Representation of finite cracks by dislocation pileups: An application to atomic simulation of fracture
- Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Dept. of Materials Science and Engineering
The elastic displacement field solution of a semi-infinite crack in an anisotropic body, calculated using a complex variable approach due to Sih and Liebowitz, is usually used by atomistic simulations of fracture. The corresponding expression for the displacement field of a finite crack is numerically cumbersome since it involves multiple square roots of complex numbers. In this study, displacement field of the crack is calculated by superposing the displacements of dislocations in an equivalent double pileup, equilibrated under mode I conditions. An advantage of this method is its extensibility to atomistic studies of more complex systems containing multiple cracks or interfaces. The pileup representation of the finite crack is demonstrated as being equivalent to its corresponding continuum description using the example of a double ended crack in {alpha}-Fe, loaded in mode I. In these examples, the interatomic interaction in {alpha}-Fe is described by an empirical embedded atom (EAM) potential.
- Sponsoring Organization:
- Office of Naval Research, Washington, DC (United States)
- OSTI ID:
- 488966
- Report Number(s):
- CONF-951155-; ISBN 1-55899-311-8; TRN: IM9728%%157
- Resource Relation:
- Conference: Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 27 Nov - 1 Dec 1995; Other Information: PBD: 1996; Related Information: Is Part Of Materials theory, simulations, and parallel algorithms; Kaxiras, E. [ed.] [Harvard Univ., Cambridge, MA (United States)]; Joannopoulos, J. [ed.] [Massachusetts Inst. of Tech., Cambridge, MA (United States)]; Vashishta, P.; Kalia, R.K. [eds.] [Louisiana State Univ., Baton Rouge, LA (United States)]; PB: 627 p.; Materials Research Society symposium proceedings, Volume 408
- Country of Publication:
- United States
- Language:
- English
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