Related papers: Molecular Dynamics Simulations of Weak Detonations
We present a mesoscopic approach to granular crystal dynamics, which comprises a three-dimensional finite-element model and a one-dimensional regularized contact model. The approach investigates the role of vibrational-energy trapping…
Dynamics of spreading of small droplets on surfaces has been studied by the molecular dynamics method. Simulations have been performed for mixtures of solvent and dimer, and solvent and tetramer droplets. For solvent particles and dimers,…
Weakly magnetized, relativistic collisionless shock waves are not only the natural offsprings of relativistic jets in high-energy astrophysical sources, they are also associated with some of the most outstanding displays of energy…
We extend the phase field crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of…
Liquid ammonia is a promising carbon-free energy carrier, but its high volatility and low reactivity lead to detonation dynamics that differ significantly from those of liquid hydrocarbons. Using Eulerian-Lagrangian simulations, we revealed…
Acoustic perturbations to stellar envelopes can lead to the formation of weak shock waves via nonlinear wave-steepening. Close to the stellar surface, the weak shock wave increases in strength and can potentially lead to the expulsion of…
The present work revisits the problem of modelling the real gaseous detonation dynamics at the macro-scale by simple steady one-dimensional (1D) models. Experiments of detonations propagating in channels with exponentially expanding…
The nonlinear evolution of unstable C-type shocks in weakly ionized plasmas is studied by means of time-dependent magnetohydrodynamical simulations. This study is limited to shocks in magnetically dominated plasmas (in which the Alfven…
The present study investigates the spatio-temporal variability in the dynamics of self-sustained supersonic reaction waves propagating through an excitable medium. The model is an extension of Fickett's detonation model with a state…
Nonlinear dynamics of photoinduced cooperative phenomena is studied by numerical calculations on a model of molecular crystals. We found that the photoinduced nucleation process is triggered only when certain amount of excitation energy is…
Quantum molecular dynamics is applied to study the ground state properties of nuclear matter at subsaturation densities. Clustering effects are observed as to soften the equation of state at these densities. The structure of nuclear matter…
We obtain an expression for the energy of the density wave propagating in a multicomponent gravitating medium in the form well known from electrodynamics. Using the above, the possibility of "triple production" of the quasi-particles, or…
A two-electron one-dimensional model of a heteroatomic molecule composed of two open-shell atoms is considered. Including only two electrons isolates and examines the effect that the highest occupied molecular orbital has on the Kohn-Sham…
We present molecular dynamics simulations of mono- or bidisperse inelastic granular gases driven by vibrating walls, in two dimensions (without gravity). Because of the energy injection at the boundaries, a situation often met…
The crystallization of a metastable melt is one of the most important non equilibrium phenomena in condensed matter physics, and hard sphere colloidal model systems have been used for several decades to investigate this process by…
We report here the results of Molecular Dynamics simulations of the drift mobility of negative oxygen ions in very dense neon gas in the supercritical phase. The simulations relatively well reproduce the trend of the experimental data. The…
We begin with the theoretical study of spectral energy cascade due to the propagation of high amplitude sound in the absence of thermal sources. To this end, a first-principles-based system of governing equations, correct up to second order…
Abstract. Energetic materials, such as explosives, propellants and pyrotechnics, are widely used in civilian and military applications. Nanoscale explosives represent a special group because of high density of energetic covalent bonds. The…
The motion of three-dimensional (3D) solitary waves and solitons in nonlinear crystal-like structures, such as photonic materials, is studied. It is demonstrated that collective excitations in these systems can be tailored to move in…
The filtration of fluid in 2D porous medium is simulated by the molecular dynamics technique. The high concentration of fluid is created at the initial point in time and the number of fluid particles is investigated in all porous. The…