相关论文: Angular momentum conservative algorithm of collisi…

We show that the cross sections for molecule - molecule collisions in the presence of an external field can be computed efficiently using a total angular momentum basis, defined either in the body-fixed frame or in the space-fixed…

Hydrodynamics is a general theoretical framework for describing the long-time large-distance behaviors of various macroscopic physical systems, with its equations based on conservation laws such as energy-momentum conservation and charge…

Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time…

The Discrete Particle Method (DPM) is used to model granular flows down an inclined chute. We observe three major regimes: static piles, steady uniform flows and accelerating flows. For flows over a smooth base, other (quasi-steady) regimes…

The dynamics of non-spherical rigid particles immersed in an axisymmetric random flow is studied analytically. The motion of the particles is described by Jeffery's equation; the random flow is Gaussian and has short correlation time.The…

We examine the angular momentum transport properties of disks composed of macroscopic particles whose velocity dispersions are externally enhanced (``stirred''). Our simple Boltzmann equation model serves as an analogy for unmagnetized…

The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…

We present a Model Predictive Control (MPC) algorithm for energy management in aircraft with hybrid electric propulsion systems consisting of gas turbine and electric motor components. Series and parallel configurations are considered. By…

We demonstrate that, for systems with spin-orbit coupling and an odd number of electrons, the standard fewest switches surface hopping (FSSH) algorithm does not conserve the total linear or angular momentum. This lack of conservation arises…

We introduce a `virtual-move' Monte Carlo (VMMC) algorithm for systems of pairwise-interacting particles. This algorithm facilitates the simulation of particles possessing attractions of short range and arbitrary strength and geometry, an…

We propose and computationally study a method for simultaneously orienting the angular momentum of asymmetric top molecules along: 1) a laboratory-fixed direction; 2) the molecular intermediate moment of inertia axis; 3) the laser field…

Quantum electrodynamics (QED) deals with the relativistic interaction of bosonic gauge fields and fermionic charged particles. In QED, global conservation laws of angular momentum for light-matter interactions are well-known. However, local…

We study one-dimensional elastic collisions of three point masses on a line under vacuum, with no triple collisions. We express momentum conservation in matrix form and analyze the composite map $D=D_{BC}D_{AB}$ and its powers $D^k$, which…

Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry. To address this question, we propose an approach based on a…

First of all, this paper presents some improvements of DSMC method in the form of new schemes and approaches, that, for a wide class of problems, increase performance and reduce the demands on computer resources. The most important…

A model for axisymmetric magnetized accretion flow is proposed. The dominant mechanism of energy dissipation is assumed to be the magnetic diffusivity due to turbulence in the accretion flow. In analogy to the advection-dominated accretion…

The presence of symmetries in a Hamiltonian system usually implies the existence of conservation laws that are represented mathematically in terms of the dynamical preservation of the level sets of a momentum mapping. The symplectic or…

Time-centered, hence second-order, methods for integrating the relativistic momentum of charged particles in an electromagnetic field are derived. A new method is found by averaging the momentum before use in the magnetic rotation term, and…

The use of machine learning to estimate the energy of a group of atoms, and the forces that drive them to more stable configurations, has revolutionized the fields of computational chemistry and materials discovery. In this domain, rigorous…

A mixed mimetic spectral element method is applied to solve the rotating shallow water equations. The mixed method uses the recently developed spectral element histopolation functions, which exactly satisfy the fundamental theorem of…