Grain-boundary layering transitions in a model bicrystal

被引：34

作者：

Rickman, J. M. ^{[1
]}

Chan, H. M. ^{[1
]}

Harmer, M. P. ^{[1
]}

Luo, J. ^{[2
]}

机构：

[1] Lehigh Univ, Ctr Adv Mat & Nanotechnol, Dept Mat Sci & Engn, Bethlehem, PA 18015 USA

[2] Univ Calif San Diego, Program Mat Sci & Engn, Dept NanoEngn, San Diego, CA 92093 USA

来源：

SURFACE SCIENCE | 2013年 / 618卷

关键词：

Grain boundary; Simulation; INTERFACIAL PHASE; CU-AG; SEGREGATION; COMPLEXION;

D O I：

10.1016/j.susc.2013.09.004

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We investigate numerically a series of layering transitions associated with grain-boundary segregation in a lattice-gas model of a binary alloy. By examining the dependence of the excess composition on temperature and relative chemical potential, we find a series of first-order layering transitions that depend on the nature of the grain boundary. Diagrams are constructed to illustrate the richness of the phase-like behavior (complexion transitions) and its dependence on grain misorientation and stress. Finally, the connection between the thermodynamics of this prototypical model and recent observations of complexion transitions associated with interfaces in metals and ceramics is explored. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：88 / 93

页数：6

共 30 条

[1]

[Anonymous], 1992, THEORY DISLOCATIONS

[2]

Arfken G. B., 2000, Mathematical Methods for Physicists

[3] Embedded-atom-method effective-pair-interaction study of the structural and thermodynamic properties of Cu-Ni, Cu-Ag, and Au-Ni solid solutions [J].

Asta, M ;

Foiles, SM .

PHYSICAL REVIEW B, 1996, 53 (05) :2389-2404

[4] Nanometer-Thick Equilibrium Films: The Interface Between Thermodynamics and Atomistics [J].

Baram, Mor ;

Chatain, Dominique ;

Kaplan, Wayne D. .

SCIENCE, 2011, 332 (6026) :206-209

[5] GRAIN-BOUNDARY MELTING - A MONTE-CARLO STUDY [J].

BESOLD, G ;

MOURITSEN, OG .

PHYSICAL REVIEW B, 1994, 50 (10) :6573-6576

[6]

Bulatov V.V., 2006, Computer Simulations of Dislocations

[7]

DeFontaine D., 1979, Solid State Physics: Advances in Research and Applications, V34

[8] LATTICE-GAS MODEL OF MULTIPLE LAYER ADSORPTION [J].

DEOLIVEIRA, MJ ;

GRIFFITHS, RB .

SURFACE SCIENCE, 1978, 71 (03) :687-694

[9] ELASTIC ENERGY OF INTERACTION OF A POINT-DEFECT WITH A GRAIN-BOUNDARY [J].

DEYMIER, P ;

JANOT, L ;

LI, J ;

DOBRZYNSKI, L .

PHYSICAL REVIEW B, 1989, 39 (03) :1512-1517

[10] Relating grain-boundary complexion to grain-boundary kinetics I: Calcia-doped alumina [J].

Dillon, Shen J. ;

Harmer, Martin P. .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2008, 91 (07) :2304-2313

← 1 2 3 →