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Molecular Statics Simulation Of Crack Propagation In A-Fe Using Eam Potentials

Published online by Cambridge University Press:  15 February 2011

Vijay Shastry and
Diana Farkas
Vijay Shastry
Affiliation:
Department of Materials Science and Engineering, Virginia Tech., Blacksburg VA 24061.
Diana Farkas
Affiliation:
Department of Materials Science and Engineering, Virginia Tech., Blacksburg VA 24061.
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Abstract

The behavior of mode I cracks in α-Fe is investigated using molecular statics methods with EAM potentials. A double ended crack of finite size embedded in a cylindrical simulation cell and fixed boundary conditions are prescribed along the periphery of the cell, whereas periodic boundary conditions are imposed parallel to the crack front. The displacement field of the finite crack is represented by that of an equivalent pileup of opening dislocations distributed in a manner consistent with the anisotropy of the crystal and traction free conditions of the crack faces. The crack lies on the {110} plane and the crack front is located either along á100ñ, á110ñ or á111ñ directions. The crack tip response is rationalized in terms of the surface energy (γs) of the cleavage plane and the unstable stacking energies (γus) of the slip planes emanating from the crack front.

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