Related papers: Molecular Dynamics Simulation on Stability of Conv…
We report on an ongoing project to develop a large scale Direct Simulation Monte Carlo code. The code is primarily aimed towards applications in astrophysics such as simulations of core-collapse supernovae. It has been tested on shock wave…
Molecular Dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, which range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size…
We report three-dimensional hydrodynamical simulations of shocks (${\cal M_{\rm shock}}\geq 4$) interacting with fractal multicloud layers. The evolution of shock-multicloud systems consists of four stages: a shock-splitting phase in which…
Shock-driven multiphase mixing occurs in many physical systems such as explosive dispersal of chemical or biological agents, in the evolution of supernova remnants, and in supersonic and detonative combustion engines. This mixing process is…
Molecular dynamics simulations of miscible and partially miscible binary Lennard--Jones mixtures are used to study the dynamics and thermodynamics of vapor condensation onto a non-volatile liquid drop in the canonical ensemble. When the…
Recently the supercooled Wahnstrom binary Lennard-Jones mixture was partially crystallized into ${\rm MgZn_2}$ phase crystals in lengthy Molecular Dynamics simulations. We present Molecular Dynamics simulations of a modified Kob-Andersen…
A fluid flow in a simple dense liquid, passing an obstacle in a two-dimensional thin film geometry, is simulated by Molecular Dynamics (MD) computer simulation and compared to results of Lattice Boltzmann (LB) simulations. By the…
We study the Lagrangian dynamics of semi-flexible macromolecules in laminar as well as in homogeneous and isotropic turbulent flows by means of analytically solvable stochastic models and direct numerical simulations. The statistics of the…
Molecular dynamics simulations are used to study structure formation in simple model polymer chains that are subject to excluded volume and torsional interactions. The changing conformations exhibited by chains of different lengths under…
We presents results from Smoothed Particle Magnetohydrodynamics simulations of collapsing molecular cloud cores, and dynamo amplification of the magnetic field in the presence of Mach 10 magnetised turbulence. Our star formation simulations…
We investigate nanoflows through dilute disordered media by means of joint lattice Boltzmann (LB) and molecular dynamics (MD) simulations -- when the size of the obstacles is comparable to the size of the flowing particles -- for randomly…
A large-scale molecular dynamics simulation is performed on a glass-forming Lennard-Jones mixture to determine the nature of dynamical heterogeneities which arise in this model fragile liquid. We observe that the most mobile particles…
A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is…
Shock waves constitute discontinuities in matter which are relevant in studying the plasma behaviour in astrophysical scenarios and in heavy-ion collision. They can produce conical emission in relativistic collisions and are also thought to…
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…
We study equilibrium properties of polymer films and droplets on a solid substrate employing particle-based simulation techniques (Molecular Dynamics) and a continuum description. Parameter-passing techniques are explored that facilitate a…
Molecular dynamics simulations (mds) were carried out to investigate the reorientational motion of a rigid (fixed bond length), asymmetric diatomic molecule in the liquid and glassy states. In the latter the molecule reorients via…
A flat-plate laminar boundary layer is simulated at Mach 6 and unit Reynolds number of 1.1e7 using the Direct Simulation Monte Carlo (DSMC) method to capture and analyze spontaneous second-mode instability growth. Power spectral density…
Shocks waves are a ubiquitous feature of many astrophysical plasma systems, and an important process for energy dissipation and transfer. The physics of these shock waves are frequently treated/modeled as a collisional, fluid MHD…
Magnetohydrodynamic (MHD) simulations have been used to study disk accretion to a rotating magnetized star with an aligned dipole moment. Quiescent initial conditions were developed in order to avoid the fast initial evolution seen in…