Effects of B and S on Ni3Al grain boundaries [electronic resource].
- Los Alamos, N.M. : Los Alamos National Laboratory, 1988. and 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
- Restrictions on Access:
- Free-to-read Unrestricted online access
- 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)
- 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., and Chen, S.P.; Voter, A.F.; Hay, P.J.; Albers, R.C.; Boring, A.M.
- Funding Information:
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