Dynamics and Thermodynamics of Nanoclusters

Entropy

Karo Michaelian²  Ivan Santamar໚-Holek¹ 

[1] UMDI-Facultad de Ciencias, Universidad Nacional Autonoma de Mexico, Campus Juriquilla, Queretaro 76230, Mexico; E-Mail:;Instítuto de Física, Universidad Nacional Autónoma de México, Apdo. Post. 20-364, México D.F. 01000, Mexico

关键词: nanocluster;    thermodynamics;    heat capacity;    dynamics;    canonical ensemble;    microcanonical ensemble;   

DOI  :  10.3390/e17107133

来源: mdpi

【 摘 要 】

The dynamic and thermodynamic properties of nanoclusters are studied in two different environments: the canonical and microcanonical ensembles. A comparison is made to thermodynamic properties of the bulk. It is shown that consistent and reproducible results on nanoclusters can only be obtained in the canonical ensemble. Nanoclusters in the microcanonical ensemble are trapped systems, and inconsistencies will be found if thermodynamic formalism is applied. An analytical model is given for the energy dependence of the phase space volume of nanoclusters, which allows the prediction of both dynamical and thermodynamical properties.

【 授权许可】

CC BY   
© 2015 by the authors; licensee MDPI, Basel, Switzerland.