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Физика твердого тела, 2020, том 62, выпуск 1, страница 70
(Mi ftt8520)
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Эта публикация цитируется в 3 научных статьях (всего в 3 статьях)
Металлы
Modeling the stretch behavior of the single-crystal Ni–Al alloy and its molecular dynamics simulation
Javad Alizadeh, Masoud Panjepour, Mehdi Ahmadian Department of Materials Engineering, Isfahan University of Technology,
Isfahan, Iran
Аннотация:
Molecular dynamics simulation was employed in this study to investigate the atomistic mechanisms involved in the Ni–Al alloy homogeneous deformation and the mechanical properties of single-crystal Ni-Al under periodic boundary conditions (until the fracture begins). It is the objective of the present study to develop a simple mathematical model for calculating stress similar to molecular dynamics simulation while the effects of the components of the interatomic potential energy function and the different neighboring atomic shells are also determined on the total stress in the system. The model results show that the sixth nearest neighboring shell has the greatest effect on the stress-strain curve of the Ni–Al single crystal. The associated calculations in the model also show that, in the absence of the pair interaction type of the sixth nearest neighboring shell, the behavior of the material approaches a linear elastic one. Keywords: mathematical modeling, molecular dynamics simulation, single crystal, intermetallic material
Ключевые слова:
mathematical modeling, molecular dynamics simulation, single crystal, intermetallic material.
Поступила в редакцию: 05.05.2019 Исправленный вариант: 05.05.2019 Принята в печать: 24.07.2019
Образец цитирования:
Javad Alizadeh, Masoud Panjepour, Mehdi Ahmadian, “Modeling the stretch behavior of the single-crystal Ni–Al alloy and its molecular dynamics simulation”, Физика твердого тела, 62:1 (2020), 70; Phys. Solid State, 62:1 (2020), 83–91
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/ftt8520 https://www.mathnet.ru/rus/ftt/v62/i1/p70
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Страница аннотации: | 40 | PDF полного текста: | 8 |
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