
TY  - JOUR
A1  - N Hale, Barbara 
T1  - Monte Carlo Calculations of Effective Surface Tension for Small Clusters
JF  - Australian Journal of Physics
JO  - Aust. J.  Phys.
Y1  - 1996
VL  - 49
IS  - 2
SP  - 425
EP  - 434
KW  - 
UR  - https://doi.org/10.1071/PH960425 
N2  - In this study we have calculated configurational Helmholtz free energy differences between n and n &#8211; 1 molecule water clusters and nand n &#8211; 1 atom argon clusters using classical effective atom-atom pair potentials and the Bennett&#8211;Metropolis Monte Carlo technique. When plotted versus n&#8211;1/ 3 the slope of the free energy differences yields an effective surface tension, &#963;. It is found that these slopes display a universal (material independent) property related to the excess surface entropy / &#954; per molecule (or atom), &#937;. For most materials (in the bulk liquid state) the latter quantity is about 2. The results indicate that clusters as small as n = 10 display bulk surface free energy properties. The temperature dependence of the effective surface tension for the model water clusters is also investigated and is consistent with a simple scaled form, &#963;&#160;/ &#954;T&#961;2/3liquid &#8776; &#937;(Tc&#160;/T &#8211; 1), where Tc = 647 K and &#937; = 1·9. 
ER  -

