Comparison of short-range-order in liquid- and rotator-phase states of a simple molecular liquid: A reverse Monte Carlo and molecular dynamics analysis of neutron diffraction data

descriptionPublicationkeyboard_double_arrow_right Article 11 Oct 2007 English Publisher:American Physical Society (APS)Journal:Physical Review B, volume 76 (issn: 1098-0121, eissn: 1550-235X,

Copyright policy )

Authors: Pardo, L. C.; Tamarit, J. L.; Veglio, N.; Bermejo, Francisco Javier; Cuello, G. J.;

doi: 10.1103/physrevb.76.134203

handle: 10261/140046

Comparison of short-range-order in liquid- and rotator-phase states of a simple molecular liquid: A reverse Monte Carlo and molecular dynamics analysis of neutron diffraction data

- Summary
- Metrics

Abstract

The short-range order (SRO) correlations in liquid- and rotator-phase states of carbon tetrachloride are revisited here. The correlation of some angular magnitudes is used to evaluate the positional and orientational correlations in the liquid as well as in the rotator phase. The results show significant similitudes in the relative position of the molecules surrounding a central one but striking differences in their relative orientations, which could explain the changes in SRO between the two phases and the puzzling behavior of the local density in the liquid and rotator phases. © 2007 The American Physical Society.

We would also like to acknowledge “Generalitat de Catalunya” Project No. 2005SGR- 00535 and MEC Project No. FIS2005-00975 for partial support of this work.

6 págs.; 6 figs.; 1 tab. ; PACS number s : 61.25.Em, 61.20. p, 61.43. j, 61.12. q

Peer Reviewed

Related Organizations

Universitat Politècnica de Catalunya
Spain

Impact byBIP!

	selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	24
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Top 10%
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Top 10%