Atomistic Potentials for the Molybdenum-Silicon System
Conference
·
OSTI ID:5968
Using a modified version of the Embedded Atom Method (EAM) that includes angular forces, potentials are developed for the Mo/Si system. Previously developed potentials for Mo and Si are used. The cross potential is fit to properties of MoSi2, Mo3Si, and Mo5Si3. Predictions are presented for phase stability, lattice constants, elastic constants, and point and planar defect energies. In general the agreement with experiment is good, but the predicted lattice constants are somewhat greater than experiment.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Organization:
- US Department of Energy (US)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 5968
- Report Number(s):
- SAND98-8442; TRN: AH200115%%350
- Resource Relation:
- Conference: Materials Sciences and Engineering Journal (special edition), No conference location supplied, No conference dates supplied; Other Information: PBD: 1 Nov 1998
- Country of Publication:
- United States
- Language:
- English
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