Related papers: One-dimensional moving window atomistic framework …
Despite their success in microscale modeling of materials, atomistic methods are still limited by short time scales, small domain sizes, and high strain rates. Multiscale formulations can capture the continuum-level response of solids over…
Atomistic methods have successfully modeled different aspects of shock wave propagation in mate-rials over the past several decades, but they suffer from limitations which restrict the total runtime and system size. Multiscale methods have…
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…
This paper introduces a novel methodology for modeling stationary shock waves in porous materials, which employs the recently developed moving window technique. The core of this method is the iterative adjustment of the reference frame to…
One-dimensional alternating particle systems are widely used to study interconnections between the hydrodynamics of blast waves in a gas-like medium and the Newtonian dynamics of its corpuscular constituents. We study the model in which…
Structurally-stable atomistic one-dimensional shockwaves have long been simulated by injecting fresh cool particles and extracting old hot particles at opposite ends of a simulation box. The resulting shock profiles demonstrate tensor…
We develop a Continuous Hugoniot Method for the efficient simulation of shock wave fronts with molecular dynamics. This approach achieves a significantly improved efficiency in the generation of a dense sampling of steady-state shock front…
We present a molecular dynamics simulation of shock waves propagating in dense deuterium with the electron force field method [J. T. Su and W. A. Goddard, Phys. Rev. Lett. 99, 185003 (2007)], which explicitly takes the excitation of…
Context. Atomic and molecular line emissions from shocks may provide valuable information on the injection of mechanical energy in the interstellar medium (ISM), the generation of turbulence, and the processes of phase transition between…
Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…
Transmission of hydrogen detonation wave (DW) in an inert particle curtain is simulated using the Eulerian-Lagrangian approach with gas-particle two-way coupling. A detailed chemical mechanism is used for hydrogen detonative combustion and…
The effect of a standing acoustic wave on the diffusion of an ad-atom on a crystalline surface is theoretically studied. We used an unidimensional space model to study the ad-atom+substrate system. The dynamic equation of the ad-atom, a…
Molecular dynamics (MD) simulation based on Langevin equation has been widely used in the study of structural, thermal properties of matters in difference phases. Normally, the atomic dynamics are described by classical equations of motion…
We present a full investigation into shock wave profile description using hydrodynamics models. We identified constitutive equations that provide better agreement for all parameters involved in testing hydrodynamic equations for the…
Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD…
The propagation of detonation waves in reactive media bounded by an inert, compressible layer is examined via computational simulations in two different geometries, axisymmetric cylinders and two dimensional, planar slabs. For simplicity,…
One-dimensional numerical simulations based on hybrid Eulerian-Lagrangian approach are performed to investigate the interactions between propagating shock waves and dispersed evaporating water droplets in two-phase gas-droplet flows.…
A modification of Mott-Smith method for predicting the one-dimensional shock wave solution is presented. Mott-Smith distribution function is used to construct the system of moment equations to study the steady-state structure of shock wave…
Media composed of colliding hard disks (2D) or hard spheres (3D) serve as good approximations for the collective hydrodynamic description of gases, liquids and granular media. In the present study, the compressible hydrodynamics and shock…
The combination of fast propagation speeds and highly localized nature has hindered the direct observation of the evolution of shock waves at the molecular scale. To address this limitation, an experimental system is designed by tuning a…