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Effects of Hydrogen on the Fracture Properties of Σ9 and Σ11 Tilt Boundaries in Nickel

Published online by Cambridge University Press:  26 February 2011

J.E. Angelo ,
W.W. Gerberich ,
N.R. Moody  and
S.M. Foiles
J.E. Angelo
Affiliation:
Dept. of CEMS, Univ. of MN, Minneapolis, MN 55455
W.W. Gerberich
Affiliation:
Dept. of CEMS, Univ. of MN, Minneapolis, MN 55455
N.R. Moody
Affiliation:
Sandia National Laboratories, Livermore, CA 94551-0969
S.M. Foiles
Affiliation:
Sandia National Laboratories, Livermore, CA 94551-0969
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Abstract

In this study, the Embedded Atom Method is combined with Monte Carlo and molecular dynamics simulations to study the fracture properties of Σ9 and Σ11 tilt boundaries in nickel. The Monte Carlo simulations are used to simulate the exposure of the bicrystal to a hydrogen environment at 300° C. These simulations establish the equilibrium distribution of hydrogen at the boundaries as a function of far-field concentration. The effect of the hydrogen on the fracture process is then studied with molecular dynamics. It will be shown that the fracture stress of the Σ9 boundary is affected over a wider range of far-field concentrations than the Σ11 boundary, although the Σ11 boundary shows that catastrophic failure occurs when the sample is charged beyond a certain far-field concentration.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 278: Symposium W – Computational Methods in Materials Science , 1992 , 159
Copyright
Copyright © Materials Research Society 1992

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