Thermodynamic theory of equilibrium fluctuations

DOI10.1016/J.AOP.2015.09.015zbMATH Open1360.80004OpenAlexW3101447922MaRDI QIDQ528239FDOQ528239

Authors Y. Mishin 

Publication date 12 May 2017

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

Full work available at URL https://arxiv.org/abs/1507.05662

zbMATH Keywords

entropyfluctuationthermodynamicsgrain boundarypre-melting

Mathematics Subject Classification ID

Random walks, random surfaces, lattice animals, etc. in equilibrium statistical mechanics (82B41) Classical and relativistic thermodynamics (80A10) Statistical thermodynamics (82B30)

Abstract: The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.

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Cited in

(15)

• Molecular systems with open boundaries: theory and simulation
• Extension of Kirkwood-Buff theory: partial enthalpies, fluctuations of energy density, temperature, and pressure, and solute-induced effects in a mixture solvent
• Fluctuations in molecular dynamics simulations
• Variance of the Casimir force in an ideal Bose gas
• Fluctuations of intensive quantities in statistical thermodynamics
• Ensemble transformation in the fluctuation theory
• How does pressure fluctuate in equilibrium?
• Counterfactual thermodynamics: extracting work from a lack of macroscopic change
• Description of stable chemical elements by an \(aF\) diagram and mean square fluctuations
• Thermodynamic origin of quantum time–energy uncertainty relation
• Effects of Gaussian thermal fluctuations on the thermodynamic of microtubules in Landau-Ginzburg-Wilson model
• Temperature in and out of equilibrium: a review of concepts, tools and attempts
• Equilibrium Thermodynamics
• Equivalence between finite state stochastic machine, non-dissipative and dissipative tight-binding and Schrödinger model
• On the speed of fluctuations around thermodynamic equilibrium

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