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Atomic Simulation Of The Al2 (111) (110) Edge Dislocation In Alpha-Iron, Brent L. Adams, P. C. Gehlen, J. P. Hirth, R. G. Hoagland

Faculty Publications

The authors are pleased to acknowledge: the support of this research by the National Science Foundation under Grant DMR 74-21243 and by the provision of computer time by The Ohio State University and by Battelle Columbus Laboratories; and helpful comments on the manuscript by V Vitek. Computer simulation is used to obtain the plane strain and non-plane strain equilibrium core structures for the a/2 <111> {110} edge dislocation in alpha-iron as modelled by the Johnson potential. The methods of the integral formulation of anisotropic linear eleasticity theory are employed in the analysis. Flexible core boundary methods reveal that positive volume expansions …