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Monte Carlo simulation of the crystal to plastic crystal transition in carbon tetrachloride

✍ Scribed by S. Yashonath; C.N.R. Rao

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
500 KB
Volume
119
Category
Article
ISSN
0009-2614

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✦ Synopsis

The Metropolis Monk Carlo method in the isot.hermal Isobanc ensemble has been extended 10 enable study of phase wansirions in molecular systems. and used to imestigale the transition rrom the cryslalhne LO Ihe orienlalionally disordered (plaslic-crystnlline) phase or carbon telrachlotide. The problem or rotation or the cell has been examined The radial dlstnbulion runcdons. displays or the molecular arrangements in the crystal. and the cosine of Ihe angle bewxc.n the molecular C, axns and the crystallographic [loll dmcaion show clear evidence for the exis~nce of a trnnsirion around the temperature expected rrom cxperimems.

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