Publisher： Trans Tech Publications
E-ISSN： 1662-9779|2016|258|97-101
ISSN： 1012-0394
Source： Solid State Phenomena, Vol.2016, Iss.258, 2017-01, pp. : 97-101
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Abstract
Small prismatic dislocation loops in BCC metals have Burgers vectors either ½lt;111gt; or lt;100gt; and are usually close to circular shape. In atomistic simulations constructing prismatic dislocation loops of different shapes is straightforward, however, it is difficult to compare their formation energies, since loops of different shapes or different Burgers vectors do not necessarily have exactly the same size. Here we develop a general method to correctly compare loops of similar size but different shapes and the Burgers vectors. This method is combined with molecular statics simulations to identify the most energetically favorable shapes of prismatic dislocation loops in elastically isotropic tungsten and anisotropic α-iron.
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