1811 Ab-initio Lattice Instability Analysis on Ni and Ni_3Al Single Crystals under Pure Shear
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- KUBO Keisuke
- Graduate School of Science and Technology, Kobe University
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- YASHIRO Kisaragi
- Graduate School of Science and Technology, Kobe University
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- TOMITA Yoshihiro
- Graduate School of Science and Technology, Kobe University
Bibliographic Information
- Other Title
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- 1811 NiおよびNi_3Al単結晶の第一原理格子不安定解析 : 単純せん断(J06-2 マイクロ・ナノ構造と特性評価,J06 計算マイクロ・ナノメカニクス)
Abstract
The "ideal strengths" of Ni and Ni_3Al single crystals under [100] (001) shear are discussed from the viewpoint of the lattice instability. Change in the elastic stiffness coefficient under shear is calculated by using the Vienna Ab-initio Simulation Package (VASP) with the generalized gradient approximation (GGA) and ultrasoft psudopotentials, and stability of lattices are evaluated on the basis of their positiveness. Both Ni and Ni_3Al become unstable at the strain of 0.21. We added these results to the "yield curve" of Ni and Ni_3Al against uniaxial tension/compression and hydrostatic tension, proposed in our previous study.
Journal
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- The proceedings of the JSME annual meeting
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The proceedings of the JSME annual meeting 2005.6 (0), 219-220, 2005
The Japan Society of Mechanical Engineers
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Keywords
Details 詳細情報について
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- CRID
- 1390001206061604864
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- NII Article ID
- 110006191170
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- ISSN
- 24331325
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- Text Lang
- ja
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- Data Source
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- JaLC
- Crossref
- CiNii Articles
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- Abstract License Flag
- Disallowed