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A hybrid method for computing forces on curved dislocations intersecting free surfaces in three-dimensional dislocation dynamics

Meijie Tang1, Wei Cai2, Guanshui Xu3 and Vasily V Bulatov1

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Dislocations intersecting free surfaces present a challenge for numerical implementation of traction-free boundary conditions in dislocation dynamics simulations. The difficulty arises when singular analytic expressions of dislocation stress fields need to be used in combination with numerical methods to calculate image stress fields due to the free surfaces. A new hybrid method is developed here in which the singular and non-singular parts of the image stress are dealt with separately. The analytic solution for a semi-infinite straight dislocation intersecting the surface of elastic half-space is used to account for the singular part of the image stress, while the remaining non-singular part is treated using the standard finite element method. The numerical advantages of this decomposition are demonstrated with examples.


PACS

61.72.Bb Theories and models of crystal defects

61.72.Ff Direct observation of dislocations and other defects (etch pits, decoration, electron microscopy, x-ray topography, etc.)

61.72.Lk Linear defects: dislocations, disclinations

62.20.M- Structural failure of materials

02.70.Dh Finite-element and Galerkin methods

Subjects

Computational physics

Condensed matter: structural, mechanical & thermal

Dates

Issue 7 (October 2006)

Received 1 February 2006, in final form 21 June 2006

Published 21 August 2006



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