Density functional theory study on stacking faults and twinning in Ni nanofilms

被引：32

作者：

Datta, Aditi ^{[1
]}

Waghmare, U. V. ^{[2
]}

Ramamurty, U. ^{[1
]}

机构：

[1] Indian Inst Sci, Dept Mat Engn, Bangalore 560012, Karnataka, India

[2] Jawaharlal Nehru Ctr Adv Sci Res, Theoret Sci Unit, Bangalore 560064, Karnataka, India

来源：

SCRIPTA MATERIALIA | 2009年 / 60卷 / 02期

关键词：

Dislocations; Slip; Twinning; Density functional theory (DFT); Stacking faults; FCC METALS; DEFORMATION;

D O I：

10.1016/j.scriptamat.2008.09.018

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The energies of stacking and twinning faults in nanofilms of Ni with 7, 13 and 19-layers of (1 1 1) planes were determined using first-principles density functional theory total energy calculations. The ratios of energy barriers relevant to nucleation of dislocations and twinning as obtained from the generalized planar fault energy curves suggest an enhanced tendency for extended partial dislocation formation and twinning in the nano-thin films vis-a-vis the bulk. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：124 / 127

页数：4

共 23 条

[1] Mechanistic models for the activation volume and rate sensitivity in metals with nanocrystalline grains and nano-scale twins [J].

Asaro, RJ ;

Suresh, S .

ACTA MATERIALIA, 2005, 53 (12) :3369-3382

[2] Tight-binding calculations of stacking energies and twinnability in fcc metals [J].

Bernstein, N ;

Tadmor, EB .

PHYSICAL REVIEW B, 2004, 69 (09)

[3]

Hirth J.P., 1982, Theory of Dislocations

[4] Predicting twinning stress in fcc metals: Linking twin-energy pathways to twin nucleation [J].

Kibey, S. ;

Liu, J. B. ;

Johnson, D. D. ;

Sehitoglu, H. .

ACTA MATERIALIA, 2007, 55 (20) :6843-6851

[5] Deformation twinning in nanocrystalline copper at room temperature and low strain rate [J].

Liao, XZ ;

Zhao, YH ;

Srinivasan, SG ;

Zhu, YT ;

Valiev, RZ ;

Gunderov, DV .

APPLIED PHYSICS LETTERS, 2004, 84 (04) :592-594

[6] Analogous mechanical behaviors in (100) and (110) directions of Cu nanowires under tension and compression at a high strain rate [J].

Lin, Yuan-Ching ;

Pen, Dar-Jen .

NANOTECHNOLOGY, 2007, 18 (39)

[7] Generalized-stacking-fault energy surface and dislocation properties of aluminum [J].

Lu, G ;

Kioussis, N ;

Bulatov, VV ;

Kaxiras, E .

PHYSICAL REVIEW B, 2000, 62 (05) :3099-3108

[8] Stabilization of extended stacking faults by {111}/{112} twin junction interactions [J].

Marquis, Ernmanuelle A. ;

Medlin, Douglas L. ;

Leonard, Francois .

ACTA MATERIALIA, 2007, 55 (17) :5917-5923

[9]

MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI [10.1103/PhysRevB.13.5188, 10.1103/PhysRevB.16.1746]

[10] Deformation of FCC nanowires by twinning and slip [J].

Park, Harold S. ;

Gall, Ken ;

Zimmerman, Jonathan A. .

JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2006, 54 (09) :1862-1881

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