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ISSN: 2641-6921

Modern Approaches on Material Science

Mini Review(ISSN: 2641-6921)

Determination from First Principles of The Melting Point and Temperature Dependence of the Theoretical Strength

Volume 3 - Issue 3

Zakarian D* and Khachatrian A

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    • Frantzevich Institute for Problems of Materials Science NAS Ukraine, Kiev

    *Corresponding author: Zakarian D, Frantzevich Institute for Problems of Materials Science NAS, Ukraine


Received:October 26, 2020;   Published: November 19, 2020

DOI: 10.32474/MAMS.2020.03.000165

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Abstract

A method has been developed for calculating the melting temperature of materials from first principles based on the temperature dependence of the theoretical strength. An analytical regularity of the temperature dependence of the theoretical strength of materials (metals, multielement metal alloys, borides, diamond-like covalent and ion-covalent crystals, quasi-binary eutectic systems) is obtained. The resulting ratio allows one to estimate the theoretical strength of materials in the temperature range from zero to the melting point.

Keywords: Theoretical strength; temperature dependence; melting point; pseudopotential method; quasi-harmonic approximation

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