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Molecular Dynamics Study of Crack Propagation in Ni-Al

Published online by Cambridge University Press:  28 February 2011

S. Charpenay ,
P.C. Clapp ,
J.A. Rifkin ,
Z.Z. Yu  and
A.F. Voter
S. Charpenay
Affiliation:
Institute of Materials Science, Univ. of Conn., Storrs, CT 06268
P.C. Clapp
Affiliation:
Institute of Materials Science, Univ. of Conn., Storrs, CT 06268
J.A. Rifkin
Affiliation:
Institute of Materials Science, Univ. of Conn., Storrs, CT 06268
Z.Z. Yu
Affiliation:
Institute of Materials Science, Univ. of Conn., Storrs, CT 06268
A.F. Voter
Affiliation:
Theoretical Division, Los Alamos National Lab., Los Alamos, NM 87545
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Abstract

Using an Embedded Atom Method calculation of the interatomic potentials and volume forces in the Ni-Al alloy system, we have examined the plastic and elastic response of an ordered bcc Ni-Al crystal with a pre-existing crack under Mode I loading at various temperatures, stresses and crystal orientation. Depending upon those conditions we found evidence of slip and dislocation generation near the crack tip concomitant with crack propagation. we also saw evidence of a brittle to ductile transition above a certain temperature which is manifested by copious slip and dislocation production. Atomic arrays up to 4000 atoms have been studied.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 323
Copyright
Copyright © Materials Research Society 1989

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References

[1] Daw, M.S. and Baskes, M.I., Phys. Rev. B 29, 6443 (1984).CrossRefGoogle Scholar
[2] Voter, A.F. and Chen, S.P., Mat. Res. Soc. Symp. Proc. Vol 82, pages 175–180, 1987.Google Scholar
[3] Daw, M.S. and Baskes, M.I., in “Computer Simulation in Materials Science”, ASM (1988), pp 137–148.Google Scholar