Symmetry in Order-Disorder Changes of Molecular Clusters

Details Symmetry in Order-Disorder Changes of Molecular Clusters Symmetry in Order-Disorder Changes of Molecular Clusters

1999-11-21

arxiv.org/abs/physics/9911049v1

Physics

Atomic and Molecular Clusters

15 pages, RevTeX

Scientific paper

The dynamic orientational order-disorder transition of clusters consisting of octahedral molecules is formulated in terms of symmetry-adapted rotator functions. The transition from a higher-temperature body-centered-cubic, orientationally disordered phase to a lower-temperature, monoclinic, orientationally-ordered phase is a two-step process. The higher-temperature transition has two local minima in the free energy, like a finite-system counterpart of a first-order transition. Simulations show the lower-temperature transition is continuous. The analytic theory predicts a temperature of 27K for this transition, for a 59-molecule cluster of tellurium hexafluoride in a good agreement with the ~30K result of canonical Monte Carlo calculations.

Affiliated with

Also associated with

No associations

Rating

Symmetry in Order-Disorder Changes of Molecular Clusters does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Symmetry in Order-Disorder Changes of Molecular Clusters, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Symmetry in Order-Disorder Changes of Molecular Clusters will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-197063