Vijay Shastry and Diana Farkas 1996 Modelling Simul. Mater. Sci. Eng. 4 473 doi:10.1088/0965-0393/4/5/004
Molecular statics simulation of fracture in 
-iron
Vijay Shastry
and Diana Farkas
The behaviour of mode I cracks in 
-Fe is investigated using molecular statics computer simulation methods with an EAM potential. 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 pile-up 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 
plane and the crack front is located along 
, 
or 
directions. The crack tip response is rationalized in terms of the surface energy 
of the cleavage plane and the unstable stacking energies 
of the slip planes emanating from the crack front.
- PACS
-
81.40.Np Fatigue, corrosion fatigue, embrittlement, cracking, fracture, and failure
61.72.Lk Linear defects: dislocations, disclinations
- Subjects
- Dates
-
Issue 5 (September 1996)
Received 14 February 1996, accepted for publication 23 July 1996
-
Molecular statics simulation of fracture in -iron
Vijay Shastry and Diana Farkas 1996 Modelling Simul. Mater. Sci. Eng. 4 473
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