Abstract

A new scheme of the modified embedded atom method (MEAM) is developed by modifyingthe analytic form of the embedding function. The new MEAM parameters for Mo, W, V,Nb, Ta and Fe have been determined by relating them to not only bulk properties but alsosome non-bulk properties. The new scheme was applied to calculate the elastic stiffnessof the crystal, the vacancy formation energy, the lattice stability, the surfaceenergies for low-index crystal faces and the bond length and the binding energyfor the dimer. The results give a fairly good agreement with the experimentaldata.

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