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
Source Publication	Journal of Physics-Condensed Matter
ISSN	0953-8984
Volume	25 Issue:8
Abstract	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.
description.department	[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
Keyword	Coherent-potential Approximation Au-cu Alloys Mg Alloys Constants Energy Metals Gold Transition Pressure Model
URL	查看原文
Language	英语
Document Type	期刊论文
Identifier	http://ir.imr.ac.cn/handle/321006/71521
Collection	中国科学院金属研究所
Recommended Citation 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).

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