Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2010-11-08
Physics
Condensed Matter
Soft Condensed Matter
6 pages
Scientific paper
Crystallization is observed during long molecular dynamics simulations of bent trimers, a molecular model proposed by Lewis and Wahnstr\"{o}m for ortho-terphenyl. In the crystal, the three spheres that make up the rigid molecule sit near sites of a body centered cubic lattice, the trimer bond angle being almost optimal for this structure. The crystal exhibits orientational disorder with the molecules aligned randomly along the three Cartesian axis (an example of cubatic orientational order). The rotational and translational mobilities exhibit only modest decreases on crystallization, by factors of 10 and 3 respectively. The rotational relaxation does change from Debye-like in the liquid to large angle jumps in the crystal. We consider the origin of the superior glass forming ability of the the trimer over the monatomic liquid.
Harrowell Peter
Hudson Toby S.
Pedersen Ulf R.
No associations
LandOfFree
Crystallization of the Lewis-Wahnström ortho-terphenyl model 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 Crystallization of the Lewis-Wahnström ortho-terphenyl model, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Crystallization of the Lewis-Wahnström ortho-terphenyl model will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-130696