Solvent effect on the linkage isomerism in [Fe(CO)4(NCS)]− and [Fe(CO)4(SCN)]− anions: A theoretical investigation

The present study illustrated the stability of linkage isomers of [Fe(CO)₄(NCS)]^? and [Fe(CO)₄(SCN)]^? by the use of PBE quantum method. It also investigated the polarity of solvent effect on dipole moment, structural parameters, and frontier orbital energies of complexes. The results indicated that the polarity of solvent had a significant effect on the frontier orbital energies and HOMO-LUMO gap. The character of Fe-C bonds of molecules was analyzed by Natural bond orbital (NBO) analysis. Back-bonding effect in these bonds was explored with calculation of quadrupole polarization of carbon atom by QTAIM analysis. Also, ¹⁴N NQR parameters were used for the illustration of Fe-NCS and Fe-SCN bonds.     

Simulation of viscoelastic fluids in a 2D abrupt contraction by spectral element method

This study presents the vortex structure and numerical instability increase occurring when the level of elasticity is enhanced in inertial flows in planar contraction configuration for finitely extensible nonlinear elastic model by Peterlin (FENE‐P) fluid 1 . The re‐entrant corner effect on corner vortices is also considered. The calculations are performed using extended matrix logarithm formulation described in a previous paper: A. Jafari et al. A new extended matrix logarithm formulation for the simulation of viscoelastic fluids by spectral elements. Computer & Fluids 2010; 39 (9):1425–1438. In that reference, the proposed algorithm has been tested for simple geometry such as Poiseuille flow. In this study, we are interested in the capability of this algorithm for more complex geometry. This formulation helps to reach higher values of the Weissenberg number when compared with the classical one. Copyright © 2015 John Wiley & Sons, Ltd.     

On pre-Λ-Sets and pre-v-Sets

We introduce the notions of a pre--set and a pre-V-set in a topological space. We study the fundamental properties of pre--sets and pre-V-sets and investigate the topologies defined by these families of sets.     

Some properties of almostS-continuous functions

Noiri et al. in [16] introduced and investigated the notion of almosts-continuous functions. The object of this paper is to investigate some more properties of this type of functions.     

Circumferential resonance modes of solid elastic cylinders excited by obliquely incident acoustic waves

When an immersed solid elastic cylinder is insonified by an obliquely incident plane acoustic wave, some of the resonance modes of the cylinder are excited. These modes are directly related to the incidence angle of the insonifying wave. In this paper, the circumferential resonance modes of such immersed elastic cylinders are studied over a large range of incidence angles and frequencies and physical explanations are presented for singular features of the frequency-incidence angle plots. These features include the pairing of one axially guided mode with each transverse whispering gallery mode, the appearance of an anomalous pseudo-Rayleigh in the cylinder at incidence angles greater than the Rayleigh angle, and distortional effects of the longitudinal whispering gallery modes on the entire resonance spectrum of the cylinder. The physical explanations are derived from Resonance Scattering Theory (RST), which is employed to determine the interior displacement field of the cylinder and its dependence on insonification angle.     

Investigating the effect of nanolayered silicates on blend segmental dynamics and minor component relaxation behavior in poly(ethylene oxide)/poly(methyl methacrylate) miscible blends

Polymer–silicate nanocomposites based on poly (ethylene oxide), PEO, poly(methyl methacrylate), PMMA, and sodium montmorillonite clay were fabricated and characterized to investigate the effect of nanolayered silicates on segmental dynamics of PEO/PMMA blends. X‐ray results indicate the formation of an exfoliated morphology in the nanocomposites. At low silicate contents, an enhancement in segmental dynamics of blend nanocomposites and also PEO, minor component in blend, is observed at temperature region below blend glass transition. This result can be attributed to the improvement of the confinement effect of rigid PMMA matrix on the PEO chains by introducing a low amount of layered silicates. On the other hand, at high silicate contents, an enhancement in segmental dynamics of blend nanocomposites and PEO is observed at temperature region above blend glass transition. This behavior could be interpreted based on the reduction of monomeric friction between two polymer components, which can facilitate segmental motions of blend components in nanocomposite systems. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011     

Hardness and refractive index of Ca–Si–O–N glasses

Vickers hardness and refractive index was determined for Ca–Si–O–N glasses with 14.6–58 e/o N and 19–42 e/o Ca. By applying slow cooling rates, transparent glasses were obtained for compositions near Ca_9.94Si₁₀O_17.73N_8.14, while the majority of the glasses were opaque due to small inclusions of elemental Si and/or Ca-silicide. Determined glass densities varied between 2.80 and 3.25 g/cm³. Hardness was found to vary from 7.3 to 10.1 GPa at a load of 500 g and, respectively increase and decrease linearly with N and Ca content. The refractive index was found to increase linearly with N content from 1.62 to 1.95 and showed no significant dependence on Ca content.     

Two‐dimensional prediction of time dependent,turbulent flow around a square cylinder confined in a channel

This paper presents two‐dimensional and unsteady RANS computations of time dependent, periodic, turbulent flow around a square block. Two turbulence models are used: the Launder–Sharma low‐Reynolds number k–ε model and a non‐linear extension sensitive to the anisotropy of turbulence. The Reynolds number based on the free stream velocity and obstacle side is Re=2.2×10⁴. The present numerical results have been obtained using a finite volume code that solves the governing equations in a vertical plane, located at the lateral mid‐point of the channel. The pressure field is obtained with the SIMPLE algorithm. A bounded version of the third‐order QUICK scheme is used for the convective terms. Comparisons of the numerical results with the experimental data indicate that a preliminary steady solution of the governing equations using the linear k–ε does not lead to correct flow field predictions in the wake region downstream of the square cylinder. Consequently, the time derivatives of dependent variables are included in the transport equations and are discretized using the second‐order Crank–Nicolson scheme. The unsteady computations using the linear and non‐linear k–ε models significantly improve the velocity field predictions. However, the linear k–ε shows a number of predictive deficiencies, even in unsteady flow computations, especially in the prediction of the turbulence field. The introduction of a non‐linear k–ε model brings the two‐dimensional unsteady predictions of the time‐averaged velocity and turbulence fields and also the predicted values of the global parameters such as the Strouhal number and the drag coefficient to close agreement with the data. Copyright © 2009 John Wiley & Sons, Ltd.