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2011
Journal Article
Title

Dislocation-vacancy interactions in tungsten

Abstract
We systematically investigate the interaction between a monovacancy and various lattice dislocations in body-centered cubic (bcc) metal tungsten by means of atomistic simulations. Two models with a different level of sophistication have been employed for the description of interatomic interactions - the empirical Finnis-Sinclair potential, which is a central-force scheme, and the bond-order potential, which is able to describe correctly unsaturated directional covalent bonds that are crucial for the cohesion and structure of bcc transition metals. Our simulation results show that the vacancy-dislocation interaction depends sensitively on the separation distance and orientation of the two defects. A comparison of the simulation results with the predictions of elasticity theory shows excellent agreement between the two approaches when the separation between the vacancy and the dislocation core is above 0.5 nm. Large deviations from the elastic limit are found at close dis tances, when the vacancy enters the dislocation core.
Author(s)
Chen, Z.M.
Mrovec, M.
Gumbsch, P.
Journal
Modelling and simulation in materials science and engineering  
File(s)
Download (659.97 KB)
DOI
10.24406/publica-r-226342
10.1088/0965-0393/19/7/074002
Language
English
Fraunhofer-Institut für Werkstoffmechanik IWM  
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