| 以无序合金的实验数据为基础的Au3Cu,AuCu3,AuCuI和AuCuII的特征原子占据图（英文） |
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| 引用本文： | 谢佑卿,李艳芬,刘心笔,李晓波,彭红建,聂耀庄. 以无序合金的实验数据为基础的Au3Cu,AuCu3,AuCuI和AuCuII的特征原子占据图（英文）[J]. 中国有色金属学会会刊, 2011, 0(5): 1092-1104 |
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| 作者姓名： | 谢佑卿 李艳芬 刘心笔 李晓波 彭红建 聂耀庄 |
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| 作者单位： | 中南大学材料科学与工程学院;中南大学粉末冶金研究院;中南大学粉末冶金国家重点实验室;湘潭大学机械工程学院; |
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| 基金项目： | Project (50711181) supported by the National Natural Science Foundation of China; Project (2009FJ4016) supported by Natural Science Foundation of Hunan Province,China |
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| 摘 要： | 根据无序Au1_xCux合金的实验生成热和晶格常数得到只考虑近邻原子组态的特征原子的势能、体积和电子结构,计算L12-Au3Cu,L12-AuCu3和L10-AuCu化合物的特征原子占据(CAO)图、电子结构、能量和体积性质。Johasson-Linde(J-L)模型的CAO图表明,AuCuI→AuCuII转变是一个放热且体积缩小的反应,但正好与实验现象相反。根据Guymont-Feutelais-Legendre(G-F-L)模型的CAO图,AuCuII晶胞由两个周期反相(PAD)的AuCuI区域和两个PAD边界区域组成;从G-F-L模型的CAO图得出的公式可用来计算PAD AuCuI区域和PAD边界区域的能量性质、体积性质和有序度及AuCuII相的平均性质,计算结果与实验现象相吻合。
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| 关 键 词： | Au-Cu系 金属间化合物 电子结构 晶体结构 特征原子占据图 |
Characteristic atom occupation patterns of Au_3Cu,AuCu_3,AuCuI and AuCuII based on experimental data of disordered alloys |
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| XIE You-qing,,,LI Yan-fen,LIU Xin-bi,LI Xiao-bo,PENG Hong-jian,NIE Yao-zhuang, .School of Materials Science , Engineering,Central South University,Changsha ,China,.Powder Metallurgy Research Institute,.State Key Laboratory for Powder Metallurgy,.College of Mechanical Engineering,Xiangtan University,Xiangtan. Characteristic atom occupation patterns of Au_3Cu,AuCu_3,AuCuI and AuCuII based on experimental data of disordered alloys[J]. Transactions of Nonferrous Metals Society of China, 2011, 0(5): 1092-1104 |
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| Authors: | XIE You-qing LI Yan-fen LIU Xin-bi LI Xiao-bo PENG Hong-jian NIE Yao-zhuang .School of Materials Science Engineering Central South University Changsha China .Powder Metallurgy Research Institute .State Key Laboratory for Powder Metallurgy .College of Mechanical Engineering Xiangtan University Xiangtan |
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| Affiliation: | XIE You-qing1,2,3,LI Yan-fen1,LIU Xin-bi1,LI Xiao-bo4,PENG Hong-jian1,NIE Yao-zhuang1,3 1.School of Materials Science and Engineering,Central South University,Changsha 410083,China,2.Powder Metallurgy Research Institute,3.State Key Laboratory for Powder Metallurgy,4.College of Mechanical Engineering,Xiangtan University,Xiangtan 411105 |
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| Abstract: | |
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| Keywords: | Au-Cu system intermetallics electronic structure crystalline structure characteristic atom occupation pattern |
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