Related papers: Liquid heat capacity in the approach from the soli…
We develop an approach to liquid thermodynamics based on collective modes. We perform extensive molecular dynamics simulations of noble, molecular and metallic liquids and provide the direct evidence that liquid energy and specific heat are…
The thermodynamic properties of the supercooled liquid state of the mW model of water show anomalous behavior. Like in real water, the heat capacity and compressibility sharply increase upon supercooling. One of the possible explanations of…
The kinetic energy is estimated for the ground-state of liquid $^3$He at equilibrium density. The obtained value for this quantity, $10.16\pm0.05$ K/atom at density $0.0163~\mbox{\AA}$, is in agreement with most of the experimental data…
The Heat theorem reveals the second law of equilibrium Thermodynamics (i.e.existence of Entropy) as a manifestation of a general property of Hamiltonian Mechanics and of the Ergodic Hypothesis, valid for 1 as well as $10^{23}$ degrees of…
Several thermodynamic properties of ice Ih, II, and III are studied by a quasi-harmonic approximation and compared to results of quantum path integral and classical simulations. This approximation allows to obtain thermodynamic information…
Water adopts many different crystal structures in its solid form. These provide insight into potential structures of water even in its liquid phase, and they can be used to calibrate pair potentials used for simulation of water. In crowded…
An analytical model of high frequency oscillations of the kinetic and potential energies in a one-dimensional harmonic crystal with a substrate potential is obtained by introducing the nonlocal energies [1]. A generalization of the kinetic…
Contrary to the case of solids and gases, where Debye theory and kinetic theory offer a good description for most of the physical properties, a complete theoretical understanding of the vibrational and thermodynamic properties of liquids is…
Providing students of introductory thermal physics with a plot of the heat capacities of many low density gases as a function of temperature allows them to look for systematic trends. Specifically, large amounts of heat capacity data allow…
Molecular simulation study of the heat capacity of metastable water between 100K and 300K Molecular simulations have been used to study the heat capacity of metastable liquid water at low temperature adsorbed on a smooth surface. These…
The Hamiltonian dynamics of a compressible inviscid fluid is formulated as a gauge theory. The idea of gauge equivalence is exploited to unify the study of apparantly distinct physical problems and solutions of new models can be generated…
Recent progress on molecular theories of hydration of nonpolar solutes in aqueous solution has led to new ways of thinking about the old issue of free, or "available," volume in liquids. This article surveys the principal new results with…
In Stochastic Thermodynamics, heat is a random variable with a probability distribution associated. Studies of the distribution of heat are mostly in the overdamped regime and in one dimension. Here we solve the heat distribution in the…
How high the temperature of a liquid be raised beyond its boiling point without vaporizing (known as the limit of superheat) is an interesting subject of investigation. A new method of finding the limit of superheat of liquids is presented…
Extensions to kinetic theory and hydrodynamic models are proposed that account for the existence of multi-particle contacts. In the presence of multi-particle contacts (involving elastic, reversible, potential contact energy), dissipation…
We take the perspective of open quantum systems and examine from their nonequilibrium dynamics the conditions when the physical quantities, their relations and the laws of thermodynamics become well defined and viable for quantum many body…
We are investigating the effective heat transfer in complex systems involving porous media and surrounding fluid layers in the context of mathematical homogenization. We differentiate between two fundamentally different cases: Case (a),…
The design and performance of liquid metal batteries, a new technology for grid-scale energy storage, depend on fluid mechanics because the battery electrodes and electrolytes are entirely liquid. Here we review prior and current research…
We consider a situation where an $N$-level system (NLS) is coupled to a heat bath without being necessarily thermalized. For this situation we derive general Jarzinski-type equations and conclude that heat and entropy is flowing from the…
The time-honored Allen-Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic broadening of vibrational normal modes. We demonstrate that…