Open AccessOn the Conundrum of the Heat Capacityof Metallic Nanoclasters
Author(s) -
V. M. Samsonov,
Yu. Ya. Gafner,
С. Л. Гафнер,
I. S. Zamulin
Publication year - 2012
Publication title -
eurasian chemico-technological journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.227
H-Index - 9
eISSN - 2522-4867
pISSN - 1562-3920
DOI - 10.18321/ectj127
Subject(s) - nanoclusters , heat capacity , metal , enthalpy , cluster (spacecraft) , thermodynamics , materials science , specific heat , phase (matter) , standard enthalpy of formation , chemistry , atomic physics , physics , nanotechnology , metallurgy , organic chemistry , programming language , computer science
The heat capacity of nanoclusters was investigated using thermodynamics of surfaces, taking into account the surface enthalpy introduced by E. Guggenhein. It is shown that the cluster heat capacity C p should be greater than the heat capacity of the corresponding bulk phase. However, the ratio should not exceed 50% up to very small clusters containing 100 atoms. Theoretical estimations agree with molecular dynamics results. So, experimental data on metallic nanoclusters and nanostructures demonstrating that C p exceeds in 2-5 times should be incorrect.