The effect of long-range order on the elastic properties of Cu3Au

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	The effect of long-range order on the elastic properties of Cu3Au
	G. S. Wang; E. K. Delczeg-Czirjak; Q. M. Hu; K. Kokko; B. Johansson; L. Vitos
	2013
发表期刊	Journal of Physics-Condensed Matter
ISSN	0953-8984
卷号	25 期号:8
摘要	Ab initio calculations, based on the exact muffin-tin orbitals method are used to determine the elastic properties of Cu-Au alloys with Au/Cu ratio 1/3. The compositional disorder is treated within the coherent potential approximation. The lattice parameters and single-crystal elastic constants are calculated for different partially ordered structures ranging from the fully ordered L1(2) to the random face centered cubic lattice. It is shown that the theoretical elastic constants follow a clear trend with the degree of chemical order: namely, C-11 and C-12 decrease, whereas C-44 remains nearly constant with increasing disorder. The present results are in line with the experimental findings that the impact of the chemical ordering on the fundamental elastic parameters is close to the resolution of the available experimental and theoretical tools.
部门归属	[wang, gui-sheng ; delczeg-czirjak, erna krisztina ; johansson, borje ; vitos, levente] royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden. [delczeg-czirjak, erna krisztina ; johansson, borje ; vitos, levente] uppsala univ, div mat theory, dept phys & astron, se-75120 uppsala, sweden. [hu, qing-miao] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [kokko, kalevi] univ turku, dept phys & astron, fi-20014 turku, finland. [kokko, kalevi] turku univ, ctr mat & surfaces matsurf, turku, finland. [vitos, levente] wigner res ctr phys, res inst solid state phys & opt, h-1525 budapest, hungary. ; wang, gs (reprint author), royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden. ; guisheng@kth.se
关键词	Coherent-potential Approximation Au-cu Alloys Mg Alloys Constants Energy Metals Gold Transition Pressure Model
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71521
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	G. S. Wang,E. K. Delczeg-Czirjak,Q. M. Hu,et al. The effect of long-range order on the elastic properties of Cu3Au[J]. Journal of Physics-Condensed Matter,2013,25(8).
APA	G. S. Wang,E. K. Delczeg-Czirjak,Q. M. Hu,K. Kokko,B. Johansson,&L. Vitos.(2013).The effect of long-range order on the elastic properties of Cu3Au.Journal of Physics-Condensed Matter,25(8).
MLA	G. S. Wang,et al."The effect of long-range order on the elastic properties of Cu3Au".Journal of Physics-Condensed Matter 25.8(2013).