We review and correct the classical critical exponents characterizing the transition from negative to positive black hole’s heat capacity at high charge– angular momentum. We discuss the stability properties of black holes as a thermodynamic system in equilibrium with a radiation bath (canonical ensamble) by using the Helmholtz free energy potential. We finally analytically extend the analysis ...

We develop a classical density functional theory (DFT) for two-site associating fluids in spatially homogeneous external fields which exhibit orientational inhomogeneities. The Helmholtz free-energy functional is obtained using Wertheim's thermodynamic perturbation theory and the orientational distribution function is obtained using DFT in the canonical ensemble. It is shown that an orientating...

In this study we used first-principles density functional theory to investigate the thermal and optical properties of graphene. Graphene phonon properties were first calculated by the density-functional perturbation theory and then used to acquire thermal properties such as the specific heat, free and total energy, and entropy, as well as the infrared and Raman spectra. Results show that the pe...

The Helmholtz free energy, energy, and entropy of mixing of eight different models of dimethyl sulfoxide (DMSO) with four widely used water models are calculated at 298 K over the entire composition range by means of thermodynamic integration along a suitably chosen thermodynamic path, and compared with experimental data. All 32 model combinations considered are able to reproduce the experiment...

In this article we introduce a new locking-free completely discontinuous formulation for Reissner–Mindlin plates that combines the discontinuous Galerkin methods with weakly over-penalized techniques. We establish a new discrete version of Helmholtz decomposition and some important residual estimates. Combining the residual estimates with enriching operators we derive an optimal a priori error ...

in the present research, in contrast to the available papers, not only the superelasticity but also the shape memory effects are taken into account in determination of the impact responses. at the same time, in addition to modifying brinson’s model for the shape memory alloys (smas), to include new parameters and loading events, and hertz contact law, distributions of the sma phases are conside...

The Bose-Einstein condensation (BEC) critical temperature in a relativistic ideal Bose gas of identical bosons, with and without the antibosons expected to be pair-produced abundantly at sufficiently hot temperatures, is exactly calculated for all boson number densities, all boson point rest masses, and all temperatures. The Helmholtz free energy at the critical BEC temperature is lower with an...

This work concerns the micromechanical constitutive modelling, algorithmic implementation and numerical simulation of polycrystalline superelastic alloys under multiaxial loading. The model is formulated in finite deformations and incorporates the effect of texture. The numerical implementation is based on the constrained minimization of the Helmholtz free energy with dissipation. Simulations a...

In the present research, in contrast to the available papers, not only the superelasticity but also the shape memory effects are taken into account in determination of the impact responses. At the same time, in addition to modifying Brinson’s model for the shape memory alloys (SMAs), to include new parameters and loading events, and Hertz contact law, distributions of the SMA phases are conside...

The Helmholtz free energy, F, plays an important role in proteins because of their rugged potential energy surface, which is 'decorated' with a tremendous number of local wells (denoted microstates, m). F governs protein folding, whereas differences DeltaF(mn) determine the relative populations of microstates that are visited by a flexible cyclic peptide or a flexible protein segment (e.g. a su...