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The process of deriving an interatomic potentials represents an attempt to integrate out the electronic degrees of freedom from the full quantum description of a condensed matter system. In practice it is the derivatives of the interatomic…
An ensemble of classical subsystems interacting with surrounding particles has been considered. In general case, a phase volume of the subsystems ensemble was shown to be a function of time. The evolutional equations of the ensemble are…
Thermodynamic phase transitions, a central concept in physics and chemistry, are typically controlled by an interplay of enthalpic and entropic contributions. In most cases, the estimation of the enthalpy in simulations is straightforward…
The principal methods for the definition of thermodynamic entropy are discussed with special reference to those developed by Carath\'eodory, the Keenan School, Lieb and Yngvason, and the present authors. An improvement of the latter method…
We construct a configurational entropy measure in functional space. We apply it to several nonlinear scalar field models featuring solutions with spatially-localized energy, including solitons and bounces in one spatial dimension, and…
Internal energy, enthalpy and entropy are the key quantities to study thermodynamic properties of the moist atmosphere, because they correspond to the First (internal energy and enthalpy) and Second (entropy) Laws of thermodynamics. The aim…
The science of thermodynamics was put together in the Nineteenth Century to describe large systems in equilibrium. One part of thermodynamics defines entropy for equilibrium systems and demands an ever-increasing entropy for non-equilibrium…
On the assumption that experimentally validated tabulated thermodynamic properties of saturated fluids published by the National Institute of Standards and Technology are accurate, a theoretical thermodynamic cycle can be demonstrated that…
This chapter concerns "control volume analysis", the standard engineering tool for the analysis of flow systems, and its application to entropy balance calculations. Firstly, the principles of control volume analysis are enunciated and…
Rigorous estimates for the total - (kinetic) energy plus pressure - flux in R^3 are obtained from the three dimensional Navier-Stokes equations. The bounds are used to establish a condition - involving Taylor length scale and the size of…
The problem of energy and its localization in general relativity is critically re-examined. The Tolman energy integral for the Eddington spinning rod is analyzed in detail and evaluated apart from a single term. It is shown that a higher…
Through experimental investigation into the behaviour of a polar dielectric working fluid, an ideal quasi-thermodynamic cycle has been established. Particular stages of this cycle are described in terms of a condensed-matter analogue of the…
The limit of small entropy production is reached in relaxing systems long after preparation, and in stationary driven systems in the limit of small driving power. Surprisingly, for extended systems this limit is not in general the…
We derive expressions for the expectation values of the local energy and the local power transferred by an external electrical field to a many-particle system of interacting spinless electrons. In analogy with the definition of the (local)…
An alternative scenario for the glass transition based on the cooperative nature of nucleation processes and the role of entropic effects is presented. The new ingredient is to relate the dissipation during the relaxation process to the…
We regularize the potential distribution framework to calculate the excess free energy of liquid water simulated with the BLYP-D density functional. The calculated free energy is in fair agreement with experiments but the excess internal…
From thermodynamics point of view, in this era of aiming at energy conservation and sustainability, we need to develop more accurate ways to design thermal power, cooling and heat pump cycles. It has been the general practice in…
Entropy might be a not well defined concept if the system can undergo transformations involving stationary nonequilibria. It might be analogous to the heat content (once called ``caloric'') in transformations that are not isochoric (i.e.…
This paper is the second part of a previous paper (Marquet, 2019) dealing with the need to define the entropy with an absolute way, by using the third law of thermodynamics. In this second part it is shown that there is a need and interest…
A one-dimensional long-range model of classical rotators with an extended degree of complexity, as compared to paradigmatic long-range systems, is introduced and studied. Working at constant density, in the thermodynamic limit one can prove…