相关论文: One-dimensional moving window atomistic framework …

We propose the use of a dynamical window to investigate the real-time evolution of quantum many-body systems in a one-dimensional lattice. In a recent paper [H. Phien et al, arxiv:????.????], we introduced infinite boundary conditions (IBC)…

Propagating slow waves in coronal loops exhibit a damping which depends upon the frequency of the waves. In this study we aim to investigate the relationship of the damping length (L$_d$) with the frequency of the propagating wave. We…

We present results of non-linear, 2D, numerical simulations of magneto-acoustic wave propagation in the photosphere and chromosphere of small-scale flux tubes with internal structure. Waves with realistic periods of three to five minutes…

We model the propagation of a coronal shock wave, using nonlinear geometrical acoustics. The method is based on the Wentzel-Kramers-Brillouin (WKB) approach and takes into account the main properties of nonlinear waves: i) dependence of the…

The mass (volume and areal densities) versus velocity as well as the size versus velocity distributions of a shock-induced cloud of particles are investigated using large scale molecular dynamics (MD) simulations. A generic 3D tin crystal…

The gravity-driven spreading of one fluid in contact with another fluid is of key importance to a range of topics. To describe these phenomena, the two-layer shallow-water equations is commonly employed. When one layer is significantly…

A novel Stochastic Event-Driven Molecular Dynamics (SEDMD) algorithm is developed for the simulation of polymer chains suspended in a solvent. The polymers are represented as chains of hard spheres tethered by square wells and interact with…

Mirroring their role in electrical and optical physics, two-dimensional crystals are emerging as novel platforms for fluid separations and water desalination, which are hydrodynamic processes that occur in nanoscale environments. For…

In this paper we present a mathematical theory and a numerical method to study the propagation of a three-dimensional (3-D) weak shock front into a polytropic gas in a uniform state and at rest, though the method can be extended to shocks…

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…

Molecular dynamics (MD) is a powerful tool for exploring the behavior of atomistic systems, but its reliance on sequential numerical integration limits simulation efficiency. We present a novel neural network architecture, MDtrajNet, and a…

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…

Dispersive shock waves (DSWs) in the Kadomtsev-Petviashvili (KP) equation and two dimensional Benjamin-Ono (2DBO) equation are considered using parabolic front initial data. Employing a front tracking type ansatz exactly reduces the study…

Diffusion in an evolving environment is studied by continuos-time Monte Carlo simulations. Diffusion is modelled by continuos-time random walkers on a lattice, in a dynamic environment provided by bubbles between two one-dimensional…

Detonation of a three-dimensional reactive non-isotropic molecular crystal is modeled using molecular dynamics simulations. The detonation process is initiated by an impulse, followed by the creation of a stable fast reactive shock wave.…

Antisymmetrized molecular dynamics with quantum branching is generalized so as to allow finite time duration of the unrestricted coherent mean field propagation which is followed by the decoherence into wave packets. In this new model, the…

Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…

Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using…

We present numerical simulations of acoustic wave propagation in confined granular systems consisting of particles interacting with the three-dimensional Hertz-Mindlin force law. The response to a short mechanical excitation on one side of…

Many astrophysical explosions, such as type Ia supernovae, classical novae, and X-ray bursts, are dominated by thermonuclear runaway. To model these processes accurately, one must evolve nuclear reactions concurrently with hydrodynamics. We…