Related papers: Supercooled Water: Contradiction to Thermodynamics
The controversial existence of negative temperatures has stirred interesting debates that have reached the foundations of thermodynamics, including questions on the second law, the Carnot efficiency and the statistical definition of…
The thermal conductivity of water features a maximum (TCM) as a function of temperature at constant pressure. By examining why molecular force fields succeed or fail to reproduce the maximum and interpreting our results using the Bridgman…
Do negative absolute temperatures matter physics and specifically Statistical Physics? We provide evidence that we can certainly answer positively to this vexata quaestio. The great majority of models investigated by statistical mechanics…
Thermodynamics is usually developed starting from entropy and the maximum entropy principle. We investigate here to what extent one can replace entropy with relative entropy which has several advantages, for example in the context of local…
The thermodynamic liquid-state anomalies and associated structural changes of the Stillinger-Weber family of liquids are mapped out as a function of the degree of tetrahedrality of the interaction potential, focusing in particular on…
We formulate a microscopic, no adjustable parameter, theory of activated relaxation in supercooled liquids directly in terms of the repulsive and attractive forces within the framework of pair correlations. Under isochoric conditions,…
The maximum entropy principle determines the values of thermodynamic variables in thermally isolated equilibrium systems. This paper extends the principle to a variational principle that applies to liquid-gas coexistence in heat conduction.…
We investigate the temperature dependence of thermodynamic (density, isobaric heat capacity), dynamical (self-diffusion coefficient, shear viscosity), and dielectric properties of several water models, the commonly employed TIP3P water…
Steady nonequilibria dissipate energy and, when changing external parameters, an extra or excess heat accompanies the relaxation to the new nonequilibrium condition. For nonequilibrium systems in contact with a thermal bath, the heat…
We analyze thermodynamics of water samples confined in nanopores and prove that although the freezing temperature can be dramatically lower, the suppression of the ice nucleation leading to the freezing temperature depression is a truly…
A corollary of the third law of thermodynamics is that the heat capacities of a system approach zero as the temperature approaches absolute zero Kevin. Many have attempted to take the corollary as the third law, but two counterexamples has…
We study the phase diagram of a system of spherical particles interacting in three dimensions through a potential consisting of a strict hard core plus a linear repulsive shoulder at larger distances. The phase diagram (obtained…
In our recent letter [1] we discussed that thermodynamics is violated in quantum Brownian motion beyond the weak coupling limit. In his comment, Tasaki [2] derives an inequality for the relative entropy and claims, without making any…
Quantum systems strongly coupled to many-body systems equilibrate to the reduced state of a global thermal state, deviating from the local thermal state of the system as it occurs in the weak-coupling limit. Taking this insight as a…
We establish three partial differential equation models describing the thermodynamics of the fluid, by combining the energetic variational approach, appropriate constitutive relations, and classical thermodynamics laws. What is more, by…
Thermodynamic properties of the ST2 model for supercooled liquid water exhibit anomalies similar to those observed in real water. A possible explanation of these anomalies is the existence of a metastable, liquid-liquid transition…
The linear response to temperature changes is derived for systems with overdamped stochastic dynamics. Holding both in transient and steady state conditions, the results allow to compute nonequilibrium thermal susceptibilities from…
Water displays breakdown of the Stokes-Einstein relation at low temperatures. We hypothesize that the breakdown is a result of the structural changes and a sharp rise in dynamic heterogeneities that occurs low T upon crossing the Widom…
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 mean kinetic energy of protons in water is determined by Deep Inelastic Neutron Scattering experiments, performed above and below the temperature of maximum density and in the supercooled phase. The temperature dependence of this energy…