Related papers: Molecular Dynamics Simulations of Weak Detonations
Different simplified and detailed chemical models and their impact on simulations of combustion regimes initiating by the initial temperature gradient in methane/air mixtures are studied. The limits of the regimes of reaction wave…
The dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface is studied using molecular dynamics simulations. We consider the bead-spring model to represent a polymeric liquid that partially wets a…
Extreme deformation of soft matter is central to our understanding of the effects of shock, fracture, and phase change in a variety of systems. Yet, despite, the increasing interest in this area, far-from-equilibrium behaviours of soft…
We study the time evolution of the wave function of a particle bound by an attractive $\delta$-function potential when it is subjected to time dependent variations of the binding strength (parametric excitation). The simplicity of this…
A deformable body can rotate even with no angular momentum, simply by changing its shape. A good example is a falling cat, how it maneuvers in air to land on its feet. Here a first principles molecular level example of the phenomenon is…
Relativistic energy density functionals have become a standard framework for nuclear structure studies of ground-state properties and collective excitations over the entire nuclide chart. We review recent developments in modeling nuclear…
Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…
We studied the step dynamics during crystal sublimation and growth in the limit of fast surface diffusion and slow kinetics of atom attachment-detachment at the steps. For this limit we formulate a model free of the quasi-static…
We investigate the physics of ultracold dipolar molecules using path-integral quantum Monte Carlo simulations, and construct the complete phase diagram extending from weak to strong interactions and from small to mesoscopic particle…
In this paper, 3D detonation numerical studies are conducted using reactive Euler equations in both straight and curved channels. These simulations are compared to investigate the response of detonation to curvature within infinitely long…
Two-dimensional simulations are conducted to investigate the direct initiation of cylindrical detonation in hydrogen/air mixtures with detailed chemistry. The effects of hotspot condition and mixture composition gradient on detonation…
We simulate the decay of isolated, spherically symmetric droplets in a cosmological phase transition. It has long been posited that such heated droplets of the metastable state could form, and they have recently been observed in 3D…
Disordered packings of soft grains are fragile mechanical systems that loose rigidity upon lowering the external pressure towards zero. At zero pressure, we find that any infinitesimal strain-impulse propagates initially as a non-linear…
The shock wave structure in a one-dimensional lattice (e.g. granular chain) with a power law dependence of force on displacement between particles with viscous dissipation is considered and compared to the corresponding long wave…
Dynamic properties of molecular motors that fuel their motion by actively interacting with underlying molecular tracks are studied theoretically via discrete-state stochastic ``burnt-bridge'' models. The transport of the particles is viewed…
Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity…
A molecule traveling in a realistic propagation environment can experience stochastic interactions with other molecules and the environment boundary. The statistical behavior of some isolated phenomena, such as dilute unbounded molecular…
Propulsion of colloidal particles due to momentum transfer from localized surface reactions is investigated by solving the exact unsteady Stokes equation. We model the effect of surface reactions as either a {\it force dipole} acting on the…
In turbulent magnetized plasmas, charged particles can be accelerated to high energies through their interactions with the turbulent motions. As they do so, they draw energy from the turbulence, possibly up to the point where they start…
Molecular dynamics simulations are performed for a finite non-relativistic system of particles with Lennard-Jones potential. We study the effect of liquid-gas mixed phase on particle number fluctuations in coordinate subspace. A metastable…