The surface tensions of binary salt mixtures made up from NaCl and MgCl2 in aqueous solution were measured as a function of concentration and temperature. By analyzing the results, the thermodynamic quantities of surface formation such as entropy (Deltas), Helmholtz free energy (Deltaf), and energy of surface formation (Deltau) were evaluated. The Deltaf of the mixtures positively deviates from...

The Kelvin-Helmholtz instability in superfluids is discussed, based on the first experimental observation of such instability at the interface between superfluid He-A and superfluid He-B [1]. We discuss why the Kelvin-Helmholtz criterion, the Landau critical velocity for nucleation of ripplons, and the free energy consideration all give different values for the instability treshold. 1 Classical...

In continuum mechanics, the constitutive models are usually based on the Cauchy–Born (CB) hypothesis which seeks the intrinsic characteristics of the material via the atomistic information and it is valid in small deformation. The main purpose of this paper is to investigate the temperature effect on the stability and size-dependency of Cauchy–Born hypothesis. Three-dimensional temperature-rela...

The construction of regularization operators presented in this work is based on the introduction of strain or damage micromorphic degrees of freedom in addition to the displacement vector and of their gradients into the Helmholtz free energy function of the constitutive material model. The combination of a new balance equation for generalized stresses and of the micromorphic constitutive equati...

In this study, we develop a temperature-related Cauchy–Born (TCB) rule for multiscale modeling of crystalline solids based on the assumptions that deformation is locally homogeneous and atoms have the same local vibration mode. When employing the TCB rule in the nanoscale continuum approximation, the first Piola–Kirchhoff stress can be explicitly computed as the first derivative of the Helmholt...

The thermal relaxation of a dense gas described by the modified Enskog equation is studied for closed system in contact with heat bath. As case Boltzmann equation, Helmholtz free energy $ \mathcal{F} that decreases monotonically time found under conventional kinetic boundary condition satisfies Darrozes–Guiraud inequality. extension to Enskog–Vlasov also presented.

the acidity constants (pka) of thirty four (34) ;-substituted carboxylic acids in aqueous solution havebeen calculated using conductor-like polarizable continuum (c-pcm) solvation model. the gasphaseenergies at the density functional theory (dft-mpw1pw91) and solvation energies athartree fock (hf) are combined to estimate the pka values which are very close to the experimentalvalues where, and ...