Possible scenario of the melting of metals
M. I. Katsnelson (1), A. V. Trefilov (2) ((1) Institute of Metal, Physics (2) Russian Science Center Kurchatov Institute)

TL;DR
This paper proposes a microscopic model for the melting process of metals, analyzing atomic displacements and free volume formation to better understand the transition from solid to liquid.
Contribution
It introduces a new microscopic perspective on melting, linking atomic displacements and pseudonuclei formation with classical melting criteria.
Findings
Evaluation of atomic displacement magnitudes at melting
Analysis of pseudonuclei formation in crystals
Discussion of free volume mechanisms in melting
Abstract
A microscopic picture of the ``preparation'' of a crystal to the transition to liquid state at the approach to melting temperature is proposed. Basing on simple crystallogeometric considerations and the analysis of the computational results for corresponding anharmonic characteristics an evaluation is given for the magnitude of atomic displacements leading to the appearance of close packed Bernal pseudonuclei in the solid phase. A physical meaning of the classical Lindeman criterion and the mechanisms of the formation of free volume in the crystal phase are discussed.
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Taxonomy
Topicsnanoparticles nucleation surface interactions · Material Dynamics and Properties · Chemical Thermodynamics and Molecular Structure
