| NiAl化合物表面成分的准标度关系与偏离放大效应 |
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| 引用本文： | 郑晖,申亮,白彬,孙博.NiAl化合物表面成分的准标度关系与偏离放大效应[J].物理学报,2012,61(1):16104-016104. |
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| 作者姓名： | 郑晖 申亮 白彬 孙博 |
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| 作者单位： | 1. 北京应用物理与计算数学研究所, 北京 100094;
2. 中国工程物理研究院表面物理与化学重点实验室, 绵阳 621907 |
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| 基金项目： | 国家自然科学基金(批准号：10575124)和中国工程物理研究院科技发展基金(批准号：2008B0301033, 2009A0301019)资助的课题. |
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| 摘 要： | 研究金属间化合物NiAl的表面结构和成分对于理解其抗氧化机制、断裂过程等非常重要. 采用巨正则系综Monte Carlo方法对NiAl内部和(110)表面层的原子分布、点缺陷浓度、长程序参数等进行了模拟计算,发现1273 K温度的NiAl化合物在富Al段表面层和内部成分比例之间存在准标度关系,合金成分比例对化学计量比的偏离在表面层被放大,放大系数超过30倍.
关键词：
金属间化合物
NiAl
表面
准标度关系
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| 关 键 词： | 金属间化合物 NiAl 表面 准标度关系 |
| 收稿时间： | 2010-11-21 |
| 修稿时间： | 4/4/2011 12:00:00 AM |
Quasi-exponentid relationship and amplification effects of surface component for NiAl compound |
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| Zheng Hui,Shen Liang,Bai Bin and Sun Bo.Quasi-exponentid relationship and amplification effects of surface component for NiAl compound[J].Acta Physica Sinica,2012,61(1):16104-016104. |
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| Authors: | Zheng Hui Shen Liang Bai Bin and Sun Bo |
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| Institution: | Institute of Applied Physics and Computational Mathematics, Beijing 100094, China;National Key Laboratory for Surface Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621907, China;National Key Laboratory for Surface Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621907, China;Institute of Applied Physics and Computational Mathematics, Beijing 100094, China |
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| Abstract: | A detailed knowledge of the structure and composition of NiAl compound is essential for understanding its oxidation resistance and the fracture process. The atomic distribution, concentration and long range order parameters in interior and (110) surface layer of NiAl compound at 1273 K are calculated by the grand canonical Monte Carlo simulation method. We find a quasi-exponentid relationship between the component deviations from the stoichiometry in surface layer and interior of NiAl in Al-rich region. It is observed that the deviation of component from stoichiometry in surface layer is over 30 times greater than that in interior. |
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| Keywords: | intermetallic compounds NiAl surface quasi-exponent relationship |
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