Atomistic studies in grain boundaries in NiAl
Conference
·
OSTI ID:10116128
- Los Alamos National Lab., NM (United States)
- Pennsylvania Univ., Philadelphia, PA (United States). Dept. of Materials Science and Engineering
This paper presents the results of atomistic studies of grain boundaries in NiAl B2 alloy. The interatomic forces are described by Finnis-Sinclair type N-body potentials, and are fitted to properties of NiAl. The results show that the structure, energy and cohesive strength of a grain boundary depend strongly on its chemical configurations, and a grain boundary with surplus of Al is the weakest. Energies of antisite defects at the grain boundary {Sigma}5 (210) are also calculated, and the results suggest that Al has much larger tendency to segregate at a grain boundary than Ni does.
- Research Organization:
- Los Alamos National Lab., NM (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-7405-ENG-36
- OSTI ID:
- 10116128
- Report Number(s):
- LA-UR--94-4218; CONF-941144--38; ON: DE95005208
- Country of Publication:
- United States
- Language:
- English
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