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A Lattice Model of Vitrification and Gelation

Witman, Jennifer E. and Wang, Zhen-Gang (2006) A Lattice Model of Vitrification and Gelation. Journal of Physical Chemistry B, 110 (12). pp. 6312-6324. ISSN 1520-6106. doi:10.1021/jp051365e.

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In this work we introduce a simple lattice model with T-shaped molecules in two dimensions that exhibits a rich range of morphological behaviors. Depending on the volume fraction and quench path, this system can adopt uniform liquid, solution, and phase-separated states, as well as inhomogeneous glass or gel-like states, as revealed by dynamic mean-field simulations. An important characteristic of this system is the existence of a large number of degenerate low-energy states with small barriers that leads to a broad, kinetically explored landscape. The mean-field stability and phase diagram of this model is constructed and provides a useful guide for understanding the complex behaviors of the system. One striking feature is that there is a cascade of instabilities that converge to mark the onset of what we identify as the glass transition. Both dynamic mean-field and Monte Carlo simulations reveal glass-like relaxation dynamics. Our results lead to a picture of gelation as a continuation of the glass transition into the two-phase region, or equivalently, as an incomplete phase separation arrested by the onset of the glass transition.

Item Type:Article
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Wang, Zhen-Gang0000-0002-3361-6114
Additional Information:© 2006 American Chemical Society. Received 15 March 2005. Published online 4 March 2006. Published in print 1 March 2006. This research was supported in part by the National Science Foundation through the Center for the Science and Engineering of Materials.
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Issue or Number:12
Record Number:CaltechAUTHORS:20170606-105748587
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Official Citation:A Lattice Model of Vitrification and Gelation Jennifer E. Witman and Zhen-Gang Wang The Journal of Physical Chemistry B 2006 110 (12), 6312-6324 DOI: 10.1021/jp051365e
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:77967
Deposited By: Ruth Sustaita
Deposited On:06 Jun 2017 18:08
Last Modified:15 Nov 2021 17:35

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