1-Soliton solution of the generalized Burgers equation with generalized evolution

The generalized Burgers equation with generalized evolution is studied in this paper. The soliton ansatz is used to carry out the integration of this generalized Burgers equation. This study is then extended to 1+2 dimensions, even with full nonlinearity.     

Ba2F2Fe2+ 0.5Fe3+ S3: a two-dimensional inhomogeneous mixed valence iron compound

The structure of the new mixed valence compound Ba2F2Fe1.5S3 was solved by means of single crystal X-ray analysis. It crystallizes in an orthorhombic cell, in the Pnma space group with the cell parameters a = 12.528(3) A, b = 18.852(4) A, and c = 6.0896(12) A. The structure is formed by the alternated stacking of fluorite type [Ba2F2]2+ blocks and the newly discovered [Fe1.5S3]2- blocks. This [Fe1.5S3]2- block exhibits a mixed valence of iron with Fe(+II) located in octahedrons and Fe(+III) in tetrahedrons. Preliminary susceptibility measurements suggest a low dimensional antiferromagnetic behavior.     

Electronic states of MgO: Spectroscopy, predissociation, and cold atomic Mg and O production

We used multiconfigurational methods and a large basis set to compute the potential energy curves of the valence and valence-Rydberg electronic states of MgO molecule. New bound electronic states are found. Using these highly correlated wave functions, we evaluated their mutual spin-orbit couplings and transition moment integrals. For the bound electronic states of MgO, we deduced an accurate set of spectroscopic constants that agree remarkably well with experimental results. Moreover, our potentials, transition moments, and spin-orbit coupling evolutions are incorporated into Fermi golden rule calculations to deduce the radiative lifetimes of MgO(B?(1)Σ(+)) rovibrational levels and the natural lifetimes of MgO(A?(1)Π) vibrational levels, where a good agreement is found with experimental values. Finally, we suggest new routes for the production of cold Mg and O atoms and cold MgO molecules.     

Inhibitive effect by extract of Mentha rotundifolia leaves on the corrosion of steel in 1 M HCl solution

An extract of Mentha rotundifolia leaves (EMRL) was tested as a corrosion inhibitor of steel in 1 M HCl using electrochemical impedance spectroscopy, Tafel polarization methods, and weight loss measurements. The inhibition efficiency of the extract of Mentha rotundifolia leaves was calculated and compared. We note good agreement between these methods. The results obtained revealed that the inhibitor tested differently reduced the kinetics of the corrosion process of steel. Its efficiency increases with the concentration and attained 92.87 % at 35 %. The effect of temperature on the corrosion behavior of steel in 1 M HCl was also studied in the range 298 and 338 K. The thermodynamic data of activation were determined. Mentha rotundifolia extract is adsorbed on the steel surface according to a Langmuir adsorption model.     

Two‐Orbital Three‐Electron Stabilizing Interaction for Direct Co2+?As3+ Bonds involving Square‐Planar CoO4 in BaCoAs2O5

The quest for new oxides with cations containing active lone‐pair electrons (E) covers a broad field of targeted specificities owing to asymmetric electronic distribution and their particular band structure. Herein, we show that the novel compound BaCoAs₂O₅, with lone‐pair As³⁺ ions, is built from rare square‐planar Co²⁺O₄ involved in direct bonding between As³⁺E and Co²⁺ d_z2 orbitals (Co As=2.51 Å). By means of DFT and Hückel calculations, we show that this σ‐type overlapping is stabilized by a two‐orbital three‐electron interaction allowed by the high‐spin character of the Co²⁺ ions. The negligible experimental spin‐orbit coupling is expected from the resulting molecular orbital scheme in O₃AsE–CoO₄ clusters.     

Electronic structure of the [MgO3]+ cation

Accurate ab initio calculations are performed to investigate the stable isomers of [MgO(3)](+) and its lowest electronic states at both molecular and asymptotic regions. The calculations are done using large basis sets and configuration interaction methods including the complete active space self-consistent field, the internally contracted multi-reference configuration interaction, the standard coupled cluster (RCCSD(T)) approaches and the newly implemented explicitly correlated coupled cluster method (RCCSD(T)-F12). The presence of three stable forms is predicted: a cyclic global minimum c-MgO(3)(+), which is followed by a quasi-linear isomer, l2-MgO(3)(+). A third isomer of C(s) symmetry (l1-MgO(3)(+)) is also found. Moreover, we computed the one-dimensional cuts of the six-dimensional potential energy surfaces of the lowest doublet and quartet electronic states of [MgO(3)](+) along the R(MgO) and R(OO) stretching coordinates covering both the molecular and the asymptotic regions. These curves are used later for discussing the metastability of this cation and to propose plausible mechanisms for the Mg(+) + O(3) atmospherically important ion-molecule reaction and related reactive channels.     

Effects of temperature and Nd composition on non-linear transport properties in substituted Ce1−xNdxO2−δ cerium dioxides

Cerium dioxides doped or substituted by neodymium have been prepared using low- (320°C) and high-temperature (1600°C) processes. The Nd substituted ceria phase obtained at high temperature is a solid solution Ce_1−xNd_xO_2−δ 0?x?0.30. Electrical impedance spectroscopy analyses have been performed in the temperature range 40-700°C. At temperatures above 400°C, Nyquist representations allow to separate three signals corresponding to bulk, grain boundary and electrode responses. Non-linear variations of the resistance and the capacitance as functions of temperature and composition x are observed. In the case of grain boundary and electrode interface signals, constant phase elements with non-integer exponent n have been used to represent the equivalent circuits. For each contribution, the conductance strongly increases then reaches a limit value, above x=0.10. When composition x increases, the condensation of Nd-vacancy defect clusters might be at the origin of the non-linear evolution of the conductance. Bulk and grain boundary conductions present different activation energies (0.7 and 1.3 eV).     

Nonstoichiometric oxides with a layer structure: The compounds A1−x(Ti1−xM1+x)O5

New nonstoichiometric oxides A_1?x(Ti_1?xNb_1+x)O₅ and tantalates ATiTaO₅ with a layer structure of the KTiNbO₅ type have been isolated, with A = K, Rb, Tl, Cs. These oxides, which are orthorhombic, space group Pnma, are characterized by a preferential occupation of one type of site 4c by the titanium atoms. The structural evolution as a function of composition and the stability of these compounds are discussed.     

1-Soliton solution of the D(m, n) equation with generalized evolution

This paper obtains the 1-soliton solution of the nonlinear dispersive Drinfel’d-Sokolov equation with power law nonlinearity. In the first case the soliton solution is without the generalized evolution. The solitary wave ansatz method is used to carry out the integration. Subsequently, the He’s semi-inverse variational principle is used to integrate the equation with power law nonlinearity. Parametric conditions for the existence of envelope solitons are given.