Neutron scattering and molecular correlations in a supercooled liquid

Details Neutron scattering and molecular correlations in a supercooled liquid Neutron scattering and molecular correlations in a supercooled liquid

1999-02-04

arxiv.org/abs/cond-mat/9902064v1

Phys.Rev.E 60, 740 (1999).

Physics

Condensed Matter

Statistical Mechanics

13 pages, 7 figures

Scientific paper

10.1103/PhysRevE.60.740

We show that the intermediate scattering function $S_n(q,t)$ for neutron scattering (ns) can be expanded naturely with respect to a set of molecular correlation functions that give a complete description of the translational and orientational two-point correlations in the liquid. The general properties of this expansion are discussed with special focus on the $q$-dependence and hints for a (partial) determination of the molecular correlation functions from neutron scattering results are given. The resulting representation of the static structure factor $S_n(q)$ is studied in detail for a model system using data from a molecular dynamics simulation of a supercooled liquid of rigid diatomic molecules. The comparison between the exact result for $S_n(q)$ and different approximations that result from a truncation of the series representation demonstrates its good convergence for the given model system. On the other hand it shows explicitly that the coupling between translational (TDOF) and orientational degrees of freedom (ODOF) of each molecule and rotational motion of different molecules can not be neglected in the supercooled regime.Further we report the existence of a prepeak in the ns-static structure factor of the examined fragile glassformer, demonstrating that prepeaks can occur even in the most simple molecular liquids. Besides examining the dependence of the prepeak on the scattering length and the temperature we use the expansion of $S_n(q)$ into molecular correlation functions to point out intermediate range orientational order as its principle origin.

Affiliated with

Also associated with

No associations

Rating

Neutron scattering and molecular correlations in a supercooled liquid 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 Neutron scattering and molecular correlations in a supercooled liquid, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Neutron scattering and molecular correlations in a supercooled liquid will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-231985