Ab Initio Calculations for Search Optimization of Multicomponent Alloy Configurations

Ab Initio Calculations for Search Optimization of Multicomponent Alloy Configurations

Bibliographic Details
Parent link:AIP Conference Proceedings
Vol. 1783 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016.— 2016.— [020165, 4 p.]
Main Author: Nikonov A. Yu.
Corporate Author: Национальный исследовательский Томский политехнический университет (ТПУ)
Other Authors: Zharmukhambetova A. M., Dmitriev A. I. Andrey Ivanovich
Summary:Title screen
The paper presents an algorithm for optimization of searching configurations of multicomponent alloys that have a predetermined value of physical and mechanical properties. Values obtained by Exact MT Orbitals (EMTO) were used for calculations. The algorithm efficiency is demonstrated on an example of estimating the bulk modulus of a threecomponent alloy based on Ti, Nb and Zr. It is shown that the use of the algorithm can in some cases reduce the amount of calculations by 10 times or more.
Режим доступа: по договору с организацией-держателем ресурса
Language:English
Published: 2016
Subjects:
электронный ресурс
труды учёных ТПУ
расчеты
поисковая оптимизация
сплавы
конфигурации
физико-механические свойства
алгоритмы
кристаллические материалы
прочность
пластичность
напряженно-деформированные состояния
Online Access:http://dx.doi.org/10.1063/1.4966458
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=652737

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