Parallel J-W Monte Carlo simulations of thermal phase changes in finite-size systems Original Research Article

The thermodynamic properties of (TeF6)59 clusters that undergo temperature-driven phase transitions have been calculated with a canonical J-walking Monte Carlo technique. A parallel code for simulations has been developed and optimized on SUN3500 and CRAY-T3E computers. The Lindemann criterion shows that the clusters transform from liquid to solid and then from one solid structure to another in the temperature region 60–130 K.