We report a Brownian isothermal molecular dynamics simulation study of bimetallic clusters. Beginning at their lowest energy structures which were obtained from a recently developed algorithm, we investigate the effect of temperature on the thermal and geometric of Cum Aun-m at given nuclearity n. We study in particular the change in temperature of the relative root-mean-squared bond length fluctuation δ so-called Lindemann parameter and exploit the underlying mechanism that leads to its thermal variation. We then discuss the correlation of δ to the specific heat which is used generally to deduce the bulklike melting of bimetallic clusters. The mismatch quite often seen at the melting temperature between δ and specific heat can now be understood better.
|期刊||Physical Review B - Condensed Matter and Materials Physics|
|出版狀態||已出版 - 30 4月 2007|