Phase diagram of flexible polymers with quenched disordered charged monomers

Rodrigues, Bruno Barbosa; Rocha, J. C. S.; Costa, B. V.

doi:10.1016/j.physa.2022.127787

Cited by 2 publications

(2 citation statements)

References 48 publications

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“…The red square stands for c V calculated via the Fisher zeros, equation (9). The inset shows the relative difference between the two values, see equation (28). The dotteddashed green line indicates β 1 from the zeros maps, the dashed blue line indicates βtan from the tangent line of double-touching tangent line construction, and the small dashed purple line indicates βin and the double-dotted-dashed magenta line indicates βtr , which will be discussed later.…”

Section: J Stat Mech (2024) 033201mentioning

confidence: 99%

“…This phenomenon is recognized as the saturation of the error between the calculated and the exact Ω(E), a concept first elucidated in [25]. Various improvements to the WL-method have been proposed; for instance, the 1/t-Wang-Landau approach [26][27][28] and the optimal modification factor [29]. Given the analogous behavior observed in the convergence patterns of simple sampling Monte Carlo and 1/t-Wang-Landau [30], we compare our results with those obtained by the regular Metropolis algorithm [31], as illustrated in figure 8.…”

Section: Conflict Of Interestmentioning

confidence: 99%

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Connecting the unstable region of the entropy to the pattern of the Fisher zeros map

Rocha,

Costa

2024

J. Stat. Mech.

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Phase transitions are one of the most interesting natural phenomena. For finite systems, one of the concerns in the topic is how to classify a specific transition as a being of first, second, or even of a higher order according to the Ehrenfest classification. The partition function provides all the thermodynamic information about the physical systems, and a phase transition can be identified using the complex temperature where it is equal to zero. In addition, the pattern of zeros in the complex temperature plane can provide evidence of the transition order. This manuscript presents an analytical and simulational study connecting the microcanonical analysis of the unstable region of the entropy to the canonical partition function zeros. We show that, for the first-order transition, the zeros accumulate uniformly in a vertical line on the complex inverse temperature plane as discussed in previous works. We illustrate our calculations using a 147 particles Lennard-Jones cluster.

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Section: J Stat Mech (2024) 033201mentioning

confidence: 99%

Section: Conflict Of Interestmentioning

confidence: 99%

Connecting the unstable region of the entropy to the pattern of the Fisher zeros map

Rocha,

Costa

2024

J. Stat. Mech.

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Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics

Williams

2023

Polymers

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This study investigates the density of states and structural characteristics of helical homopolymers. Comprising repeating identical units, the model enables the exploration of complex behaviors arising from a simple, yet generalized, set of potentials. Utilizing microcanonical analysis, transitions between helical structures are identified and categorized. Through a systematic comparison of results under varying conditions, we develop a nuanced understanding of the system’s general behavior. A two-dimensional plot illustrates the relative distribution of different structural types, effectively showcasing their prevalence. The findings of this study substantially advance our understanding of the density of states and structural transformations of helical homopolymers across a range of conditions. Additionally, the prevalence plot offers valuable insights into the occurrence of suppressed intermediate states, particularly in models featuring stiff helix segments. This research significantly enhances our understanding of the complex interactions governing helix bundling phenomena within the context of helical homopolymers.

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Phase diagram of flexible polymers with quenched disordered charged monomers

Cited by 2 publications

References 48 publications

Connecting the unstable region of the entropy to the pattern of the Fisher zeros map

Connecting the unstable region of the entropy to the pattern of the Fisher zeros map

Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics

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