Abstract

The topology of the free-energy landscape of a model system, which gives rise to multiple metastable states of hexatic smectic B (HexB) liquid crystals, is investigated using network theory. Directed and weighted networks of HexB states are constructed from a series of dynamical data calculated by constant-pressure and constant-temperature molecular dynamics simulations. The k-shell decomposition is extended to directed networks, and the networks of HexB metastable states are analyzed. Singular values of the weighted adjacency matrix, with elements consisting of the weight of the directed edge, are used to distinguish important vertices for evolution.

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