1999/06/29 by Owen G. Jepps, Gary S. Ayton, Gary Ayton +1 · 2 citations
Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Spectroscopy and Quantum Chemical Studies #Theoretical and Computational Physics #cond-mat.stat-mech
paper · pdf · doi:10.1103/physreve.62.4757
21 pages, 2 figures, Revtex. Submitted to Phys. Rev. E
arxiv created 1999/06/29 · openalex publication_date 2000/10/01 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We show that arbitrary phase space vector fields can be used to generate phase functions whose ensemble averages give the thermodynamic temperature. We describe conditions for the validity of these functions in periodic boundary systems and the molecular dynamics (MD) ensemble, and test them with a short-ranged potential MD simulation.