Local Atomic Temperature

Abstract

**Please note that the full text is embargoed** ABSTRACT: For the study of phase-transition by molecular dynamics, the concept of local temperature is desirable. Such a concept is defined and studied in this paper. From computer studies of tetrahedral arrangements of four atoms, the constant which results in the formulation is Planck's constant, not Boltzmann's. Related dynamical calculations reveal that the approach yields good approximations for the melting point of the Noble gases, copper and alpha-iron.