Related papers: Molecular-Dynamics Simulation of Vulcanian Eruptio…
We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach -- based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a…
A hybrid mesoscopic multi-particle collision model is used to study diffusion-influenced reaction kinetics. The mesoscopic particle dynamics conserves mass, momentum and energy so that hydrodynamic effects are fully taken into account.…
We performed molecular dynamics (MD) simulations of the nucleation of water vapor in order to test nucleation theories. Simulations were performed for a wide range of supersaturation ratios (S = 3-25) and water temperatures (Tw=300-390K).…
This paper considers the formation of the magma volcano chamber and its eruption due to melting of the matter within the earth crust because of heating caused by plastic deformation occurring during tectonic movement. The expansion of…
A molecular dynamics study of a two dimensional system of particles interacting through a Lennard-Jones pairwise potential is performed at fixed temperature and vanishing external pressure. As the temperature is increased, a solid-to-liquid…
We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width $D$. The pore walls are assumed to be flat and structureless, and attract one component of the mixture (A)…
Modeling membrane interactions with arbitrarily shaped colloidal particles, such as environmental micro- and nanoplastics, at the cell scale remains particularly challenging, owing to the complexity of particle geometries and the need to…
Many soft and biological materials display so-called 'soft glassy' dynamics; their constituents undergo anomalous random motions and complex cooperative rearrangements. A recent simulation model of one soft glassy material, a coarsening…
The dynamics of rapidly collapsing bubbles are of great interest due to the high degree of energy focusing that occurs withing the bubble. Molecular dynamics provides a way to model the interior of the bubble and couple the gas dynamics…
The temporal evolution of a dilute granular gas, both in a compressible flow (uniform longitudinal flow) and in an incompressible flow (uniform shear flow), is investigated by means of the direct simulation Monte Carlo method to solve the…
An extended analytical model for particle dynamics in fields of a highly-nonlinear plasma wake field (the bubble or blow out regime) is derived. A recently proposed piecewise model (Kostyukov et al., New J. Phys., {\bf 12}, 045009 (2010))…
Strong non-relativistic shocks are known to accelerate particles up to relativistic energies. However, for Diffusive Shock Acceleration electrons must have a highly suprathermal energy, implying a need for very efficient pre-acceleration.…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
The molecular dynamics lattice gas method maps a molecular dynamics simulation onto a lattice gas using a coarse-graining procedure. This is a novel fundamental approach to derive the lattice Boltzmann method by taking a Boltzmann average…
We propose a model for the simulation of the blowdown of vessels containing two-phase (gas-liquid) hydrocarbon fluids, considering non equilibrium between phases. Two phases may be present either already at the beginning of the blowdown…
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…
A Molecular Dynamics (MD) parallel to the Control Volume (CV) formulation of fluid mechanics is developed by integrating the formulas of Irving and Kirkwood, J. Chem. Phys. 18, 817 (1950) over a finite cubic volume of molecular dimensions.…
We have performed non-equilibrium dynamics simulations of a binary Lennard-Jones mixture in which an external force is applied on a single tagged particle. For the diffusive properties of this particle parallel to the force superdiffusive…
A numerical hydrodynamic model of a vibrated granular bed in 2D is elaborated based on a highly accurate Shock Capturing scheme applied to the compressible Navier-Stokes equations for granular flow. The hydrodynamic simulation of granular…
Multi-particle collision dynamics (MPCD) is a mesoscopic simulation method to simulate fluid particle-like flows. MPCD has been widely used to simulate various problems in condensed matter. In this study, hydrostatic behavior of gas in the…