Shear faults and dislocation core structure simulations in B2 FeAl

Journal Article · Sat Nov 01 00:00:00 EST 1997 · Acta Materialia

DOI:https://doi.org/10.1016/S1359-6454(97)00138-9· OSTI ID:589987

Vailhe, C; Farkas, D ^[1]

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1. 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

Related Subjects

36 MATERIALS SCIENCE
IRON ALLOYS
ALUMINIUM ALLOYS
CRYSTAL DEFECTS
MECHANICAL PROPERTIES
INTERMETALLIC COMPOUNDS
INTERATOMIC FORCES
ELECTRONIC STRUCTURE