The second nearest-neighbor modified embedded atom method (MEAM)[Phys. Rev. B 62,
8564 (2000)], developed in order to solve problems of the original first nearest-neighbor
MEAM on bcc metals, has now been applied to all bcc transition metals, Fe, Cr, Mo, W, V,
Nb, and Ta. The potential parameters could be determined empirically by fitting to (∂ B/∂
P), elastic constants, structural energy differences among bcc, fcc and hcp structures,
vacancy-formation energy, and surface energy. Various physical properties of individual …

The modified embedded-atom method, a first nearest-neighbor semiempirical model for
atomic potentials, can describe the physical properties of a wide range of elements and
alloys with various lattice structures. However, the model is not quite successful for bcc
metals in that it predicts the order among the size of low index surface energies incorrectly
and that it generates a structure more stable than bcc for some bcc metals. In order to
remove the problems, the formalism has been extended so that the second nearest neighbor …