Ab Initio Calculations for Search Optimization of Multicomponent Alloy Configurations; AIP Conference Proceedings; Vol. 1783 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016
| Parent link: | AIP Conference Proceedings Vol. 1783 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016.— 2016.— [020165, 4 p.] |
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| その他の著者: | , |
| 要約: | 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 |
| 言語: | 英語 |
| 出版事項: |
2016
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| オンライン･アクセス: | http://dx.doi.org/10.1063/1.4966458 |
| フォーマット: | 電子媒体 図書の章 |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=652737 |
| 要約: | 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 |
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| DOI: | 10.1063/1.4966458 |