Related papers: Molecular Dynamics Simulations of Weak Detonations
In living cells, cycles of formation and dissolution of liquid droplets can mediate biological functions such as DNA repair. However, the minimal physicochemical prerequisite for such droplet oscillations remains elusive. Here, we present a…
The (1+1)-dimensional kinetic model of crystal growth with simulated self-attraction and random sequential or parallel dynamics is introduced and studied via Monte-Carlo simulations. To imitate the attraction of absorbing atoms the…
We study the collapse of an attractive atomic Bose-Einstein condensate prepared in the uniform potential of an optical-box trap. We characterise the critical point for collapse and the collapse dynamics, observing universal behaviour in…
Explosive events from magnetars are likely due to the catastrophic release of stress in their crusts, but the behavior of crustal matter beyond linear elasticity is poorly understood. We argue here that seminal results from molecular…
We use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reactions under shockwave-loading conditions. We find that such…
Non-linear sound is an extreme phenomenon typically observed in solids after violent explosions. But granular media are different. Right when they jam, these fragile and disordered solids exhibit a vanishing rigidity and sound speed, so…
A toy model of the post-shock region of core-collapse supernovae is used to study the non-linear development of turbulent motions driven by convection in the presence of advection. Our numerical simulations indicate that buoyant…
Molecular clouds (MCs) are stellar nurseries, however, formation of stars within MCs depends on the ambient physical conditions. MCs, over a free-fall time are exposed to numerous dynamical phenomena, of which, the interaction with a thin,…
This paper reports high resolution simulations using a fifth-order weighted essentially non-oscillatory (WENO) scheme with a third order TVD Runge-Kutta time stepping method to examine the features of detonation front and physics in square…
Living organisms are molecular systems with self-sustained dynamics via energy conversion through molecular cooperation, resulting in highly complex macroscopic behaviors. Construction of such autonomous macroscopic dynamics at a molecular…
Weakly nonlinear plane waves are considered in hyperelastic crystals. Evolution equations are derived at a quadratically nonlinear level for the amplitudes of quasi-longitudinal and quasi-transverse waves propagating in arbitrary…
The effect of an initial disturbance on the detonation front structure in a narrow duct is studied by three-dimensional numerical simulation. The numerical method used includes a high resolution fifth-order weighted essentially…
In strictly collisionless electrostatic shocks, the ion distribution function can develop discontinuities along phase-space separatrices, due to partial reflection of the ion population. In this paper, we depart from the strictly…
Deposition of smaller granular particles on a larger nucleus particle has been simulated in two-dimension using molecular dynamics method. Variation of sequences of velocity of deposited particles is conducted and reported in this work. The…
The interaction of mass-selected atomic clusters and nanoparticles with surfaces attracts strong interest in view of fundamental research and technological applications. Understanding dynamics of the deposition process is important for…
The temporal evolution of weak shocks in radiative media is theoretically investigated in this work. The structure of radiative shocks has traditionally been studied in a stationary framework. Their systematic classification is complex…
Vibrational dynamics governs the fundamental properties of molecular crystals, shaping their thermodynamics, mechanics, spectroscopy, and transport phenomena. However desirable, the first-principles calculation of solid-state vibrations,…
We explore the quantum dynamics of heteronuclear atomic collisions in waveguides and demonstrate the existence of a novel mechanism for the resonant formation of polar molecules. The molecular formation probabilities can be tuned by…
Mixed-quantum classical (MQC) methods for simulating the dynamics of molecules at metal surfaces have the potential to accurately and efficiently provide mechanistic insight into reactive processes. Here, we introduce simple two-dimensional…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…