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氢在沉淀强化合金γ/γ′间占位的第一原理计算
First Principles Calculation of Hydrogen Occupation between γ-γ′ in Precipitate Strengthened Austenite Alloys
查看参考文献11篇
文摘
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本文针对沉淀强化奥氏体合金氢脆通常较单相奥氏体严重这一点,采用离散变分方法对氢在沉淀强化奥氏体合金中γ基体与γ′相之间占位进行了第一原理计算和分析。结果表明,氢原子在一般沉淀强化合金的γ与γ′相错配度范围内不会偏聚在相界,而是倾向进入基体中,错配度的微小变化对氢的占位没有影响。只有错配度大于3.7%左右,相当于有一定应变的条件下,氢才会有进入γ′相的倾向。在形变过程中进入γ′相的氢使得γ基体与γ′相界面原子成键的方向性增强,从而影响合金的氢脆性能。 |
其他语种文摘
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Discrete Variational Method (DVM) was adopted in the first principles calculation of hydrogen occupation between 7 and y' in precipitate strengthened austenite alloys to analysis the mechanism of hydrogen embrittlement of them. It is indicated that hydrogen inclined to enter the octahedral interstitial site in the 7 matrix instead of interstitial site of y' phase or 7-7' boundary when the misfit of 7/7' is in the common range of the 7' strengthened austenite alloys and small variation of the misfit will not change the situation. Contrariwise, hydrogen is inclined to enter 7' phase when there is strain to some extent, corresponding to the misfit is higher than that of 3 .7% or the size of 7' phase is big enough. Hydrogen in the 7' phase causes the localization and asymmetry of the bond between metal atoms, which may induce the slip localization of 7' phase and thus cause hydrogen embrittlement of alloys. |
来源
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材料科学与工程学报
,2005,23(5):483-486 【核心库】
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关键词
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氢
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第一原理计算
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错配度
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沉淀强化奥氏体合金
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地址
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中国科学院金属研究所, 辽宁, 沈阳, 110016
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语种
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中文 |
文献类型
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研究性论文 |
ISSN
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1673-2812 |
学科
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金属学与金属工艺 |
基金
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国家自然科学基金资助项目
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文献收藏号
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CSCD:2034842
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参考文献 共
11
共1页
|
1.
E. Lunarska. Lunarska.
International Journal of Hydrogen Energy,1997,22:131-139
|
被引
1
次
|
|
|
|
2.
A.W. Thompson. W.
Acta Metall.,1982,30:2197
|
被引
8
次
|
|
|
|
3.
West A. J.
Hydrogen Effectsin Metals,1981:607
|
被引
1
次
|
|
|
|
4.
A.W. Thompson. W.
Metallurgical Transactions A,1975,6:1431-1443
|
被引
11
次
|
|
|
|
5.
M.I. Baskes. I.
Sandia National Lab.Livermore CA
|
被引
1
次
|
|
|
|
6.
N. R. Moody. R.
Res Mechanica,1990,30:143-206
|
被引
2
次
|
|
|
|
7.
A. Gonis. Gonis.
Theoretical materials sciences,2000
|
被引
1
次
|
|
|
|
8.
D.E.Jiang. E.
Acta Materialia,2004,52:4801-4807
|
被引
1
次
|
|
|
|
9.
S. Serebrinsky. Serebrinsky.
Journal of the Mechanics and Physics of Solids,2004,52:2403-2430
|
被引
8
次
|
|
|
|
10.
U.Von Barth. Von Barth.
J. Phys.,1972,5:1629
|
被引
1
次
|
|
|
|
11.
. Chemical composition measurements of a nickel-base superalloy by atom probe field ion microscopy[J].
Microstructure and Processing A 203,1995,15:69-74
|
被引
1
次
|
|
|
|
|
|