Effects of angular dependent terms in the interatomic potential on defect properties in TiAl

Book · Tue Aug 01 00:00:00 EDT 1995

OSTI ID:78314

Panova, J; Farkas, D ^[1]

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1. Virginia Polytechnic Inst., Blacksburg, VA (United States). Dept. of Materials Science and Engineering

Interatomic potentials of the Embedded Atom and Embedded Defect types were used to study the effect of the angular dependent term in the Embedded Defect potential on the properties of defects in TiAl. The defect properties were computed with interatomic potentials developed with and without angular dependent terms. It was found that the inclusion of the angular dependent terms tends to increase the energies of the APB`s and lower the energies of stacking faults. The effects of the angular term on the relaxation around vacancies and antisites in TiAl was also studied, as well as the core structure of several dislocations in this compound.

• OSTI ID: 78314
• Report Number(s): CONF-941144-; ISBN 1-55899-265-0; TRN: IM9531%%367
• 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

Related Subjects

36 MATERIALS SCIENCE
TITANIUM ALLOYS
CRYSTAL DEFECTS
ALUMINIUM ALLOYS
INTERMETALLIC COMPOUNDS
INTERATOMIC FORCES
GRAIN BOUNDARIES
CALCULATION METHODS
COMPUTERIZED SIMULATION
THEORETICAL DATA