Structural relaxation of a gel modeled by three body interactions

We report a molecular dynamics simulation study of a model gel whose interaction potential is obtained by modifying the three body Stillinger-Weber model potential for silicon. The modification reduces the average coordination number and suppresses the liquid-gas phase coexistence curve. The low den...

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Veröffentlicht in:Physical review letters 2009-12, Vol.103 (24), p.248305-248305, Article 248305
Hauptverfasser: Saw, Shibu, Ellegaard, Niels L, Kob, Walter, Sastry, Srikanth
Format: Artikel
Sprache:eng
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Zusammenfassung:We report a molecular dynamics simulation study of a model gel whose interaction potential is obtained by modifying the three body Stillinger-Weber model potential for silicon. The modification reduces the average coordination number and suppresses the liquid-gas phase coexistence curve. The low density, low temperature equilibrium gel that can thus form exhibits interesting dynamical behavior, including compressed exponential relaxation of density correlations. We show that motion responsible for such relaxation has ballistic character, and arises from the motion of chain segments in the gel without the restructuring of the gel network.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.103.248305