We investigate by classical molecular dynamics the pre-fragmentation dynamics of a C60 molecule, occurring above 4500 K. and calculate the curve of the caloric equation of state. We discuss the solid-to-liquid transition displayed by C60 just below the disintegration temperature. Moreover, we report on the existence of a phase characterized by hoppings among different isomeric structures. A metastable liquid-like state is observed and discussed as well.
Serra, S., Sanguinetti, S., Colombo, L. (1994). Pre-fragmentation Dynamics of C-60 - A Molecular-dynamics Investigation. CHEMICAL PHYSICS LETTERS, 225(1-3), 191-195 [10.1016/0009-2614(94)00619-9].
Pre-fragmentation Dynamics of C-60 - A Molecular-dynamics Investigation
SANGUINETTI, STEFANO;
1994
Abstract
We investigate by classical molecular dynamics the pre-fragmentation dynamics of a C60 molecule, occurring above 4500 K. and calculate the curve of the caloric equation of state. We discuss the solid-to-liquid transition displayed by C60 just below the disintegration temperature. Moreover, we report on the existence of a phase characterized by hoppings among different isomeric structures. A metastable liquid-like state is observed and discussed as well.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.