Configurational temperature for systems with constraints

Lue, L. and Evans, D. J. (2000) Configurational temperature for systems with constraints. Physical Review E: Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 62 (4). pp. 4764-4768. ISSN 2470-0053 (http://dx.doi.org/10.1103/PhysRevE.62.4764)

Abstract

A general method is developed for constructing configurational expressions for the temperature of systems with constraints. As an example, this method is applied to molecular systems with bonding constraints, and an explicit formula for the temperature, in terms of only the configurational variables of the system, is derived. This formula is tested against molecular-dynamics simulations for freely jointed Lennard-Jones 8-mer chains and Monte Carlo simulations for a system of diatomic Lennard-Jones molecules.

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• Item metadata

  Item type:	Article
  ID code:	27961
  Dates:	Date Event October 2000 Published
  Notes:	English Article A 365XY PHYS REV E
  Subjects:	Science > Chemistry > Physical and theoretical chemistry Science > Physics
  Department:	Faculty of Engineering > Chemical and Process Engineering
  Depositing user:	Dr Leo Lue
  Date deposited:	13 Oct 2010 19:32
  Last modified:	08 Apr 2024 18:05
  URI:	https://strathprints.strath.ac.uk/id/eprint/27961