Transactions of Nonferrous Metals Society of China The Chinese Journal of Nonferrous Metals

您目前所在的位置:首页 - 期刊简介 - 详细页面

中国有色金属学报(英文版)

Transactions of Nonferrous Metals Society of China

Vol. 21    No. 5    May 2011

[PDF Download]        

    

Characteristic atom occupation patterns of Au3Cu, AuCu3, AuCuI and AuCuII based on experimental data of disordered alloys
XIE You-qing1, 2, 3, LI Yan-fen1, 2, 3, LIU Xin-bi1, 2, 3, LI Xiao-bo4, PENG Hong-jian1, 2, 3, NIE Yao-zhuang1, 2, 3

1. School of Materials Science and Engineering, Central South University, Changsha 410083, China;
2. Powder Metallurgy Research Institute, Central South University, Changsha 410083, China;
3. State Key Laboratory for Powder Metallurgy, Central South University, Changsha 410083, China;
4. College of Mechanical Engineering, Xiangtan University, Xiangtan 411105, China

Abstract:The potential energies, volumes and electronic structures of characteristic atoms coordinated by neighboring configurations were obtained from the experimental heats of formation and lattice parameters of disordered Au1−xCux alloys. From characteristic atom occupation (CAO) patterns of L12-Au3Cu, L12-AuCu3 and L10-AuCu compounds, their electronic structures, volumetric and energetic properties were calculated. The CAO pattern of Johasson−Linde(J−L) model shows that the transition AuCuI→AuCuII is an exothermic and volume contraction reaction, which is opposite from experimental phenomena. According to CAO pattern of Guymont−Feutelais−Legendre(G−F−L) model, the AuCuII cell consists of two periodic antidirection (PAD) AuCuI regions and two PAD boundary regions. The equations derived from CAO pattern of G−F−L model can be used to calculate energetic properties, volumetric properties and ordering degrees of the PAD AuCuI region and PAD boundary region, as well as corresponding average properties of the AuCuII phase. The results are consistent with experimental phenomena.

 

Key words: Au-Cu system; intermetallics; electronic structure; crystalline structure; characteristic atom occupation pattern

ISSN 1004-0609
CN 43-1238/TG
CODEN: ZYJXFK

ISSN 1003-6326
CN 43-1239/TG
CODEN: TNMCEW

主管:中国科学技术协会 主办:中国有色金属学会 承办:中南大学
湘ICP备09001153号 版权所有:《中国有色金属学报》编辑部
------------------------------------------------------------------------------------------
地 址:湖南省长沙市岳麓山中南大学内 邮编:410083
电 话:0731-88876765,88877197,88830410   传真:0731-88877197   电子邮箱:f_ysxb@163.com