Effect of Re content on elastic properties of B2 NiAl from ab initio calculations
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Embedded-atom potential for B2-NiAl
An embedded-atom potential has been constructed for the intermetallic compound B2-NiAl by fitting to both experimental properties and ab initio data. The ab initio data have been generated in the form of energy-volume relations for a number of alternative structures of NiAl and Ni3Al, as well as for Ni and Al. The potential accurately reproduces the basic lattice properties of B2-NiAl, planar f...
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