Related papers: Energy-momentum conserving integration schemes for…
The rotating-wave approximation to light-matter interactions is widely used in the quantum electrodynamics Hamiltonian; however, its validity has long been a matter of debate. In this article, we explore the impact of the rotating-wave…
A methodology is proposed for formulating dynamic equations in thermo-piezoelectric and dissipative media from the first principle of energy conservation. The results are in agreement with those from Hamiltonian principle. Our formulations…
This paper presents a unified optimization framework for phase change material (PCM) based cooling systems. Thermal management is critical in applications such as photovoltaic (PV) modules, battery packs, and power electronics, where…
Particle-in-cell (PIC) plasma simulations are a productive and valued tool for the study of nonlinear plasma phenomena, yet there are basic questions about the simulation methods themselves that remain unanswered. Here we study one such…
We consider particle systems described by moments of a phase-space density and propose a realizability-preserving numerical method to evolve a spectral two-moment model for particles interacting with a background fluid moving with…
Precise understanding of the dynamics of trapped particles is crucial for nascent quantum technologies, including atomic clocks and quantum simulators. Here we present a framework to systematically include quantum effects arising from the…
We introduce energy-preserving integrators for nonholonomic mechanical systems. We will see that the nonholonomic dynamics is completely determined by a triple $({\mathcal D}^*, \Pi, \mathcal{H})$, where ${\mathcal D}^*$ is the dual of the…
Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to…
We report recent progress on the phase space formulation of quantum mechanics with coordinate-momentum variables, focusing more on new theory of (weighted) constraint coordinate-momentum phase space for discrete-variable quantum systems.…
We analyze dynamical consequences of a conjecture that there exists a fundamental (indivisible) quant of time. In particular we study the problem of discrete energy levels of hydrogen atom. We are able to reconstruct potential which in…
Common time-explicit numerical methods for kinetic simulations of plasmas in the low-collisions limit fall into two classes of algorithms: momentum conserving and energy conserving. Each has certain drawbacks. The PIC algorithm does not…
In this paper, a class of arbitrarily high-order linear momentum-preserving and energy-preserving schemes are proposed, respectively, for solving the regularized long-wave equation. For the momentum-preserving scheme, the key idea is based…
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…
Energy functions for pure and heterogenous systems are one of the backbones for molecular simulation of condensed phase systems. With the advent of machine learned potential energy surfaces (ML-PESs) a new era has started. Statistical…
We investigate the energy-momentum balance in the perforating collision of a point particle with an infinitely thin planar domain wall within the linearized gravity in arbitrary dimensions. Since the metric of the wall increases with…
We have obtained an electromagnetic PIC (EM-PIC) algorithm based on time-space-extended particle in cell model. In this model particles are shaped objects extended over time and space around Lagrangian markers. Sources carried by these…
This work presents a systematic methodology for describing the transient dynamics of coarse-grained molecular systems inferred from all-atom simulated data. We suggest Langevin-type dynamics where the coarse-grained interaction potential…
The earliest molecular dynamics simulations relied on solving the Newtonian or equivalently the Hamiltonian equations of motion for a system. While pedagogically very important as the total energy is preserved in these simulations, they…
In this paper, we rigorously analyze the energy, momentum and magnetic moment behaviours of two splitting methods for solving charged-particle dynamics. The near-conservations of these invariants are given for the system under constant…
The short-time dynamics of correlated systems is strongly influenced by initial correlations giving rise to an additional collision integral in the non-Markovian kinetic equation. Exact cancellation of the two integrals is found if the…