Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability
Abstract
Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. Mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.
- Authors:
-
- Ames Laboratory–USDOE, Iowa State University, Ames, Iowa 50011 (United States)
- Publication Date:
- OSTI Identifier:
- 22415697
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 142; Journal Issue: 16; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANNIHILATION; EQUILIBRIUM; MEAN-FIELD THEORY; PARTICLES; PHASE RULE; PHASE STABILITY; PHASE STUDIES; PHASE TRANSFORMATIONS; TETRAGONAL LATTICES; THERMODYNAMICS; VACUUM STATES
Citation Formats
Wang, Chi-Jen, Department of Mathematics, Iowa State University, Ames, Iowa 50011, Liu, Da-Jiang, Evans, James W., Department of Mathematics, Iowa State University, Ames, Iowa 50011, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability. United States: N. p., 2015.
Web. doi:10.1063/1.4918908.
Wang, Chi-Jen, Department of Mathematics, Iowa State University, Ames, Iowa 50011, Liu, Da-Jiang, Evans, James W., Department of Mathematics, Iowa State University, Ames, Iowa 50011, & Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability. United States. https://doi.org/10.1063/1.4918908
Wang, Chi-Jen, Department of Mathematics, Iowa State University, Ames, Iowa 50011, Liu, Da-Jiang, Evans, James W., Department of Mathematics, Iowa State University, Ames, Iowa 50011, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011. 2015.
"Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability". United States. https://doi.org/10.1063/1.4918908.
@article{osti_22415697,
title = {Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability},
author = {Wang, Chi-Jen and Department of Mathematics, Iowa State University, Ames, Iowa 50011 and Liu, Da-Jiang and Evans, James W. and Department of Mathematics, Iowa State University, Ames, Iowa 50011 and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011},
abstractNote = {Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. Mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.},
doi = {10.1063/1.4918908},
url = {https://www.osti.gov/biblio/22415697},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 16,
volume = 142,
place = {United States},
year = {Tue Apr 28 00:00:00 EDT 2015},
month = {Tue Apr 28 00:00:00 EDT 2015}
}
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