Journal Article

PreJuSER-13112

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Microscopic structures and dynamics of high- and low-density liquid trans-1,2-dichloroethylene

Rovira-Esteva, M. ; Murugan, A. ; Pardo, L. C. ; Busch, S. ; Ruiz-Martin, M. D. ; Appavou, M.-S.FZJ* ; Tamarit, J. Ll. ; Smuda, C. ; Unruh, T.FZJ* ; Bermejo, F. J. ; Cuello, G. J. ; Rzoska, S. J.

2010
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/10954  doi:10.1103/PhysRevB.81.092202

Abstract: We present a study of the dynamics and structural changes for trans-1,2-dichloroethylene between high-and low-density liquids using neutron-scattering techniques (diffraction, small-angle neutron scattering, and time of flight spectroscopy) and molecular-dynamics simulations. We show that changes in the short-range ordering of molecules goes along with a change in the molecular dynamics: both structure and dynamics of the high-density liquid are more cooperative than those of the low-density liquid. The microscopic mechanism underlying the cooperative motions in the high-density liquid has been found to be related to the backscattering of molecules due to a strong correlation of molecular ordering.

Keyword(s): J

Note: The authors would like to thank C. A. Angell, G. Franzese, G. Sese, and Th. Strassle for helpful discussions and X. Ariza for deuterating the sample. This work was supported by the Spanish Ministry of Science and Technology (Grants No. FIS2008-00837 and No. BES-2007-17418), by the Government of Catalonia (Grant No. 2009SGR-1251) and by the European Commission MI3/FP7.

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Contributing Institute(s):

1. Streumethoden (IFF-4)
2. Neutronenstreuung (IFF-5)
3. JCNS (Jülich Centre for Neutron Science JCNS (JCNS) ; JCNS)

Research Program(s):

1. Großgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI) (P55)
2. BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung (P45)

Experiment(s):

1. KWS-2: Small angle scattering diffractometer (NL3ao)
2. TOFTOF: Cold neutron time-of-flight spectrometer (NL2au)

Appears in the scientific report 2010

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