Hostname: page-component-77c89778f8-vsgnj Total loading time: 0 Render date: 2024-07-17T09:41:11.795Z Has data issue: false hasContentIssue false
  • English
  • Français

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.
Get access

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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 409: Symposium Q – Fracture-Instablility Dynamics, scaling and Ductile/Brittle Behavior , 1995 , 75
Copyright
Copyright © Materials Research Society 1996

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Cheung, K. and Yip, S., Modelling and Simulation in Materials Science and Engineering 2, 865 (1994).Google Scholar
2. deCelis, B., Argon, A., and Yip, S., Journal of Applied Physics 54, 4864 (1983).Google Scholar
3. Harrisson, R., Spaepen, F., Voter, A., and Chen, A., in Innovations in Ultrahigh – Strength Steel Technology, edited by Olson, G., Azrin, M., and Wright, E., page 651, Plenum, 1990.Google Scholar
4. Johnson, R. A., Implication of the EAM format, in Many Atom Interactions in Solids, volume 48, page 85, Springer Proc. in Phys., 1990.Google Scholar
5. Kohlhoff, S., Gumbsch, P., and Fischmeister, H. F., Philosophical Magazine A 64, 851 (1991).Google Scholar
6. Finnis, M. and Sinclair, J., Philosophical Magazine A 50, 45 (1984).Google Scholar
7. Simonelli, G., Pasianot, R., and Savino, E., in Materials Research Society Symposium Proceedings, volume 291, page 567, 1993.Google Scholar
8. Hirth, J. and Lothe, J., Theory of Dislocations, 2nd edition, Wiley & Sons, 1982.Google Scholar
9. Erdogan, F. and Gupta, G. D., Q. Appl. Math. 29, 525 (1972).Google Scholar
10. Rice, J., Journal of the Mechanics and Physics of Solids 40, 239 (1992).Google Scholar
11. Sih, G. C. and Liebowitz, H., Mathematical theories of brittle fracture, in Fracture – An Advanced Treatise, edited by Liebowitz, H., volume II, pages 69–189, Academic Press, New York, 1968.Google Scholar
12. Zhou, S., Carlsson, A., and Thomson, R., Physical Review Letters 72, 852 (1994).Google Scholar
13. Xu, G., Argon, A., and Ortiz, M., Philosphical Magazine A 72, 415 (1995).Google Scholar