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Atomistic Simulations of [001] Symmetric Tilt Boundaries in Ni3Al

Published online by Cambridge University Press:  28 February 2011

S. P. Chen ,
A. F. Voter  and
D. J. Srolovitz
S. P. Chen
Affiliation:
Los Alamos National Laboratory, Los Alamos, NM 87545
A. F. Voter
Affiliation:
Los Alamos National Laboratory, Los Alamos, NM 87545
D. J. Srolovitz
Affiliation:
Los Alamos National Laboratory, Los Alamos, NM 87545
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Abstract

We report a systematic atomistic simulation study of [001] symmetric tilt grain boundaries (GB) in Ni3Al, Ni, and Al. We found that the grain boundary energies and cohesive energies of Ni3Al and pure fcc Ni are approximately thesame. Grain boundary energies aid cohesive energies in Ni3Al depends stronglyon the grain boundary composition. The Al-rich boundaries have highest grain boundary energies and lowest cohesive energies. This offers an explanation for the stoichiometric effect on the boron ductilization

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 81: Symposium H – High-Temperature Ordered Intermetallic Alloys II , 1986 , 45
Copyright
Copyright © Materials Research Society 1987

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References

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