相关论文: Angular momentum conservative algorithm of collisi…
The total angular momentum of a close system is a conserved quantity, which should remain constant in time for any excitation experiment once the pumping signal has extinguished. Such conservation, however, is never satisfied in practice in…
A conservative discrete velocity method (DVM) is developed for the ellipsoidal Fokker-Planck (ES-FP) equation in prediction of non-equilibrium neutral gas flows in this paper. The ES-FP collision operator is solved in discrete velocity…
It is customary to assume that the law of conservation of the angular momentum is violated for an asymmetric energy-momentum tensors. This is the reason for criticizing the Minkowski tensor and other asymmetric energy-momentum tensors. In…
Conservation principles are essential to describe and quantify dynamical processes in all areas of physics. Classically, a conservation law holds because the description of reality can be considered independent of an observation…
Quantum-mechanical methods are widely used for understanding molecular interactions throughout biology, chemistry, and materials science. Quantum diffusion Monte Carlo (DMC) and coupled cluster with single, double, and perturbative triple…
We use a novel non-equilibrium algorithm to simulate steady-state fluid transport through a two-dimensional (2D) membrane due to a concentration gradient by molecular dynamics (MD) for the first time. We confirm that, as required by the…
In this work, the Navier-Stokes (NS) solver is combined with the Direct simulation Monte Carlo (DSMC) solver in a direct way, under the wave-particle formulation [J. Comput. Phys. 401, 108977 (2020)]. Different from the classical domain…
An algorithm is proposed for generalized mean curvature flow of closed two-dimensional surfaces, which include inverse mean curvature flow, powers of mean and inverse mean curvature flow, etc. Error estimates are proven for semi- and full…
The equation of the density field of an assembly of macroscopic particles advected by a hydrodynamic flow is derived from the microscopic description of the system. This equation allows to recognize the role and the relative importance of…
We relate the breakdown of equations of states for the mechanical pressure of generic dry active systems to the lack of momentum conservation in such systems. We show how sources and sinks of momentum arise generically close to confining…
We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…
A mean-field model to describe electron transfer processes in ion-molecule collisions at the $\hbar =0$ level is presented and applied to collisions involving water and ammonia molecules. Multicenter model potentials account for the…
Molecules with C_N or C_Nh symmetry can absorb quanta of optical angular momentum to generate twisted excitons with well-defined quasi-angular momenta of their own. Angular momentum is conserved in such interactions at the level of a…
A conservative flux postprocessing algorithm is presented for both steady-state and dynamic flow models. The postprocessed flux is shown to have the same convergence order as the original flux. An arbitrary flux approximation is projected…
This article aims to derive equations of motion for dynamical systems with angular momentum on Finsler geometries. To this end, we apply Souriau's Principle of General Covariance, which is a geometrical framework to derive diffeomorphism…
A simple and reliable algorithm for collision avoidance maneuvers (CAMs), capable of computing impulsive, multi-impulsive, and low-thrust maneuvers, is proposed. The probability of collision (PoC) is approximated by a polynomial of…
A standard way to move particles in a SMC sampler is to apply several steps of a MCMC (Markov chain Monte Carlo) kernel. Unfortunately, it is not clear how many steps need to be performed for optimal performance. In addition, the output of…
Effects of collisions on conservation laws for toroidal plasmas are investigated based on the gyrokinetic field theory. Associating the collisional system with a corresponding collisionless system at a given time such that the two systems…
Coupled trajectory mixed quantum classical (CTMQC) dynamics is a rigorous approach to trajectory-based non-adiabatic dynamics, which has recently seen an improvement to energy conservation via the introduction of the CTMQC-E algorithm.…
Bayesian filtering aims at tracking sequentially a hidden process from an observed one. In particular, sequential Monte Carlo (SMC) techniques propagate in time weighted trajectories which represent the posterior probability density…