Related papers: Molecular Dynamics Simulation on Stability of Conv…
A dynamical atomistic chain to simulate mechanical properties of a one-dimensional material with zero temperature may be modelled by the molecular dynamics (MD) model. Because the number of particles (atoms) is huge for a MD model, in…
We propose a method for multi-scale hybrid simulations of molecular dynamics (MD) and computational fluid dynamics (CFD). In the method, usual lattice-mesh based simulations are applied for CFD level, but each lattice is associated with a…
We extend the linear analysis of the drag instability in a 1D perpendicular isothermal C-shock by Gu & Chen to 2D perpendicular and oblique C-shocks in the typical environment of star-forming clouds. Simplified dispersion relations are…
We present a concurrent Monte Carlo (MC) - molecular dynamics (MD) approach to modeling of matter response to excitation of its electronic system. The two methods are combined on-the-fly at each time step in one code, TREKIS-4. The MC model…
We analyze the transport and deposition behavior of dilute microparticles in turbulent Rayleigh-B\'enard convection. Two-dimensional direct numerical simulations were carried out for the Rayleigh number ($Ra$) of $10^{8}$ and the Prandtl…
A thin plate or slab, prepared so that opposite faces have different surface stresses, will bend as a result of the stress difference. We have developed a classical molecular dynamics (MD) formulation where (similar in spirit to…
We propose a simple microscopic model of molecular dynamics simulation to study orientational glass in three dimensions. We present simulation results for mixtures of mildly anisotropic particles and spherical impurities. We realize fcc…
Current design constraints have encouraged the studies of aeroacoustic fields around compressible jet flows. The present work addresses the numerical study of unsteady turbulent jet flows as a preparation for future aeroacoustic analyses of…
A mesoscopic model of a diblock copolymer is used to study the stability of a uniform lamellar phase under a reciprocating shear flow. Approximate viscosity contrast between the microphases is allowed through a linear dependence of the…
We develop a method for simulating colloidal suspensions using multiparticle collision dynamics (MPCD) with a discrete particle model represented as a rigid body. The key steps for incorporating the rigid-body constraints are to thermalize…
We present results from the first global 3D MHD simulations of accretion disks in Cataclysmic Variable (CV) systems in order to investigate the relative importance of angular momentum transport via turbulence driven by the magnetorotational…
We investigate flow instability created by an oblique shock wave impinging on a Mach 5.92 laminar boundary layer at a transitional Reynolds number. The adverse pressure gradient of the oblique shock causes the boundary layer to separate…
Dynamics of spreading of viscous non - volatile fluid droplets on surfaces is modelled using a solid - on - solid model, which is studied with Monte Carlo simulations. Tendency for dynamical layering and surface attraction are in part…
The dynamic and static critical behavior of five binary Lennard-Jones liquid mixtures, close to their continuous demixing points (belonging to the so-called model H' dynamic universality class), are studied computationally by combining…
We report an experimental observation of an instability in gas of constant density (air) with an initial non-uniform seeding of small droplets that develops as a planar shock wave passes through the gas-droplet mix. The seeding…
Motion in a one-dimensional (1D) microfluidic array is simulated. Water droplets, dragged by flowing oil, are arranged in a single row, and due to their hydrodynamic interactions spacing between these droplets oscillates with a wave-like…
In this paper, two-dimensional (2-D) hybrid simulations are performed to investigate ion dynamics at a rippled quasi-parallel shock. The results show that the ripples around the shock front are inherent structures of a quasi-parallel shock,…
A full analysis of all regimes for optical dispersive shock wave (DSW) propagation in nematic liquid crystals is undertaken. These dispersive shock waves are generated from step initial conditions for the optical field and are resonant in…
Multiparticle collision dynamics (MPCD) is a flexible and robust mesoscale computational technique for simulating solvent-mediated hydrodynamic interactions in soft materials. Here, we provide a critical overview of the MPCD method and…
The first-order phase transitions and related thermodynamics properties are primary concerns of materials sciences and engineering. In traditional atomistic simulations, the phase transitions and the estimation of their thermodynamic…