The Application of Method of Exact MT-orbitals for Modelling of Thermodynamic and Mechanical Properties in Pure Components of Ti- and Zr-Based Alloys

The Application of Method of Exact MT-orbitals for Modelling of Thermodynamic and Mechanical Properties in Pure Components of Ti- and Zr-Based Alloys

The exact MT orbitals (EMTO) method is described, and its applicability for modelling of thermodynamical and mechanical properties of pure components of Ti- and Zr-based alloys is investigated. Calculations of the total energies of Ti, Zr, Nb, V, Mo, and Al in face-centred cubic (f.c.c.), body-centr...

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Bibliographic Details
Main Author: I. A. Abrikosov, A. Yu. Nikonov, A. V. Ponomareva, A. I. Dmitriev, S. A. Barannikova
Format: Article
Language:English
Published: G. V. Kurdyumov Institute for Metal Physics of the N.A.S. of Ukraine 2013-12-01
Series:Успехи физики металлов
Online Access:https://doi.org/10.15407/ufm.14.04.319

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