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Effects of B and S on Ni3Al grain boundaries [electronic resource].

Published
Los Alamos, N.M. : Los Alamos National Laboratory, 1988.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description
Pages: 8 : digital, PDF file
Additional Creators
Los Alamos National Laboratory and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
This report describes the procedure used to fit embedded atom style potentials to the pure elements Ni, Al, B and S and the cross potentials necessary for treating alloys and segregants. Grain boundary simulations, and results from molecular statics simulations using the potentials for B and S, and their cross potentials with Ni and Al, which was fit from electronic band structure calculations, are included. 21 refs., 1 fig., 3 tabs. (JL)
Report Numbers
E 1.99:la-ur-88-3861
E 1.99: conf-8809215-3
conf-8809215-3
la-ur-88-3861
Subject(s)
Other Subject(s)
Note
Published through SciTech Connect.
01/01/1988.
"la-ur-88-3861"
" conf-8809215-3"
"DE89003583"
Atomistic modelling in materials - beyond pair potentials, Chicago, IL, USA, 27 Sep 1988.
Chen, S.P.; Voter, A.F.; Hay, P.J.; Albers, R.C.; Boring, A.M.
Funding Information
W-7405-ENG-36
View MARC record | catkey: 14459971