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Mode coupling approach to the ideal glass transition of molecular liquids: Linear molecules

Schilling, Rolf and Scheidsteger, Thomas :
Mode coupling approach to the ideal glass transition of molecular liquids: Linear molecules.
[Online-Edition]
In: Physical Review E, 56 (3) pp. 2932-2949.
[Article], (1997)

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Item Type: Article
Title: Mode coupling approach to the ideal glass transition of molecular liquids: Linear molecules
Language: English
Abstract:

The mode coupling theory (MCT) for the ideal liquid glass transition, which was worked out for simple liquids mainly by Gotze, Sjogren, and their co-workers, is extended to a molecular liquid of linear and rigid molecules. By use of the projection formalism of Zwanzig and Mori an equation of motion is derived for the correlators S[sub lm,l[sup (prime)]m[sup (prime)]]([bold q],t) of the tensorial one-particle density rho [sub lm]([bold q],t), which contains the orientational degrees of freedom for l(greater-than)0. Application of the mode coupling approximation to the memory kernel results into a closed set of equations for S[sub lm,l[sup (prime)]m[sup (prime)]]([bold q],t), which requires the static correlators S[sub lm,l[sup (prime)]m[sup (prime)]]([bold q]) as the only input quantities. The corresponding MCT equations for the nonergodicity parameters f[sub l][sup m](q)(equivalent)f[sub lm,lm](q[bold e][sub 3]) are solved for a system of dipolar hard spheres by restricting the values for l to 0 and 1. Depending on the packing fraction cursive-phi and on the temperature T, three different phases exist: a liquid phase, where translational (TDOF's) (l=0) and orientational (ODOF's) (l=1) degrees of freedom are ergodic, a phase where the TDOF are frozen into a (nonergodic) glassy state, whereas the ODOF's remain ergodic, and finally a glassy phase where both, TDOF's and ODOF's, are nonergodic. From the nonergodicity parameters f[sub 0][sup 0](q) and f[sub 1][sup 1](q) for q=0, we may conclude that the corresponding relaxation strength of the alpha peak of the compressibility can be much smaller than the corresponding strength of the dielectric function.

Journal or Publication Title: Physical Review E
Volume: 56
Number: 3
Uncontrolled Keywords: cond-mat, Soft Condensed Matter, mode coupling theory, Gotze, Sjogren,projection formalism of Zwanzig and Mori, mode coupling approximation, nonergodicity parameter, translational, orientational degrees of freedom, memory kernel, dipolar hard spheres, packing fraction, static correlators
Alternative keywords:
Alternative keywordsLanguage
cond-mat, Soft Condensed Matter, mode coupling theory, Gotze, Sjogren,projection formalism of Zwanzig and Mori, mode coupling approximation, nonergodicity parameter, translational, orientational degrees of freedom, memory kernel, dipolar hard spheres, packing fraction, static correlatorsEnglish
Classification DDC: 500 Naturwissenschaften und Mathematik > 530 Physik
Divisions: Fachbereich Physik
Date Deposited: 17 Oct 2008 09:23
Last Modified: 07 Dec 2012 11:54
Official URL: http://ojps.aip.org/journal_cgi/getabs?KEY=PLEEE8&...
URN: urn:nbn:de:tuda-tuprints-11317
Additional Information:

PACS96: 61.20.Lc Time-dependent properties; relaxation PACS96: 61.25.Em Molecular liquids PACS96: 61.43.Fs Glasses

License: Creative Commons: Attribution-Noncommercial-No Derivative Works 3.0
Additional Information:

PACS96: 61.20.Lc Time-dependent properties; relaxation PACS96: 61.25.Em Molecular liquids PACS96: 61.43.Fs Glasses

URI: http://tuprints.ulb.tu-darmstadt.de/id/eprint/1131
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