward approach from the literature is shown to fail to produce the correct…
We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
Soda-lime-silica is a glassy system of strong industrial interest. In order to characterize its liquid state properties, we performed molecular dynamics simulations employing an aspherical ion model that includes atomic polarization and…
An argon-xenon (Ar/Xe) plasma is used as a model system for complex plasmas. Based on this system, symmetric low-pressure capacitively coupled radio-frequency discharges are examined utilizing Particle-In-Cell/Monte Carlo Collisions…
The primary target of this paper is to present novel compounds in view of their possible use as oxidizers in propulsion applications using molecular modeling calculations and supersonic flow simulations. Carbon-based heterocyclic compounds…
Heavy-ion collisions are well described by a dynamical evolution with a long hydrodynamical phase. In this phase the properties of the strongly coupled quark-gluon plasma are reflected in the equation of state (EoS) and the transport…
A complete model of helium-like line and continuum emission has been incorporated into the plasma simulation code Cloudy. All elements between He and Zn are treated, any number of levels can be considered, and radiative and collisional…
Direct numerical simulation of liquid-gas-solid flows is uncommon due to the considerable computational cost. As the grid spacing is determined by the smallest involved length scale, large grid sizes become necessary -- in particular if the…
We study, globaly in time, the velocity distribution $f(v,t)$ of a spatially homogeneous system that models a system of electrons in a weakly ionized plasma, subjected to a constant external electric field $E$. The density $f$ satisfies a…
We study the zero-temperature phase diagram of two-dimensional helium-4 using neural quantum states. Our variational description allows us to address liquid and solid phases using the same functional form as well as exploring possible…
A 2D particle simulation models the collision of two electron-ion plasma clouds along a quasi-parallel magnetic field. The collision speed is 0.9c and the density ratio 10. A current sheet forms at the front of the dense cloud, in which the…
The equilibrium phase diagram of a 1:1 symmetrical mixture composed of oppositely charged colloids is calculated using Monte Carlo simulations. We model the system by the DLVO effective interaction potential. The phase diagram is similar to…
This work models the propagation of an optical pulse in a 4-level atomic system in the electromagnetic induced transparency regime. By demonstrating that linear and nonlinear optical properties can be externally controlled and tailored by a…
A simulation model is presented, comprising elastic spheres with a short range attraction. Besides conservative forces, radial- and shear friction, and radial noise are added. The model can be used to simulate colloids, granular solids and…
Single carbon pellet disruption mitigation simulations using M3D-C1 were conducted in an NSTX-U-like plasma to support the electromagnetic pellet injection concept (EPI). A carbon ablation model has been implemented in M3D-C1 and tested…
The present study investigates the effect of temperature-induced change of phase from face centred cubic solid to liquid on the size dependence of self diffusivity of solutes through detailed molecular dynamics simulations on binary…
Ionic conductivity is a critical property of solid ionic conductors, directly influencing the performance of energy storage devices such as batteries. However, accurately calculating ionic conductivity or diffusion coefficient remains…
The extent of mixed regions around convective zones is one of the biggest uncertainties in stellar evolution. 1D overshooting descriptions introduce a free parameter ($f_{ov}$) that is in general not well constrained from observations.…
We have studied the breakup and subsequent fluid flow in very thin films of partially wetting liquid on solid substrates, using molecular dynamics simulations. The liquid is made of short chain molecules interacting with Lennard-Jones…
We consider a simple model consisting of particles with four bonding sites ("patches"), two of type A and two of type B, on the square lattice, and investigate its global phase behavior by simulations and theory. We set the interaction…