Derivation of speed scaling factor in molecular dynamics method

Expand
  • School of Physics and Information Technology, Shaanxi Normal University, Xi'an, Shaanxi 710119, China

Received date: 2021-04-23

  Revised date: 2021-07-08

  Online published: 2022-04-21

Abstract

In the case of using the molecular dynamics method to simulate the micro-canonical ensemble, taking the monoatomic particle system as an example, the mathematical expression of the scaling factor under the International System of Units is given. Then it explains how to rescale the physical quantity to obtain the dimensionless formula, which makes the calculation more convenient in the simulation. The physical meaning of the time unit in the dimensionless operation is given. Finally, the mathematical expressions commonly used in textbooks for the speed scaling factor of the balance process are derived.

Cite this article

QI Nan, WANG Sheng-jun . Derivation of speed scaling factor in molecular dynamics method[J]. College Physics, 2022 , 41(4) : 61 . DOI: 10.16854/j.cnki.1000-0712.210204

Outlines

/