Determination from First Principles of The Melting Point
and Temperature Dependence of the Theoretical Strength
Volume 3 - Issue 3
Zakarian D* and Khachatrian A
-
Author Information
Open or Close
- 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
Full Text
PDF
To view the Full Article Peer-reviewed Article PDF
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
Abstract|
Introduction|
References|