✦ LIBER ✦
Two- versus three-dimensional melting and spontaneous reversing isomerization in isolated SF6-(Ar)9 van der Waals clusters
✍ Scribed by John C. Shelley; Robert J. Le Roy; François G. Amar
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 796 KB
- Volume
- 152
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Molecular dynamics simulations for SF,-(Ar), clusters at effective temperatures in the range 5-45 K show that the system undergoes two different "melting" transitions, one at Tz I5 K marking the onset of Ar atom mobility wilhin a unimolecular layer around the SF6, and a second at Tz 35 K marking the onset of facile Ar atom motion out of and back into this layer. Moreover, on a narrow interval midway between these two points, the nine Ar atoms show a propensity for spontaneously isomerizing into and out of a long-lived near-rigid two-layer structure.