The new molecular-dynamics methods of Andersen and others have been used to study the structural phase transition that occurs in solid adamantane. While the transition between ordered and plastic-crystal phases is spontaneous on heating, cooling leads to metastable structures. The transition to the ordered phase can, however, be induced by extension to the complete molecular-dynamics sample of the short-range orientational correlations characteristic of the high-temperature phase.
Structural Transition on Cooling of Plastic Adamantane: A Molecular-Dynamics Study / Giovanni, Ciccotti; Ferrario, Mauro; Elisabetta, Memeo; Madeleine, Meyer. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 59:(1987), pp. 2574-2577. [10.1103/PhysRevLett.59.2574]
Structural Transition on Cooling of Plastic Adamantane: A Molecular-Dynamics Study
FERRARIO, Mauro;
1987
Abstract
The new molecular-dynamics methods of Andersen and others have been used to study the structural phase transition that occurs in solid adamantane. While the transition between ordered and plastic-crystal phases is spontaneous on heating, cooling leads to metastable structures. The transition to the ordered phase can, however, be induced by extension to the complete molecular-dynamics sample of the short-range orientational correlations characteristic of the high-temperature phase.
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