Microcanonical characterization of first-order phase transitions in a generalized model for aggregation

DOI10.1007/S10955-022-02880-ZMaRDI QIDQ2116504zbMATH OpenOpenAlexFDO

Authors L. F. Trugilho, Leandro G. Rizzi

Publication date 17 March 2022

Published in Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2112.06865

zbMATH Keywords

latent heatfirst-order phase transitionsaggregation modelfree-energy barriersmicrocanonical thermostatistics

Mathematics Subject Classification ID

Phase transitions (general) in equilibrium statistical mechanics (82B26) Statistical thermodynamics (82B30) Disordered systems (random Ising models, random Schrödinger operators, etc.) in equilibrium statistical mechanics (82B44)

Abstract: Aggregation transitions in disordered mesoscopic systems play an important role in several areas of knowledge, from materials science to biology. The lack of a thermodynamic limit in systems that are intrinsically finite makes the microcanonical thermostatistics analysis, which is based on the microcanonical entropy, a suitable alternative to study the aggregation phenomena. Although microcanonical entropies have been used in the characterization of first-order phase transitions in many non-additive systems, most of the studies are only done numerically with aid of advanced Monte Carlo simulations. Here we consider a semi-analytical approach to characterize aggregation transitions that occur in a generalized model related to the model introduced by Thirring. By considering an effective interaction energy between the particles in the aggregate, our approach allowed us to obtain scaling relations not only for the microcanonical entropies and temperatures, but also for the sizes of the aggregates and free-energy profiles. In addition, we test the approach commonly used in simulations which is based on the conformational microcanonical entropy determined from a density of states that is a function of the potential energy only. Besides the evaluation of temperature versus concentration phase diagrams, we explore this generalized model to illustrate how one can use the microcanonical thermostatistics as an analysis method to determine experimentally relevant quantities such as latent heats and free-energy barriers of aggregation transitions.

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Cites work

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• Multicanonical simulations step by step
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• Phase transitions in Thirring's model

Cited in

(4)

• Modified Thirring model beyond the excluded-volume approximation
• Lifetime of locally stable states near a phase transition in the Thirring model
• Microcanonical thermostatistics analysis without histograms: Cumulative distribution and Bayesian approaches
• Kinetics of first-order phase transitions from microcanonical thermostatistics

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