Papers by Keyword: Dislocation Core

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Authors: Jan Fikar, Robin Schäublin, Carolina Björkas
Abstract: Atomistic simulations are used to describe the ½<111> screw dislocation in tungsten. Two different embedded atom model (EAM) potentials and one bond-order potential (BOP) are compared. A new analytical approach for constructing asymmetrical screw dislocations is presented.
247
Authors: Kinichi Masuda-Jindo, Masato Aoki, A.P. Horsfield, David Pettifor
1225
Authors: P. Sitch, R. Jones, M.I. Heggie, Sven Öberg
501
Authors: M. Müller, Michael Zehetbauer, F. Sachslehner, V. Gröger
557
Authors: Yu Fei Shao, Xin Yang, Jiu Hui Li, Xing Zhao
Abstract: Dislocation core structures in Au and Cu crystals are investigated by means of quasicontinuum simulations combined with the embedded atom method potentials. A dislocation pair in a graphene sheet, which is observed by Warner et al. experimentally, is also analyzed in the present work. The strain fields around these dislocations in Au, Cu, and graphene crystals are calculated by analyzing the coordinates of discrete atoms, which is a strain tensor calculation method proposed by Zimmerman et al., and compared with theoretical predictions based on Foreman dislocation model. It is shown that the strain fields given by Zimmerman theory are completely suitable for describing the dislocation core structures of Au, Cu and graphene crystals. However, compared with the results of Au and Cu, the Zimmerman strain field in the vicinity of graphene dislocation core is a little less accurate, possibly due to the effect of lattice symmetry of graphene, which needs to be clarified in the future study.
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