Thermodynamic state
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The Noble-Abel Stiffened-Gas equation of state Open
Hyperbolic two-phase flow models have shown excellent ability for the resolution of a wide range of applications ranging from interfacial flows to fluid mixtures with several velocities. These models account for waves propagation (acoustic…
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Thermodynamic Uncertainty Relation for Time-Dependent Driving Open
Thermodynamic uncertainty relations yield a lower bound on entropy production in terms of the mean and fluctuations of a current. We derive their general form for systems under arbitrary time-dependent driving from arbitrary initial states…
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Thermodynamic Grain Size Stabilization Models: An Overview Open
Grain boundaries in a nanocrystalline microstructure produce an increase in the excess free energy of the system. Grain growth is a consequence of the thermodynamic driving force reducing this excess. Thermodynamic stabilization is an appr…
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Ruppeiner thermodynamic geometry for the Schwarzschild-AdS black hole Open
Due to the non-independence of entropy and thermodynamic volume for\nspherically symmetric black holes in the AdS spacetime, when applying the\nRuppeiner thermodynamic geometry theory to these black holes, we often\nencounter an unavoidabl…
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Thermodynamic Uncertainty Relation Bounds the Extent of Anomalous Diffusion Open
In a finite system driven out of equilibrium by a constant external force the thermodynamic uncertainty relation (TUR) bounds the variance of the conjugate current variable by the thermodynamic cost of maintaining the nonequilibrium statio…
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The reactants equation of state for the tri-amino-tri-nitro-benzene (TATB) based explosive PBX 9502 Open
The response of high explosives (HEs), due to mechanical and/or thermal insults, is of great importance for both safety and performance. A major component of how an HE responds to these stimuli stems from its reactant equation of state (EO…
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Generalized thermodynamic relations for a system experiencing heat and mass diffusion in the far-from-equilibrium realm based on steepest entropy ascent Open
This paper presents a nonequilibrium thermodynamic model for the relaxation of a local, isolated system in nonequilibrium using the principle of steepest entropy ascent (SEA), which can be expressed as a variational principle in thermodyna…
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Restricted thermodynamic fluctuations and the Ruppeiner geometry of black holes Open
Thermodynamic fluctuation metrics in Ruppeiner's formalism are worked out for\nKerr-AdS black holes in the extended state space. The implications of\nconstraints upon the state space geometry and their correspondence with\nthermodynamical …
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Thermodynamic efficiency of contagions: a statistical mechanical analysis of the SIS epidemic model Open
We present a novel approach to the study of epidemics on networks as thermodynamic phenomena, quantifying the thermodynamic efficiency of contagions, considered as distributed computational processes. Modelling SIS dynamics on a contact ne…
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Thermodynamics of concentration vs flux control in chemical reaction networks Open
We investigate the thermodynamic implications of two control mechanisms of open chemical reaction networks. The first controls the concentrations of the species that are exchanged with the surroundings, while the other controls the exchang…
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Intrinsic curvature of thermodynamic potentials for black holes with critical points Open
The geometry of thermodynamic state space is studied for asymptotically
\nanti-de Sitter black holes in D-dimensional space times. Convexity of thermodynamic
\npotentials and the analytic structure of the response functions is
\nanalysed. …
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Steepest-entropy-ascent model of mesoscopic quantum systems far from equilibrium along with generalized thermodynamic definitions of measurement and reservoir Open
This paper presents a nonequilibrium, first-principles,\nthermodynamic-ensemble based model for the relaxation process of interacting\nnon-equilibrium systems. This model is formulated using steepest-entropy-ascent\nquantum thermodynamics …
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Thermodynamics, contact, and density profiles of the repulsive Gaudin-Yang model Open
We address the problem of computing the thermodynamic properties of the repulsive one-dimensional two-component Fermi gas with contact interaction, also known as the Gaudin-Yang model. Using a specific lattice embedding and the quantum tra…
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Non-ideal oblique shock waves Open
From the analysis of the isentropic limit of weak compression shock waves, oblique shock waves in which the post-shock Mach number is larger than the pre-shock Mach number, named non-ideal oblique shocks, are admissible in substances chara…
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Computational and Experimental Assessment of a MW-Scale Supercritical CO2 Compressor Operating in Multiple Near-Critical Conditions Open
This work illustrates the results of a wide experimental campaign in the frame of the EU-funded project sCO2-Flex, which focused on the investigation of a MW-scale sCO2 compressor operating in plant-representative conditions. The experimen…
