Dislocations in materials with mixed covalent and metallic bonding

被引:19
作者
Nguyen-Manh, D [1 ]
Cawkwell, MJ
Gröger, R
Mrovec, M
Porizek, R
Pettifor, DG
Vitek, V
机构
[1] UKAEA, Culham Div, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England
[2] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA
[3] Fraunhofer Inst Mech Mat, D-79108 Freiburg, Germany
[4] Univ Oxford, Dept Mat, Oxford OX1 3PH, England
来源
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING | 2005年 / 400卷
基金
欧盟地平线“2020”; 英国工程与自然科学研究理事会;
关键词
core structure; non-planar spreading; screw dislocation; gamma-surface energies; tight-binding scheme; environmental dependence; bond-order potentials;
D O I
10.1016/j.msea.2005.03.081
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Environment-dependent bond-order potentials have been developed for Ll(0) TiAl, bcc Mo and fee In They comprise both the angular character of bonding and the screening effect of nearly free electrons. These potentials have been employed in atomistic studies of screw dislocations that revealed the non-planar character of their cores. It is argued that both covalent as well as metallic character of bonding govern these structures, which in turn control the mechanical behaviour. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码:68 / 71
页数:4
相关论文
共 22 条
[11]   Environmentally dependent bond-order potentials: New developments and applications [J].
Nguyen-Manh, D ;
Pettifor, DG ;
Cockayne, DJH ;
Mrovec, M ;
Znam, S ;
Vitek, V .
BULLETIN OF MATERIALS SCIENCE, 2003, 26 (01) :43-51
[12]  
NGUYENMANH D, 2004, P 3 INT C COMP MOD S, P45
[13]   FRACTURE-BEHAVIOR OF POLYCRYSTALLINE IRIDIUM UNDER TENSION IN THE TEMPERATURE-RANGE 20-1500 DEGREES-C [J].
PANFILOV, P ;
NOVGORODOV, V ;
YERMAKOV, A .
JOURNAL OF MATERIALS SCIENCE LETTERS, 1994, 13 (02) :137-141
[14]   NEW MANY-BODY POTENTIAL FOR THE BOND ORDER [J].
PETTIFOR, DG .
PHYSICAL REVIEW LETTERS, 1989, 63 (22) :2480-2483
[15]   Analytic bond-order potentials for multicomponent systems [J].
Pettifor, DG ;
Finnis, MW ;
Nguyen-Manh, D ;
Murdick, DA ;
Zhou, XW ;
Wadley, HNG .
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2004, 365 (1-2) :2-13
[16]  
Porizek R, 2003, MATER RES SOC SYMP P, V753, P181
[17]   Core structure of screw dislocations in body-centred cubic metals: relation to symmetry and interatomic bonding [J].
Vitek, V .
PHILOSOPHICAL MAGAZINE, 2004, 84 (3-5) :415-428
[18]   STRUCTURE OF DISLOCATION CORES IN METALLIC MATERIALS AND ITS IMPACT ON THEIR PLASTIC BEHAVIOR [J].
VITEK, V .
PROGRESS IN MATERIALS SCIENCE, 1992, 36 :1-27
[19]   Flexible ab initio boundary conditions:: Simulating isolated dislocations in bcc Mo and Ta -: art. no. 216402 [J].
Woodward, C ;
Rao, SI .
PHYSICAL REVIEW LETTERS, 2002, 88 (21) :4-216402
[20]   Ab-initio simulation of (a/2)⟨110] screw dislocations in γ-TiAl [J].
Woodward, C ;
Rao, SI .
PHILOSOPHICAL MAGAZINE, 2004, 84 (3-5) :401-413