We consider an Euler system with dynamics generated by a potential energy functional. We propose a form for the relative energy that exploits the variational structure and derive a relative energy identity. When applied to specific energies, this yields relative energy identities for the Euler-Korteweg, the Euler-Poisson, the Quantum Hydrodynamics system, and low order approximations of the Eul...

2014 In this paper we present a unified description of the interactions in liquid isotropic and liquid crystal phases of microemulsions. A microscopic model taking into account the entropic, bending and interaction free energies is used to deduce theoretical phase diagrams and the relative stability of the isotropic (microemulsion), lamellar and hexagonal phases is discussed. J. Physique 47 (19...

in this study, kinetics and mechanism of the sulfur dioxide adsorption on the single-walled carbon nanotubes (cnt) are investigated. three single-walled carbon nanotubes, including the armchair (6,6), chiral (6,5) and zigzag (6,0) cnts were chosen as the models and the different orientations of so2 molecule relative to the cnt axis were considered. the b3lyp functional within the 6-31g(d) basis...

The relative stability and charge-transfer behavior of C3B ordered phases were investigated using the ab initio pseudopotential method. The total energies as well as the cohesive energies of four possible ordered structures of the C3B were calculated at 0 K by relaxing both the unit-cell parameters and the local atomic positions. Among them, the one with the hexagonal symmetry was found to have...

We examine the relative stability and adhesion of nonstoichiometric (polar) Al/WC interfaces and WC(0001) surfaces using Density Functional Theory as implemented in a planewave, pseudopotential formalism. Relaxed atomic geometries and the ideal work of adhesion were calculated for six different interfacial structures, taking into account both Wand C-terminations of the carbide. Based on the sur...

We present a comparative density functional theory (DFT) and density functional tight binding (DFTB) study of structures, energetics, vibrational properties as well as electronic structures of the four crystalline phases of polyvinylidene fluoride (PVDF) with different types of defects. For pure phases, the relative energies of PVDF strands (i.e. absent van der Walls bonding) agree well between...

in this research dft/b3lyp method has been employed to investigate the geometrical structures,relative stabilities, and electronic properties of cun (n=3–10) clusters for clarifying the effect of sizeon the properties. through a careful analysis of the successive binding energies, second-orderdifference of energy and the highest occupied-lowest unoccupied molecular orbital energy gaps as afunct...

In this study, kinetics and mechanism of the sulfur dioxide adsorption on the single-walled carbon nanotubes (CNT) are investigated. Three single-walled carbon nanotubes, including the armchair (6,6), chiral (6,5) and zigzag (6,0) CNTs were chosen as the models and the different orientations of SO2 molecule relative to the CNT axis were considered. The B3LYP functional within the 6-3...