Comparing grain boundary energies in face-centered cubic metals: Al, Au, Cu and Ni

被引：125

作者：

Holm, Elizabeth A. ^{[1
]}

Olmsted, David L. ^{[1
]}

Foiles, Stephen M. ^{[1
]}

机构：

[1] Sandia Natl Labs, Computat Mat Sci & Engn Dept, Albuquerque, NM 87185 USA

来源：

SCRIPTA MATERIALIA | 2010年 / 63卷 / 09期

关键词：

Grain boundary energy; Grain boundary structure; Misorientation; MD-simulations; INTERATOMIC POTENTIALS;

D O I：

10.1016/j.scriptamat.2010.06.040

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The energy of 388 grain boundaries in Al, Au, Cu and Ni were calculated using atomistic simulations. Grain boundary energies in different elements are strongly correlated. Consistent with a dislocation model for grain boundary structure, the boundary energy scales with the shear modulus. Boundaries with substantial stacking fault character scale with the stacking fault energy. There is more scatter in the data for Al, which has a high stacking fault energy, than for the low stacking fault energy elements. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：905 / 908

页数：4

共 14 条

[1]

[Anonymous], 2001, PHYS REV B

[2]

[Anonymous], 2007, LAMMPS LARGE SCALE A

[3]

AUST KT, 1952, METAL INTERFACES, P153

[4] THE EMBEDDED-ATOM METHOD - A REVIEW OF THEORY AND APPLICATIONS [J].

DAW, MS ;

FOILES, SM ;

BASKES, MI .

MATERIALS SCIENCE REPORTS, 1993, 9 (7-8) :251-310

[5] INTERATOMIC POTENTIALS FROM 1ST-PRINCIPLES CALCULATIONS - THE FORCE-MATCHING METHOD [J].

ERCOLESSI, F ;

ADAMS, JB .

EUROPHYSICS LETTERS, 1994, 26 (08) :583-588

[6] Computation of grain boundary stiffness and mobility from boundary fluctuations [J].

Foiles, Stephen M. ;

Hoyt, J. J. .

ACTA MATERIALIA, 2006, 54 (12) :3351-3357

[7]

Hirth J.P., 1982, Theory of Dislocations

[8] A dislocation-based description of grain boundary dissociation:: Application to a 90° ⟨110⟩ tilt boundary in gold [J].

Medlin, DL ;

Foiles, SM ;

Cohen, D .

ACTA MATERIALIA, 2001, 49 (18) :3689-3697

[9] Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu [J].

Mendelev, M. I. ;

Kramer, M. J. ;

Becker, C. A. ;

Asta, M. .

PHILOSOPHICAL MAGAZINE, 2008, 88 (12) :1723-1750

[10] Survey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy [J].

Olmsted, David L. ;

Foiles, Stephen M. ;

Holm, Elizabeth A. .

ACTA MATERIALIA, 2009, 57 (13) :3694-3703

← 1 2 →