| 模拟锆(Zr) 的基体效应对Ni3Al-x atoms % Zr晶界内聚性的影响(英文) |
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| 引用本文： | 郑里平,李斗星,张秀荣.模拟锆(Zr) 的基体效应对Ni3Al-x atoms % Zr晶界内聚性的影响(英文)[J].原子核物理评论,2005,22(1):106-109. |
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| 作者姓名： | 郑里平 李斗星 张秀荣 |
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| 作者单位： | 1 中国科学院上海应用物理研究所, 上海 201800; 2 中国科学院国际材料物理中心, 辽宁 沈阳 110016;3 中国科学院金属研究所,沈阳材料科学国家(联合)实验室, 辽宁 沈阳 110016;4 华东船舶工业学院,江苏 镇江 212003 |
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| 基金项目： | 国家自然科学基金资助项目 (50271074，90206044)~~ |
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| 摘 要： | 利用双粒子模型研究微量元素锆(Zr)的基体效应对Ni3Al x atoms % Zr晶界内聚性的影响. 模型显示， x\锆(Zr)的基体浓度\]从0.1增加到0.5， 在晶界Zr富集是增加的； Ni富集和Al贫乏在x=0.3时趋于最大. 模型还显示， Ni3Al x atoms % Zr晶界的内聚性在x=0.3时为最佳.
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| 关 键 词： | 晶界浓度 偏析子与诱发子 基体效应 |
| 收稿时间： | 1900-01-01 |
Simulations of Bulk Effects of Zr on Cohesion of Ni3Al Grain Boundary |
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| ZHENG Li-ping,LI Dou-Xing,ZHANG Xiu-rong.Simulations of Bulk Effects of Zr on Cohesion of Ni3Al Grain Boundary[J].Nuclear Physics Review,2005,22(1):106-109. |
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| Authors: | ZHENG Li-ping LI Dou-Xing ZHANG Xiu-rong |
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| Affiliation: | 1 Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China; 2 International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110016, China; 3 Shenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China; 4 Departement of Mathematics and Physics, East China Shipbuilding Institute, Zhenjiang, 212003, Jiangsu, China |
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| Abstract: | Monte Carlo simulation with the energetics described by the embedded atom method has been employed to calculate dependence of the grain boundary cohesion on the Zr bulk atom concentration, for the Ni3Al x % Zr (100%Ni\\100%Ni)\001\]/Σ5(210)/36.87° symmetric tilt grain boundary, at the equilibrium. Calculations show that when x (the Zr bulk atom concentration) increases from 0.1 to 0.5, the Zr enrichment increases, both the Ni enrichment and the Al depletion maximizes at x=0.3. The calculations also show the best cohesion of the grain boundary at x=0.3. |
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| Keywords: | grain boundary concentration inducing and segregating specie bulk effect |
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