Microscopic Energy Current Field with Multi--body Force in Hamiltonian System

TL;DR

This paper introduces a novel method to localize multi-body interaction energy in microscopic energy current fields within Hamiltonian systems, enabling better analysis of multi-body forces in molecular dynamics.

Contribution

A new approach to determine localization of multi-body interaction energy in microscopic energy current fields for Hamiltonian systems.

Findings

Successfully localizes multi-body interaction energy

Derives energy current between particles using multi-body forces

Enhances understanding of energy transfer in molecular dynamics

Abstract

Microscopic energy current can be derived from microscopic energy field localized only in particle positions. If the energy current is applied to classical molecular dynamics, it is expected to become a new information. However, multi-body force except two-body force causes obscurity when multi-body interaction energy is localized. In the present study, our new method enables to determine the localization of the multi--body interaction energy. We obtain the energy current between particles by the law of the multi--body force corresponding to Newton's third law on two--body force.