Validity of Wulff construction used for size-dependent melting point of nanoparticles
An integrated model based on the variant of Ba/Bt, is established to predict size-dependent melting point of
nanoparticles by considering the geometric and energetic characteristics of Wulff construction. Ba is the rest
bond number and Bt denotes the total bond number without broken bonds in a Wulff construction. Without
any adjustable parameters, this model predicts a decreasing trend of melting point with the size dropping for
nanoparticles. The good agreement between theoretical predictions and the evidences in experiments and
molecular dynamic simulation confirms the validity of Wulff construction in describing thermodynamic behaviors
of nanoparticles even with no need in considering their crystalline structures.