Computer Science
Scientific paper
Jan 1992
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1992phdt........87l&link_type=abstract
Thesis (PH.D.)--POLYTECHNIC UNIVERSITY, 1992.Source: Dissertation Abstracts International, Volume: 53-07, Section: B, page: 371
Computer Science
Scientific paper
The (111) planar defect energies at the ground state in L1_0 TiAl were calculated by pair potential models(PPM) and the embedded atom method (EAM). The results by the EAM show that the magnitudes of the defect energies in a (111) plane are in descending order: APB, CSF and ISF. The APB energy varies depending on its habit. The APB energy decreases when the APB undergoes cross-slip from (111) plane onto either (101) plane or (010) plane. The calculated APB energies in (111) plane, (101) plane and (010) plane were found to be 322, 237 and 131 mJ/m^2, respectively. The planar defects in the (113) plane of L1 _0 TiAl were created by a shear model using various displacement vectors; The geometries of these defects were studied and compared with those of the (111) planar defects, and their energies were also determined by the PPM and the EAM. The (113) gamma -surface calculated by the EAM shows that the metastable ISF and APB exist in the (113) plane, but the metastable CSF does not. The energies of ISF, ESF and APB were found to be 1413, 1340 and 1446 mJ/m^2, respectively. By and large, the higher energies of the planar defects in (113) plane than in (111) plane indicate that these defects in the (113) plane may be formed only at high temperatures. The energies of the dissociated super-dislocations with Burgers vector of <101) in various configurations were calculated based on the balance between the repulsive force among the partial dislocations and the attractive force originating from the planar defect energy. The results show that the obtuse stair-rod configuration without an APB possesses the lowest energy, the obtuse extended K-W type configuration, the second lowest, and the obtuse Kear-Wilsdorf type configuration, the third lowest energy among the considered configurations. In the study, the thermodynamic hierarchy of the most probable configurations of <101) type super-dislocations in L1_0 TiAl has been established.
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