Title: Phase transformation of fullerenes using molecular dynamics simulation
Abstract:The phase transformation behavior of carbon clusters is investigated using molecular dynamics simulation. Phase transformation behavior plays an important role in generating cluster of weakly bound mo...The phase transformation behavior of carbon clusters is investigated using molecular dynamics simulation. Phase transformation behavior plays an important role in generating cluster of weakly bound molecule. The simulation results show that the configuration of clusters changes from a spherical structure at low temperatures to a linear or prolate shape at high temperatures. As the number of carbon atoms increases the absolute value of the internal energy in the fullerene increases. Furthermore, the formation heat and melting point of the fullerene increase as the number of carbon atoms increases, except that the value of C60 is lower than that of C36.Read More
Publication Year: 2004
Publication Date: 2004-05-25
Language: en
Type: article
Indexed In: ['crossref']
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