Phase stability and electronic structure of Si2Sb2Te5 phase-change material

On the basis of an ab initio computational study, the present work provide a full understanding on the atomic arrangements, phase stability as well as electronic structure of Si₂Sb₂Te₅, a newly synthesized phase-change material. The results show that Si₂Sb₂Te₅ tends to decompose into Si₁Sb₂Te₄ or Si₁Sb₄Te₇ or Sb₂Te₃, therefore, a nano-composite containing Si₁Sb₂Te₄, Si₁Sb₄Te₇ and Sb₂Te₃ may be self-generated from Si₂Sb₂Te₅. Hence Si₂Sb₂Te₅ based nano-composite is the real structure when Si₂Sb₂Te₅ is used in electronic memory applications. The present results agree well with the recent experimental work.     

A Kantorovich-type convergence analysis of the Newton–Josephy method for solving variational inequalities

We present a Kantorovich-type semilocal convergence analysis of the Newton–Josephy method for solving a certain class of variational inequalities. By using a combination of Lipschitz and center-Lipschitz conditions, and our new idea of recurrent functions, we provide an analysis with the following advantages over the earlier works (Wang 2009, Wang and Shen, Appl Math Mech 25:1291–1297, 2004) (under the same or less computational cost): weaker sufficient convergence conditions, larger convergence domain, finer error bounds on the distances involved, and an at least as precise information on the location of the solution.     

Inhibition of methicillin resistant Staphylococcus aureus by a plasma needle

In numerous recent papers plasma chemistry of non equilibrium plasma sources operating at atmospheric pressure has been linked to plasma medical effects including sterilization. In this paper we present a study of the effectiveness of an atmospheric pressure plasma source, known as plasma needle, in inhibition of the growth of biofilm produced by methicillin resistant Staphylococcus aureus (MRSA). Even at the lowest powers the biofilms formed by inoculi of MRSA of 10⁴ and 10⁵ CFU have been strongly affected by plasma and growth in biofilms was inhibited. The eradication of the already formed biofilm was not achieved and it is required to go to more effective sources.     

Spin polarization and spin-dependent transmittance in II–VI diluted magnetic semiconductorheterostructure

In this work, we carried out detailed investigation of a Cd_1?xMn_xTe/CdTe/Cd_1?xMn_xTe diluted magnetic semiconductor based quantum well. Our theoretical results are based on an accurate self-consistent resolution of the one-dimension Schrödinger and Poisson’s equations in the framework of the mean-field approximation for spin-up and spin-down orientations of carriers coupled via the sp–d exchange interaction. From the calculation of spin-dependent carrier densities for ferromagnetic and anti-ferromagnetic coupling, we evidence the spin-up and spin-down space separation for holes in quantum well for different values of band offsets. From deduced spin polarizations, we show that the CdTe region acts as a layer of spin rearrangement and spin reversal, respectively, in the ferromagnetic and anti-ferromagnetic coupling. The transmittance coefficients T₊ and T_? of injected spin-up and spin-down carriers are evaluated as a preliminary work to assess the spin-dependent currents in devices consisting of alternatively layers of non-magnetic and diluted magnetic semiconductors.     

Electron energy spectrum and peculiarities of optical absorption in single-layer 2D structures based on silicon dioxide with surface functional groups

A calculation scheme based on density functional theory generalized to the case of periodic structures is used to calculate the electron energy spectrum and the imaginary part of the permittivity of single-layer 2D structures based on silicon dioxide with the surface functional groups X ≡ OH, CH₃, NH₂, NO₂, CHO, and COOH. The dependences of the energy corresponding to the energy-band edges, valence-band widths, and the positions of the characteristic peaks of the density of states on the degree of replacement by surface groups The peculiarities of the optical absorption bands in the absorbed photon energy region ?ω < 14 eV are revealed.     

Cauchy problem for the ellipsoidal BGK model for polyatomic particles

We establish the existence and uniqueness of mild solutions for the polyatomic ellipsoidal BGK model, which is a relaxation type kinetic model describing the evolution of polyatomic gaseous system at the mesoscopic level.     

Effects of Orange Leaves Extraction Conditions on Antioxidant and Phenolic Content: Optimization Using Response Surface Methodology

In the last few years, bioactive components or their extraction techniques are gaining special interest in scientific areas. In this framework, orange leaves were used for preparation of extracts with high content of biologically active compounds. To optimize the extraction process, three levels and three variables of Box–Behnken design with response surface methodology were applied. Investigated responses were the total phenolic content (TPC), 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical, cupric ion reducing antioxidant capacity (CUPRAC), and ferric reducing antioxidant power (FRAP). Independent variables were methanol concentration (10–90%), temperature (20–60°C), and extraction time (60–180?min). Experimentally obtained results were fit into a second-order polynomial model with multiple regression. Analysis of variance was used to estimate model fitness and determine optimal conditions for processing. Estimated optimal conditions were 90% methanolic solution, 60°C and 180?min using these parameters; the predicted values of investigated responses were 43.19?mg GAE/g (GAE: gallic acid equivalents), 43.04?mg TE/g (TE: trolox equivalents), 139.34 and 93.76?mg TE/g for TPC, DPPH, CUPRAC, and FRAP, respectively. The obtained optimal conditions could be considered as an alternative strategy for developing novel functional products.