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Special Issue "Applications of Statistical Thermodynamics"

A special issue of Entropy (ISSN 1099-4300).

Deadline for manuscript submissions: 30 June 2019

Special Issue Editor

Guest Editor
Prof. Dr. Nobumitsu Shohoji

LNEG - Laboratório Nacional de Energia e Geologia, LEN - Laboratório de Energia Estrada do Paço do Lumiar, 22 1649-038 Lisboa, Portugal
Website | E-Mail
Phone: +351 21 092 9600 (ext. 4234)
Interests: 1. Statistical thermodynamic analysis of non-stoichiometric interstitial compounds; 2. Synthesis of carbide, nitride and carbo-nitride (using concentrated solar beam as the heat source as well as using conventional electric furnace); 3. Formation and characterization of non-equilibrium solid phases

Special Issue Information

Dear Colleagues,

Statistical thermodynamics span the bridge between the visible macroscopic world and the invisible atomistic world to evaluate values of atomistic interaction parameters with unambiguous physical significance from measured values of state parameters, such as temperature, pressure and chemical composition under equilibrium state. Unlike conventional thermodynamics, in which entropy, enthalpy, and free energy are defined mathematically in terms of state parameters and thus applicable universally to any system, even without knowing exactly the nature of compound under consideration, statistical thermodynamic analysis must be started from unambiguous a priori modeling of compounds under consideration. When an unrealistic model is chosen at the onset of the statistical thermodynamic approach, the evaluated parameters are without valid physical significance. This inherent nature of the statistical thermodynamic approach might make use of this unique analysis tool somewhat difficult for experimentalists to use casually. However, there also lies a merit of this unique analysis tool to a provide feedback channel to check the validity of the a priori model with reference to the compatibility of the evaluated atomistic interaction parameter values with the macroscopic state parameter values.

The Guest Editor wishes this Special Issue will attract the attention of authors who have been working on entropy and enthalpy aspects of materials science, as well as physicists and chemists using statistical thermodynamics as an analysis tool.

Prof. Dr. Nobumitsu Shohoji
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Entropy is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Statistical thermodynamics
  • Entropy (configurational, electronic)
  • Enthalpy
  • Free Energy
  • Saddle point approach
  • Non-stoichiometry
  • Interstitial
  • Substitutional

Published Papers (2 papers)

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Research

Open AccessArticle
Entropy, Carnot Cycle, and Information Theory
Entropy 2019, 21(1), 3; https://doi.org/10.3390/e21010003
Received: 14 November 2018 / Revised: 3 December 2018 / Accepted: 18 December 2018 / Published: 20 December 2018
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Abstract
The fundamental intuition that Carnot had in analyzing the operation of steam machines is that something remains constant during the reversible thermodynamic cycle. This invariant quantity was later named “entropy” by Clausius. Jaynes proposed a unitary view of thermodynamics and information theory based [...] Read more.
The fundamental intuition that Carnot had in analyzing the operation of steam machines is that something remains constant during the reversible thermodynamic cycle. This invariant quantity was later named “entropy” by Clausius. Jaynes proposed a unitary view of thermodynamics and information theory based on statistical thermodynamics. The unitary vision allows us to analyze the Carnot cycle and to study what happens when the entropy between the beginning and end of the isothermal expansion of the cycle is considered. It is shown that, in connection with a non-zero Kullback–Leibler distance, minor free-energy is available from the cycle. Moreover, the analysis of the adiabatic part of the cycle shows that the internal conversion between energy and work is perturbed by the cost introduced by the code conversion. In summary, the information theoretical tools could help to better understand some details of the cycle and the origin of possible asymmetries. Full article
(This article belongs to the Special Issue Applications of Statistical Thermodynamics)
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Open AccessArticle
Concavity, Response Functions and Replica Energy
Entropy 2018, 20(12), 907; https://doi.org/10.3390/e20120907
Received: 28 October 2018 / Revised: 21 November 2018 / Accepted: 21 November 2018 / Published: 28 November 2018
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Abstract
In nonadditive systems, like small systems or like long-range interacting systems even in the thermodynamic limit, ensemble inequivalence can be related to the occurrence of negative response functions, this in turn being connected with anomalous concavity properties of the thermodynamic potentials associated with [...] Read more.
In nonadditive systems, like small systems or like long-range interacting systems even in the thermodynamic limit, ensemble inequivalence can be related to the occurrence of negative response functions, this in turn being connected with anomalous concavity properties of the thermodynamic potentials associated with the various ensembles. We show how the type and number of negative response functions depend on which of the quantities E, V and N (energy, volume and number of particles) are constrained in the ensemble. In particular, we consider the unconstrained ensemble in which E, V and N fluctuate, which is physically meaningful only for nonadditive systems. In fact, its partition function is associated with the replica energy, a thermodynamic function that identically vanishes when additivity holds, but that contains relevant information in nonadditive systems. Full article
(This article belongs to the Special Issue Applications of Statistical Thermodynamics)
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