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.
Articolo in rivista - Articolo scientifico
Fullerenes; Molecular Dynamics
English
1994
225
1-3
191
195
none
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].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/33510
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