Related papers: Reacting condensed phase explosives in direct cont…
A general formulation was developed to represent material models for applications in dynamic loading. Numerical methods were devised to calculate response to shock and ramp compression, and ramp decompression, generalizing previous…
A scattering resonance is one of the most striking quantum effects in low-temperature molecular collisions. Predicted decades ago theoretically, they have only been resolved experimentally for systems involving at most four atoms. Extension…
In this work, we introduce a collision model specifically tailored for the simulation of inextensible textiles. The model considers friction, contacts, and inextensibility constraints all at the same time without any decoupling.…
Contact dynamics (CD) is a powerful method to solve the dynamics of large systems of colliding rigid bodies. CD can be computationally more efficient than classical penalty-based discrete element methods (DEM) for simulating contact between…
Modeling composite systems of spins or electrons coupled to bosonic modes is of significant interest for many fields of applied quantum physics and chemistry. A quantum simulation can allow for the solution of quantum problems beyond…
The rapid interaction of highly energetic particle beams with matter induces dynamic responses in the impacted component. If the beam pulse is sufficiently intense, extreme conditions can be reached, such as very high pressures, changes of…
Molecular dynamics (MD) simulation with modified Brenner's reactive empirical bond order (REBO) potential is a powerful tool to investigate plasma wall interaction on divertor plates in a nuclear fusion device. However, MD simulation box's…
We present a parallel-scalable method for simulating non-dilute suspensions of deformable particles immersed in Stokesian fluid in three dimensions. A critical component in these simulations is robust and accurate collision handling. This…
Discrete particle simulations have become the standard in science and industrial applications exploring the properties of particulate systems. Most of such simulations rely on the concept of interacting spherical particles to describe the…
We introduce a simple and efficient algorithm for diffusion in smoothed particle hydrodynamics (SPH) simulations and apply it to the problem of chemical mixing. Based on the concept of turbulent diffusion, we link the diffusivity of a…
We establish a high-resolution, high-performance, and high-confidence compressible multiphysics system in a Cartesian grid with irregular boundary topologies to simulate intensive blast waves propagating in large-scale and extremely complex…
Binary droplet collisions are of importance in a variety of practical applications comprising dispersed two-phase flows. The background of our research is the prediction of properties of particulate products formed in spray processes. To…
We present a new efficient method to compute Uehling-Uhlenbeck collision integral for all two-particle interactions in relativistic plasma with drastic improvement in computation time with respect to existing methods. Plasma is assumed…
The shock response of two-dimensional model high explosive crystals with various arrangements of circular voids is explored. We simulate a piston impact using molecular dynamics simulations with a Reactive Empirical Bond Order (REBO) model…
Coupled-channel two-particle systems bound by a harmonic trap are discussed in the present paper. We derive the formula that relates the energy levels of such trapped systems to phase shifts and inelasticity of coupled-channel reactions.…
An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of…
The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a persistent challenge for quantum chemistry. In order to…
We propose a fast method for the calculation of short-range interactions in molecular dynamics simulations. The so-called random-batch list method is a stochastic version of the classical neighbor-list method to avoid the construction of a…
Granular impact -- the dynamic intrusion of solid objects into granular media -- is widespread across scientific and engineering applications including geotechnics. Existing approaches for simulating granular impact dynamics have relied on…
One of the most important and difficult parts of constructing a multidimensional numerical simulation of flame acceleration and deflagration-to-detonation transition (DDT) in a reacting flow is finding a reliable and affordable model of the…