Structural stability and cohesive energy of FCC and BCC metallic nanocrystals

摘要

The two-body part of Erkoc interaction potential energy function is used and tested to predict the structural stability and cohesive energy of molybdenum (Mo) and tungsten (W) metallic nanocrystals by the size dependant potential parameter method. The model proposed is a two-body part of Erkoc's potential energy function. The model applies successfully to BCC and FCC elements and predicts the size-dependence of the cohesive energy of nanocrystals. This prediction agrees with previous experimental measurements on Mo and W.