Local Molecular Temperature

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Local Molecular Temperature

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Title: Local Molecular Temperature
Author: Greenspan, Donald
Abstract: For the study of phase-transition by molecular dynamics, the concept of local temperature is desirable. Such a concept, defined and studied previously for atoms, is extended in this paper to molecules. The fundamental formula involves Planck's constant, not Boltzmann's. Related dynamical calculations are described for approximating, theoretically, the melting points of N2, 02, CO, NO, and CH4, and the results are compared with those available experimentally.
Date: 1989-11

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