화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.7, 2570-2582, 2000
On the temperature, equipartition, degrees of freedom, and finite size effects: Application to aluminum clusters
The relationship between statistical ensembles (especially microcanonical ensemble) and dynamics, the equipartition theorem, and the notion of dynamical temperature are reexamined with an emphasis on finite size effects. A (dynamical) equipartition ansatz (postulate) is formulated and the notion of dynamical degrees of freedom is introduced. The utility of the dynamical degrees of freedom as an analysis tool is discussed and illustrated in applications to model aluminum clusters.