Microcanonical inflection-point analysis via parametric curves and its relation to the zeros of the partition function

In statistical physics, phase transitions are arguably among the most extensively studied phenomena. In the computational approach to this field, the development of algorithms capable of estimating entropy across the entire energy spectrum in a single execution has highlighted the efficacy of microcanonical inflection point analysis, while Fisher's zeros technique has re-emerged as a powerful methodology for investigating these phenomena. This paper presents an alternative protocol for analyzing phase transitions using a parametrization of the entropy function in the microcanonical ensemble. We also provide a clear demonstration of the relation of the linear pattern of the Fisher's zeros on the complex inverse temperature map (a circle in the complex x=e^{-βɛ} map) with the order of the transition, showing that the latent heat is inversely related to the distance between the zeros. We study various model systems, including the Lennard-Jones cluster, the Ising, the XY, and the Zeeman models. By examining the behavior of thermodynamic quantities such as entropy and its derivatives in the microcanonical ensemble, we identify key features-such as loops and discontinuities in parametric curves-which signal phase transitions' presence and nature. This approach can facilitate the classification of phase transitions across various physical systems.

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Publication Details

Journal
Physical review. E
Published
2025-06-27
DOI
https://doi.org/10.1103/n6vd-ttx4
Primary Topic
Theoretical and Computational Physics
Type
article
Field-Weighted Citation Impact
0.00

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article

Microcanonical inflection-point analysis via parametric curves and its relation to the zeros of the partition function

Rodrigo Alves Dias, B. V. Costa, J. C. S. Rocha
Physical review. E
Theoretical and Computational Physics
article

Microcanonical inflection-point analysis via parametric curves and its relation to the zeros of the partition function

Rodrigo Alves Dias, B. V. Costa, J. C. S. Rocha
article en

Abstract

In statistical physics, phase transitions are arguably among the most extensively studied phenomena. In the computational approach to this field, the development of algorithms capable of estimating entropy across the entire energy spectrum in a single execution has highlighted the efficacy of microcanonical inflection point analysis, while Fisher's zeros technique has re-emerged as a powerful methodology for investigating these phenomena. This paper presents an alternative protocol for analyzing phase transitions using a parametrization of the entropy function in the microcanonical ensemble. We also provide a clear demonstration of the relation of the linear pattern of the Fisher's zeros on the complex inverse temperature map (a circle in the complex x=e^{-βɛ} map) with the order of the transition, showing that the latent heat is inversely related to the distance between the zeros. We study various model systems, including the Lennard-Jones cluster, the Ising, the XY, and the Zeeman models. By examining the behavior of thermodynamic quantities such as entropy and its derivatives in the microcanonical ensemble, we identify key features-such as loops and discontinuities in parametric curves-which signal phase transitions' presence and nature. This approach can facilitate the classification of phase transitions across various physical systems.

Physical review. EVol. 112(1)
Universidade Federal de Juiz de Fora (BR), Universidade Federal de Ouro Preto (BR), Universidade Federal de Minas Gerais (BR)
Conselho Nacional de Desenvolvimento Científico e Tecnológico
Reduced inequalities
Openalex Percentile: Top 91%
Theoretical and Computational Physics
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Microcanonical inflection-point analysis via parametric curves and its relation to the zeros of the partition function — Rodrigo Alves Dias, B. V. Costa, et al. · Physical review. E (2025) | TGRS Research Map | TGRS