| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
|
|
|
|
Microscopic Phase-Field Study of the Occupancy Probability of α Sublattices Involving Coordination Environmental Difference for D022−Ni3V |
| ZHANG Jing**, CHEN Zheng, ZHUANG Hou-Chuan, LU Yan-Li |
State Key Laboratory of Solidification Processing, School of Material Science and Engineering, Northwestern Polytechnical University, Xi'an 710072
|
|
| Cite this article: |
|
ZHUANG Hou-Chuan, ZHANG Jing, LU Yan-Li et al 2012 Chin. Phys. Lett. 29 026103 |
|
|
|
|
Abstract The nickel sites of a D022−Ni3V phase are subdivided into Ni1 and Ni2 sublattices according to their coordination sphere difference. The occupancy probability (OP) differences influenced by the coordination sphere are interpreted using the microscopic phase field model. The OP of regular atoms (NiNi1, NiNi2), antisite defects (VNi1, VNi2), and substitutional defects (AlNi2, AlNi1) have strong site preferences, as well as temperature−dependence features, on both sublattices. These features involve both redistribution of components, and phase transition from D022 to L12.
|
| Keywords:
61.72.J-
61.50.Ah
81.30.Mh
71.15.Pd
|
|
|
Received: 14 April 2011
Published: 11 March 2012
|
|
| PACS: |
61.72.J-
|
(Point defects and defect clusters)
|
| |
61.50.Ah
|
(Theory of crystal structure, crystal symmetry; calculations and modeling)
|
| |
81.30.Mh
|
(Solid-phase precipitation)
|
| |
71.15.Pd
|
(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
|
|
|
|
|
|
[1] Bendersky L A, Biancaniello F S and Williams M E 1994 J. Mater. Res. 9 3068
[2] Pareige C and Blavette D 2001 Scripta Mater. 44 243
[3] Poduri R and Chen L Q 1998 Acta Mater. 46 1719
[4] Chen G L and Lin J P 1999 Ordered Intermetallic of Structural Materials (Beijing, Metallurgical Industry Press) p 32
[5] Cabet E, Pasturel A, Ducastelle F and Loiseau A 1996 Phys. Rev. Lett. 76 3140
[6] Singh J B, Sundararaman M, Mukhopadhyay P and Prabhu N 2003 Scripta Mater. 48 261
[7] Prakash U, Buckley R A, Jones H and Sellars C M 1992 J. Mater. Sci. 27 2001
[8] Xu J H, Oguchi T and Freeman A 1987 J. Phys. Rev. B 36 4186
[9] Yamaguchi M and Umakoshi Y 1990 Prog. Mater. Sci. 34 1
[10] Khachaturyan A G, Semenovskaya S and Tsakalakos T 1995 Phys. Rev. B 52 15909
[11] Khachaturyan A G 1983 Theory of Structural Transformation in Solid (New York: Wiley) p 408
[12] Chen L Q 1993 Scripta Metall Mater. 39 683
[13] Chen L Q and Khachaturyan A G 1991 Acta. Metal. Mater. 39 2533
[14] Fu C L and Painter G S 1997 Acta. Mater. 45 481
[15] Chen L Q 1994 Acta Metall Mater. 42 3503
[16] Wang Y, Banerjee D, Su C C and Khachaturyan A G 1998 Acta Mater. 46 2983
[17] Li D Y and Chen L Q 1997 Scripta Mater. 37 1271
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
