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Investigation of Melting Dynamics of Hafnium Clusters
Wei Chun Ng1, Thong Leng Lim2, Tiem Leong Yoon1
1School of Physics, Universiti Sains Malaysia , 11800 USM Pulau Pinang, Malaysia.
Abstract:
Melting dynamics of hafnium clusters are investigated using a novel approach based on the idea of the chemical similarity index. Ground state configurations of small hafnium clusters are first derived using Basin-Hopping and Genetic Algorithm in the parallel tempering mode, employing the COMB potential in the energy calculator. These assumed ground state structures are verified by using the Low Lying Structures (LLS) method. The melting process is carried out either by using the direct heating method or prolonged simulated annealing. The melting point is identified by a caloric curve. However, it is found that the global similarity index is much more superior in locating premelting and total melting points of hafnium clusters.
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