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From the Kinetic Theory of Gases to the Kinetics of Rate Processes: On the Verge of the Thermodynamic and Kinetic Limits Open
A variety of current experiments and molecular dynamics computations are expanding our understanding of rate processes occurring in extreme environments, especially at low temperatures, where deviations from linearity of Arrhenius plots ar…
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Thermolab: A Thermodynamics Laboratory for Nonlinear Transport Processes in Open Systems Open
We developed a numerical thermodynamics laboratory called “Thermolab” to study the effects of the thermodynamic behavior of nonideal solution models on reactive transport processes in open systems. The equations of the state of internally …
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Continuity of the entropy of macroscopic quantum systems Open
The proper definition of entropy is fundamental to the relationship between statistical mechanics and thermodynamics. It also plays a major role in the recent debate about the validity of the concept of negative temperature. In this paper,…
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Real Gas Thermodynamics: and the isentropic behavior of substances Open
A generalized isentropic gas model is derived following earlier work by Kouremenos et al. in the 1980s, by replacing the traditional adiabatic exponent γ by the real exponents γPv, γTv, and γPT, describing the isentropic pressure-volume, t…
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Thermodynamic modeling of hydrous-melt–olivine equilibrium using exhaustive variable selection Open
Water in silicate melt influences the phase relations of a hydrous-melt system. Given the importance of water in silicate melts, a quantitative thermodynamic understanding of the non-ideality of hydrous melt is necessary to properly model …
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Understanding the thermodynamic properties of insect swarms Open
Sinhuber et al. (Sci Rep 11:3773, 2021) formulated an equation of state for laboratory swarms of the non-biting midge Chironomus riparius that holds true when the swarms are driven through thermodynamic cycles by the application external p…
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Effect of Thermal Vacancy on Thermodynamic Behaviors in BCC W Close to Melting Point: A Thermodynamic Study Open
As temperature increases, the thermal vacancy concentration in pure metals dramatically increases and causes some strongly non-linear thermodynamic behaviors in pure metals when close to their melting points. In this paper, we chose body-c…
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On Equivalence of Nonequilibrium Thermodynamic and Statistical Entropies Open
We review the concept of nonequilibrium thermodynamic entropy and observables and internal variables as state variables, introduced recently by us, and provide a simple first principle derivation of additive statistical entropy, applicable…
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A thermodynamic description of the glass state and the glass transition Open
Many properties of solids, such as the glass state, hysteresis, and memory effects, are commonly treated as nonequilibrium phenomena, which involve numerous conceptual difficulties. However, few studies have addressed the problem of unders…
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Thermodynamically consistent versions of approximations used in\n modelling moist air Open
Some existing approaches to modeling the thermodynamics of moist air make\napproximations that break $\\textit{thermodynamic consistency}$, such that the\nresulting thermodynamics do not obey the 1st and 2nd laws or have other\ninconsisten…
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Melting behind the front of the shock wave Open
A simple caloric model of the equation of state is proposed to describe thermodynamic properties of solid materials with phase transitions with the minimum number of parameters as initial data. Thermodynamic characteristics are calculated …
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Fluctuation-dissipation relations for thermodynamic distillation processes Open
The fluctuation-dissipation theorem is a fundamental result in statistical physics that establishes a connection between the response of a system subject to a perturbation and the fluctuations associated with observables in equilibrium. He…
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Thermodynamic Modeling of Pure Co Accounting Two Magnetic States for the Fcc Phase Open
The thermodynamic functions of the pure Co were assessed using CALPAHD method for the third generation thermodynamic databases. To model the magnetic properties of the cobalt, a two-state magnetic model was accounted for the fcc phase. Cal…
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Predicting structural properties of fluids by thermodynamic extrapolation Open
We describe a methodology for extrapolating the structural properties of multicomponent fluids from one thermodynamic state to another. These properties generally include features of a system that may be computed from an individual configu…
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Thermodynamic modelling of vacancies as a constituent Open
The role of vacancies in thermodynamic models based on the compound energy formalism, CEF, is studied by application to a binary phase with two sublattices where the two components occupy one sublattice each. Vacancies were introduced in C…