Ab-initio Lattice Instability Analysis on Ni and Ni3Al Single Crystals
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- YASHIRO Kisaragi
- Faculty of Engineering, Kobe University
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- YAMAGAMI Katsuya
- 神戸大学大学院自然科学研究科
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- KUBO Keisuke
- 神戸大学大学院自然科学研究科
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- TOMITA Yoshihiro
- 神戸大学大学院自然科学研究科
Bibliographic Information
- Other Title
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- NiおよびNi3Al単結晶の第一原理格子不安定解析
- Ni オヨビ Ni3Alタンケッショウ ノ ダイイチ ゲンリ ゴウシ フアンテイ カイセキ
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Description
The purpose of the present study is to elucidate the “ideal strength” of the Ni and Ni3AI single crystals, the main compositions of Ni-based superalloy, from the viewpoint of the lattice stability. The unit lattices of Ni and Ni3Al, fcc and L I2 ordered alloy, are subjected to the [001] uniaxial tension/compression and hydrostatic tension/compression by using the Vienna Ab-initio Simulation Package (VASP) with the generalized gradient approximation (GGA) and ultrasoft pseudopotential. The elastic stiffness matrix is numerically evaluated at each point in the applied deformation pass, then the lattice stability is discussed based on the positiveness of the matrix. Both Ni and Ni3Al reaches the Born's stability criteria against the bifurcation to the anisotropic Poisson's contraction in the [001] uniaxial tension, while they do the spinodal criteria against the structural transformation in the [001] uniaxial compression and hydrostatic tension. The hydrostatic compression increases the stability and shows no limit, however, it is also suggested that the spinodal instability appears when the ideal isotropy was broken. The “ideal strength” is evaluated with these stability limits and indicated as “yield curve” on the normal strain-lateral strain or normal stress-lateral stress planes.
Journal
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- TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series A
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TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series A 71 (702), 213-218, 2005
The Japan Society of Mechanical Engineers
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Details 詳細情報について
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- CRID
- 1390282679454211328
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- NII Article ID
- 110004998931
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- NII Book ID
- AN0018742X
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- COI
- 1:CAS:528:DC%2BD2MXjslWksLc%3D
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- ISSN
- 18848338
- 03875008
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- NDL BIB ID
- 7266247
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- Text Lang
- ja
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
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- Abstract License Flag
- Disallowed