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  4. № 20 2018
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Evaluation of metals and hEAs hardness on the basis of physical parameters calculated from the first principles

A.Khachatrian
 

I. M. Frantsevich Institute for Problems of Materials Science of the NAS of Ukraine, Omeliana Pritsaka str.,3, Kyiv, 03142, Ukraine
Mathematical Models and Computing Experiment in Material Science - Kiev: Frantsevich Institute for Problems of Materials Science NASU, 2018, #20
http://www.materials.kiev.ua/article/2745

Abstract

A hybrid method is proposed for calculating the hardness of metals (transition metals, taking into account the valency variable) and the hEAs, which represents a combination of first-principle methods with a model based on the rule of mixtures, but taking into account paired interaction.


HEAS, INTERATOMIC INTERACTION, PSEUDOPOTENTIAL

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