Hostname: page-component-cd9895bd7-lnqnp Total loading time: 0 Render date: 2024-12-30T22:26:39.860Z Has data issue: false hasContentIssue false
  • English
  • Français

Molecular dynamics simulations of surface reconstruction at the edges of a crack in ruthenium aluminum

Published online by Cambridge University Press:  03 March 2011

C.S. Becquart ,
P.C. Clapp  and
J.A. Rifkin
C.S. Becquart
Affiliation:
Center for Materials Simulations, Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269-3136
P.C. Clapp
Affiliation:
Center for Materials Simulations, Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269-3136
J.A. Rifkin
Affiliation:
Center for Materials Simulations, Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269-3136
Get access

Abstract

Using molecular dynamics computer simulations and interatomic potentials derived partly by Voter and Chen1 and Rifkin et al.,2 we studied the surface reconstruction taking place on free surfaces of arrays of RuAl. Surface reconstruction appears to be very important on {111} and {110} types of planes and almost nonexistent on {100} type of planes. Cracks oriented so that their crack planes were either {111} types or {110} types exhibit on their internal free surface important surface reconstruction. It is believed that this effect may have some contribution in the brittle versus ductile behavior of the crack.

Type
Articles
Information
Journal of Materials Research , Volume 9 , Issue 3 , March 1994 , pp. 548 - 552
Copyright
Copyright © Materials Research Society 1994

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

REFERENCES

1Voter, A. F. and Chen, S. P., Characterization of Defects in Materials, edited by Siegel, R. W., Weertman, J. R., and Sinclair, R. (Mater. Res. Soc. Symp. Proc. 82, Pittsburgh, PA, 1987), p. 175.Google Scholar
2Rifkin, J. A., Becquart, C. S., Kim, D., and Clapp, P. C., in Computational Methods in Materials Science, edited by Mark, J. E., Glicksman, M. E., and Marsh, S. P. (Mater. Res. Soc. Symp. Proc. 278, Pittsburgh, PA, 1992), p. 173.Google Scholar
3Sih, G. C. and Liebowitz, H., Fracture: An Advanced Treatise, edited by Liebowitz, H. (Academic Press, New York and London, 1968), Vol. 2, p. 125.Google Scholar
4Becquart, C. S., Kim, D., Rifkin, J. A., and Clapp, P. C., Mater. Sci. Eng. (in press).Google Scholar
5Georgopoulos, P. and Cohen, J. B., Acta Metall. 29, 1535 (1981).CrossRefGoogle Scholar
6Wang, Z. Q., Li, Y. S., Lok, C. K. C, Quinn, J., Jona, F., and Marcus, P. M., Solid State Commun. 62, 181 (1987).CrossRefGoogle Scholar
7Foiles, S. M., Phys. Rev. B 32, 7865 (1985).Google Scholar
8Rice, J. R., J. Mech. Phys. Solids 40, 239 (1991).CrossRefGoogle Scholar
9Rice, J. R., private communication (1992).Google Scholar
10Kittel, C., Introduction to Solid State Physics, 5th ed. (John Wiley, New York, 1976).Google Scholar