Related papers: Molecular Dynamics Simulation on Stability of Conv…
We employ two different atomistic methods to investigate solute-defect interactions in nanosized palladium-hydrogen (Pd-H) systems across multiple time scales. The first method, referred to as Diffusive Molecular Dynamics (DMD), focuses on…
Despite decades of research, the modeling of moving contact lines has remained a formidable challenge in fluid dynamics whose resolution will impact numerous industrial, biological, and daily life applications. On the one hand, molecular…
We present Molecular Dynamics (MD), Quasi Harmonic Lattice Dynamics (QHLD) and Energy Minimization (EM) calculations for the crystal structure of Ne, Ar, Kr and Xe as a function of pressure and temperature. New Lennard-Jones (LJ) parameters…
Many astrophysical explosions, such as type Ia supernovae, classical novae, and X-ray bursts, are dominated by thermonuclear runaway. To model these processes accurately, one must evolve nuclear reactions concurrently with hydrodynamics. We…
Liquid droplets sliding along solid surfaces are a frequently observed phenomenon in nature, e.g., raindrops on a leaf, and in everyday situations, e.g., drops of water in a drinking glass. To model this situation, we use a phase field…
The aim of this paper is to propose a 2D computational algorithm for modeling of the trigger and the propagation of shallow landslides caused by rainfall. We used a Molecular Dynamics (MD) inspired model, similar to discrete element method…
Outflows of young stars drive shocks into dusty, molecular regions. Most models of such shocks assume that they are steady and propagating perpendicular to the magnetic field. Real shocks often violate both of these assumptions and the…
Motile and driven particles confined in microfluidic channels exhibit interesting emergent behavior from propagating density bands to density shock waves. A deeper understanding of the physical mechanisms responsible for these emergent…
The shear viscosity of a Lennard-Jones fluid is obtained by stochastic dissipative molecular dynamics (SDMD) simulations. A generic constraint to the equations of motion is given that reduces the sensitivity of the shear viscosity to the…
Continuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found…
The molecular structure of moving contact lines (MCLs) and the emergence of a corresponding macroscopic dissipation have made the MCL a paradigm of fluid dynamics. Through novel averaging techniques that remove capillary waves smearing we…
We present a mesoscopic model for reactive shock waves, which extends a previous model proposed in [G. Stoltz, Europhys. Lett. 76 (2006), 849]. A complex molecule (or a group of molecules) is replaced by a single mesoparticle, evolving…
What lattice Lennard-Jones (LJ) solid favors, the lattice identification of simulated system and the microstructures of liquid and non-crystalline solid are three important questions in condensed physics and material science and are…
We present a molecular dynamics study of the effects of carbon- and iron-ion induced shock waves in DNA duplexes in liquid water. We use the CHARMM force field implemented within the MBN Explorer simulation package to optimize and…
We present results of 2D and 3D PIC simulations of magnetic turbulence production by isotropic cosmic-ray ions drifting upstream of SNR shocks. The studies aim at testing recent predictions of a strong amplification of short wavelength…
We review a dynamical approach to non-equilibrium MD (D-NEMD). We show how, using a proper simulation setup, is possible to treat interesting cases in which the initial condition is a stationary non-equilibrium state produced by a suitable…
We study the nonlinear evolution of the magnetic Rayleigh-Taylor instability using three-dimensional MHD simulations. We consider the idealized case of two inviscid, perfectly conducting fluids of constant density separated by a contact…
The steady state motion of cylindrical droplets under the action of external body force is investigated both theoretically and via lattice Boltzmann simulation. As long as the shape-invariance of droplet is maintained, the droplet's…
We prove a stable shock formation result for a large class of systems of quasilinear wave equations in two spatial dimensions. We give a precise description of the dynamics all the way up to the singularity. Our main theorem applies to…
We consider a two-dimensional athermal binary mixture of Lennard-Jones particles with persistent random active forces. The liquid phase of this system for active forces exceeding a threshold value exhibits self-organization with long-range…