Related papers: Molecular Dynamics Simulations of Weak Detonations
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…
A two-dimensional electromagnetic particle-in-cell simulation with the realistic ion-to-electron mass ratio of 1836 is carried out to investigate the electrostatic collisionless shocks in relatively high-speed (~3000 km s^-1) plasma flows…
We study a two-dimensional model of an active isotropic colloid whose propulsion is linked to the interactions between solute particles of the bath. The colloid catalyzes a chemical reaction in its vicinity, that yields a local phase…
We experimentally probe nonlinear wave propagation in weakly compressed granular media, and observe a crossover from quasi-linear sound waves at low impact, to shock waves at high impact. We show that this crossover grows with the confining…
We present a fingerprint-like method to analyze material defects after energetic particle irradiation by computing a rotation invariant descriptor vector for each atom of a given sample. For ordered solids this new method is easy to use,…
Three-dimensional molecular dynamics simulations of dissipative particles (~ 10^6) are carried out for studying the clustering kinetics of granular media during cooling. The inter-connected high particle density regions are identified,…
We present molecular-dynamic simulations of memory resistors (memristors) including the crystal field effects on mobile ionic species such as oxygen vacancies appearing during operation of the device. Vacancy distributions show different…
Warm dense matter (WDM)--an exotic, highly compressed state of matter between solid and plasma phases is of high current interest, in particular for astrophysics and inertial confinement fusion. For the latter, in particular the propagation…
We study the nonlinear wave dynamics of one-dimensional chains of polycatenated rings. These interlocked structures support amplitude-dependent nonlinear wave propagation driven by tensile activation and internal structural flexibility,…
We describe the dynamic response of a two-dimensional hexagonal packing of uncompressed stainless steel spheres excited by localized impulsive loadings. After the initial impact strikes the system, a characteristic wave structure emerges…
Smoothed Dissipative Particle Dynamics (SDPD) is a mesoscopic method which allows to select the level of resolution at which a fluid is simulated. The aim of this work is to extend SDPD to chemically reactive systems.To this end, an…
We study colloidal particle dynamics of a model glass system using confocal and fluorescence microscopy as the sample evolves from a hard-sphere glass to a liquid with attractive interparticle interactions. The transition from hard-sphere…
Using a non-perturbative classical approach, we study the dynamics of a mobile particle interacting with an infinite one-dimensional (1D) chain of harmonic oscillators. This minimal system is an effective model for many 1D transport…
The ion-electron coupling properties for a ion impurity in an electron gas and for a two component plasma are carried out on the basis of a regularized electron-ion potential removing the short-range Coulomb divergence. This work is largely…
A self-consistent three-dimensional model for a complex (dusty) plasma is used to study the effects of multiple-sized dust grains in a dust crystal. In addition to the interparticle forces, which interact through a Yukawa potential, the…
Understanding the collapse of dense molecular cloud cores to stellar densities and the subsequent evolution of the protostar is of importance to model the feedback effects such an object has on its surrounding environment, as well as…
In most cases the ultrafast dynamics of resonantly excited molecules are considered, and almost always computed in the molecular frame, while experiments are carried out in the laboratory frame. Here we provide a formalism in terms of a lab…
The kinetics of dislocation reactions, such as dislocation multiplication, controls the plastic deformation in crystals beyond their elastic limit, therefore critical mechanisms in a number of applications in materials science. We present a…
We present efficient and reliable molecular dynamics simulations of the photodissociation of dichloromethane followed by Coulomb explosion. These simulations are performed by calculating trajectories on accurate potential energy surfaces of…