Shear faults and dislocation core structure simulations in B2 FeAl
- Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Dept. of Materials Science and Engineering
Embedded atom potentials were derived for the Fe-Al system reproducing lattice and elastic properties of B2 FeAl. The structure and energy of vacancies, antisites and anti phase boundaries (APBs) were studied. A significant decrease in the APB energy was obtained for Fe-rich B2 alloys. Shear fault energies along the {l_brace}110{r_brace} and {l_brace}112{r_brace} planes were computed showing that stable planar faults deviated from the exact APB fault. Core structures and critical Peierls stress values were simulated for the <100> and <111> dislocations. The superpartials created in the dissociation reactions were not of the 1/2<111> type, but 1/8<334> in accordance with the stable planar fault in the {l_brace}110{r_brace} planes. The results obtained for these simulations are discussed in terms of the mechanical behavior of FeAl and in comparison with B2 NiAl.
- Sponsoring Organization:
- Office of Naval Research, Washington, DC (United States); National Science Foundation, Washington, DC (United States)
- OSTI ID:
- 589987
- Journal Information:
- Acta Materialia, Vol. 45, Issue 11; Other Information: PBD: Nov 1997
- Country of Publication:
- United States
- Language:
- English
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