Molecular Dynamics of Hard Parallel Squares

C. Carlier and H. L. Frisch
Phys. Rev. A 6, 1153 – Published 1 September 1972
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Abstract

Molecular dynamics of hard parallel sq´uares subject to periodic boundary conditions appear to lead to a first-order phase transition with a van der Waals loop (at least for a system of 400 particles). The density change across the transition is small (about 2%). Results on the self-diffusion and velocity autocorrelation function ρ(t) for 400 and 900 particles are also presented. ρ(t) decays exponentially for short times, and at least in the intermediate fluid density, decays at t1 for long times t. In the solidlike region anticorrelating effects predominate.

  • Received 29 February 1972

DOI:https://doi.org/10.1103/PhysRevA.6.1153

©1972 American Physical Society

Authors & Affiliations

C. Carlier and H. L. Frisch

  • State University of New York, Albany, New York 12203

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Issue

Vol. 6, Iss. 3 — September 1972

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