Related papers: Molecular Dynamics Simulations of Weak Detonations
After making modifications to the Reactive Empirical Bond Order potential for Molecular Dynamics (MD) of Brenner et al. in order to make the model behave in a more conventional manner, we discover that the new model exhibits detonation…
An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dissipative Particule Dynamics is presented and applied to liquid nitromethane. Large scale non-equilibrium simulations of reacting…
In this fluid dynamic video we present simulations of converging two-dimensional detonation in a radially expanding supersonic flow of ideal reactive gas. The detonation is found to be unstable and leads to formation of characteristic…
The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and…
A model for three dimensional detonation is proposed based on the approximation that the detonation thickness is small compared to the characteristic scales of the fluid motion. In this framework detonations are treated as a modified…
We use molecular dynamic to simulate the directional growth of binary mixtures. our results compare very well with analitical and experimental results. This opens up the possibility to probe growth situations which are difficult to reach…
A collisionless shock wave is treated as a streaming plasma instability in the interstellar medium (ISM). We assume that in a steady state, this instability propagates through the ISM as a self-driven plasma instability, whereby the…
The effect of non-Boltzmann energy distributions on the free propagation of shock waves through a monoatomic gas is investigated via theory and simulation. First, the non-Boltzmann heat capacity ratio $\gamma$, as a key property for…
We present a model of mesoparticles, very much in the Dissipative Particle Dynamics spirit, in which a molecule is replaced by a particle with an internal thermodynamic degree of freedom (temperature or energy). The model is shown to give…
Weak detonations have remained experimentally elusive since their theoretical prediction, with previous realization attempts requiring either pathological detonations or Zeldovich spontaneous waves. Here, we demonstrate that stable weak…
In shockwave theory, the density, velocity and pressure jumps are derived from the conservation equations. Here, we address the physics of a weak shock the other way around. We first show that the density profile of a weak shockwave in a…
Recent experiments have shown the likely appearance of coherent BEC atom-molecule oscillations in the vicinity of a Feshbach resonance. In addition, a new loss mechanism was observed, whereby the loss of atoms from the BEC is inversely…
Time-resolved investigations of ultrafast electronic and molecular dynamics were not possible until recently. The typical time scale of these processes is in the picosecond to attosecond realm. The tremendous technological progress in…
Irradiation- and collision-induced fragmentation studies provide information about geometry, electronic properties and interactions between structural units of various molecular systems. Such knowledge brings insights into…
Event-driven molecular dynamics simulations are carried out on two rigid body systems which differ in the symmetry of their molecular mass distributions. First, simulations of methane in which the molecules interact via discontinuous…
A simple model of the molecular crystal of $N$ atoms as a statistical mixture in real space of $NX$ atoms in excited and $N(1-X)$ atoms in well localized ground state is considered. The phase coherence of the atomic wave functions is…
Core-collapse supernovae span a wide range of energies, from much less than to much greater than the binding energy of the progenitor star. As a result, the shock wave generated from a supernova explosion can have a wide range of Mach…
A kinetic model based on the Particles on Demand method is introduced for gas phase detonation hydrodynamics in conjunction with the Lee--Tarver reaction model. The proposed model is realized on two- and three-dimensional lattices and is…
Molecular Dynamic (MD) approach is applied to study the converging cylindrical shock waves in a dense Lennard-Jones (LJ) fluid. MD method is based on tracking of the atom motions and hence it has an fundamental advantages over hydrodynamic…
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…