Picture of scraped petri dish

Scrape below the surface of Strathprints...

The Strathprints institutional repository is a digital archive of University of Strathclyde research outputs. Explore world class Open Access research by researchers at Strathclyde, a leading technological university.

Explore

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 1063-651X

Full text not available in this repository. (Request a copy from the Strathclyde author)

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.