Computer simulation study of the Rayleigh light scattering in the isotropic phase of PCH5

Yakovenko, Sergei Ye.; Muravski, Anatoli A.; Eikelschulte, Frank; Geiger, Alfons
December 1996
Journal of Chemical Physics;12/22/1996, Vol. 105 Issue 24, p10766
Academic Journal
Configurations of 200 p-n-pentyl-(p-cyanophenyl)-cyclohexane (PCH5) molecules from molecular dynamics simulations were used to calculate the Rayleigh light scattering spectra of the isotropic phase. The interaction induced contribution is calculated to the first order dipole-induced dipole terms in the point molecular polarizability approximation. The effect of the size of the simulated system is checked from different points of view. Molecular flexibility is explicitly taken into account and comparisons in terms of time correlation functions are performed. In contrast to systems of small-sized molecules no cancellation effect is observed for the interaction induced contribution to the scattered light intensities of this mesogen. Studies of the different contributions induced by the isotropic and the anisotropic part of the molecular polarizability, evidenced the negligibility of the second one and showed the importance of orientational-translational intermolecular correlations for spectra formation in mesogen systems. The problem of comparing anisotropic and isotropic components of Rayleigh spectra is outlined.


Related Articles

  • Computer simulation study of the Rayleigh and Raman spectra of fluid N2. Mueller, Andreas; Steele, W. A.; Versmold, H. // Journal of Chemical Physics;10/1/1993, Vol. 99 Issue 7, p4993 

    Computer simulations of the Rayleigh and Raman spectral time-correlation functions (TCFs) are reported for N2 at 323 K and densities ranging from 0.48 to 2.5 times the critical value. The results are compared with experiment. Particular attention is paid to the density dependence of the spectral...

  • Numerical simulation of Bragg scattering of sound by surface roughness for different values of the Rayleigh parameter. Salin, M.; Dosaev, A.; Konkov, A.; Salin, B. // Acoustical Physics;Jul2014, Vol. 60 Issue 4, p442 

    Numerical simulation methods are described for the spectral characteristics of an acoustic signal scattered by multiscale surface waves. The methods include the algorithms for calculating the scattered field by the Kirchhoff method and with the use of an integral equation, as well as the...

  • Simulation of resonance hyper-Rayleigh scattering of molecules and metal clusters using a time-dependent density functional theory approach. Zhongwei Hu; Autschbach, Jochen; Jensen, Lasse // Journal of Chemical Physics;9/28/2014, Vol. 141 Issue 12, p1 

    Resonance hyper-Rayleigh scattering (HRS) of molecules and metal clusters have been simulated based on a time-dependent density functional theory approach. The resonance first-order hyperpolarizability (β) is obtained by implementing damped quadratic response theory using the (2n + 1) rule....

  • EXPERIMENTAL AND THEORETICAL STEPS TO UNDERSTAND SIDE-EMITTING FIBERS. Fischer, J.; Surkova, G.; Poisel, H.; Ziemann, O.; Bachmann, A.; Zadorin, A. // International Conference on POF Proceedings;2012, p120 

    In this paper recent experimental results on measuring the meridional angular dependence of different side-emitting fiber types are shown and compared with simulations. For the measurements a modified experimental setup (cf. [1]) is used. The various effects, causing side-emitted light, are for...

  • Rayleigh-type parametric chemical oscillation. Ghosh, Shyamolina; Ray, Deb Shankar // Journal of Chemical Physics;2015, Vol. 143 Issue 12, p1 

    We consider a nonlinear chemical dynamical system of two phase space variables in a stable steady state. When the system is driven by a time-dependent sinusoidal forcing of a suitable scaling parameter at a frequency twice the output frequency and the strength of perturbation exceeds a...

  • Computer simulation of partitioning of ten pentapeptides Ace-WLXLL at the cyclohexane/water and phospholipid/water interfaces. Aliste, Marcela P; Tieleman, D Peter // BMC Biochemistry;2005, Vol. 6, p30 

    Background: Peptide-membrane interactions play a key role in the binding, partitioning and folding of membrane proteins, the activity of antimicrobial and fusion peptides, and a number of other processes. To gain a better understanding of the thermodynamics of such interactions, White and Wimley...

  • The Dirac Coulomb Green’s function and its application to relativistic Rayleigh scattering. Wong, M. K. F.; Yeh, E. H. Y. // Journal of Mathematical Physics;Jul85, Vol. 26 Issue 7, p1701 

    The Dirac Coulomb Green's function is obtained in both coordinate and momentum space. The Green's function in coordinate space is obtained by the eigenfunction expansion method in terms of the wave functions obtained by Wong and Yeh. The result is simpler than those obtained previously by other...

  • Light Scattering by Multilayer Nonconfocal Ellipsoids in the Rayleigh Approximation. Farafonov, V. G. // Optics & Spectroscopy;Apr2001, Vol. 90 Issue 4, p574 

    The Rayleigh approximation of light scattering by multilayer nonconfocal coaxial ellipsoids is constructed. The ellipsoids that form a multilayer particle have coincident centers, and their principal axes are parallel. A particle in a constant electric field is considered, and the corresponding...

  • On the Einstein relation for a mechanical system. Boldrighini, C.; Soloveitchik, M. // Probability Theory & Related Fields;1997, Vol. 107 Issue 4, p493 

    We consider a mechanical model in the plane, consisting of a vertical rod, subject to a constant horizontal force f and to elastic collisions with the particles of a free gas which is “horizontally” in equilibrium at some inverse temperature β. In a previous paper we proved that,...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics