Solution of the atomic structure of the {Sigma} = 5 (310) [001] grain boundary in NiAl by HREM and atomistic simulations
- Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Materials Science and Engineering
The atomic structure of the {Sigma} = 5 (310) [001] grain boundary in NiAl has been determined by a synergistic approach combining high resolution electron microscopy (HREM) and atomistic structure calculations. A bicrystal of controlled orientation was produced by diffusion bonding and imaged with the electron beam parallel to the [001] tilt axis. The results showed that the material remains chemically ordered up to the boundary plane. Atomistic structure calculations employed N-body empirical potentials developed for the NiAl phase to examine the changes in interfacial energy due to the incorporation of various point defects at the grain boundary. A self consistent model structure was determined which was of lowest energy and produced calculated images which matched experimental images of the boundary. Monte Carlo simulations confirm the stability of this structure at finite temperatures.
- OSTI ID:
- 78361
- Report Number(s):
- CONF-941144-; ISBN 1-55899-265-0; TRN: IM9531%%414
- Resource Relation:
- Conference: Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 28 Nov - 9 Dec 1994; Other Information: PBD: 1995; Related Information: Is Part Of High-temperature ordered intermetallic alloys VI: Part 1. Materials Research Society symposium proceedings Volume 364; Horton, J. [ed.] [Oak Ridge National Lab., Oak Ridge, TN (United States)]; Baker, I. [ed.] [Dartmouth College, Hanover, NH (United States)]; Hanada, Shuji [ed.] [Tohoku Univ., Sendai (Japan)]; Noebe, R.D. [ed.] [NASA Lewis Research Center, Cleveland, OH (United States)]; Schwartz, D.S. [ed.] [McDonnell Douglas Aerospace, St. Louis, MO (United States)]; PB: 713 p.
- Country of Publication:
- United States
- Language:
- English
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