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

Datta, Aditi ; Waghmare, U. V. ; Ramamurty, U. (2009) Density functional theory study on stacking faults and twinning in Ni nanofilms Scripta Materialia, 60 (2). pp. 124-127. ISSN 1359-6462

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Official URL: http://www.sciencedirect.com/science/article/pii/S...

Related URL: http://dx.doi.org/10.1016/j.scriptamat.2008.09.018

Abstract

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-à-vis the bulk.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
Keywords:Dislocations; Slip; Twinning; Density Functional Theory (DFT); Stacking Faults
ID Code:59433
Deposited On:06 Sep 2011 05:45
Last Modified:05 Jul 2012 10:40

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