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arXiv · 1808.00083

Unsupervised machine learning for detection of phase transitions in off-lattice systems II. Applications

R. B. Jadrich·B. A. Lindquist·W. D. Pineros·D. Banerjee·T. M. Truskett
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Abstract

We outline how principal component analysis (PCA) can be applied to particle configuration data to detect a variety of phase transitions in off-lattice systems, both in and out of equilibrium. Specifically, we discuss its application to study 1) the nonequilibrium random organization (RandOrg) model that exhibits a phase transition from quiescent to steady-state behavior as a function of density, 2) orientationally and positionally driven equilibrium phase transitions for hard ellipses, and 3) compositionally driven demixing transitions in the non-additive binary Widom-Rowlinson mixture.

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R. B. Jadrich, B. A. Lindquist, W. D. Pineros, D. Banerjee, T. M. Truskett. 2018-07-31. Unsupervised machine learning for detection of phase transitions in off-lattice systems II. Applications. https://doi.org/10.1063/1.5049850

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