Abstract

The structural stability and theoretical strength of BCC crystals Fe, V, Nb and Ta under hydrostatic loading have been investigated by using the modified analytical embedded atom method (MAEAM). For all the calculated BCC crystals, the failures occur while the relation m >0 is violated in compression and k >0 is violated in tension. It found that the stable regions are 0.9269~1.1495, 0.9270~1.1545, 0.9268~1.1449 and 0.9268 ~ 1.1427 in the lattice stretch l  or the corresponding -408.89 ~ 123.54, -186.96 ~ 131.43, -259.07 ~ 152.53 and -283.92 ~137.04eV/nm³ in the theoretical strength for Fe, V, Nb and Ta, respectively. The calculated maximum tensile stresses s_max of Fe, V, Nb and Ta are 123.57, 131.74, 154.45 and 137.85eV/nm³ and the corresponding lattice stretch l_max ??are 1.1527, 1.1617, 1.1661 and 1.1545. The calculated maximum tensile stress s_max and the corresponding lattice stretch l_max ??of Fe are consistent well with the results of Ab initio calculation.

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