Variational principles and convergence of finite element approximations of a holonomic elastic-plastic problem

Summary It is shown that a boundary-value problem based on a holonomic elastic-plastic constitutive law may be formulated equivalently as a variational inequality of the second kind. A regularised form of the problem is analysed, and finite element approximations are considered. It is shown that solutions based on finite element approximation of the regularised problem converge.     

Effect of annealing temperature on the electrical properties of Au/Ta2O5/n-GaN metal–insulator–semiconductor (MIS) structure

We report on the effect of an annealing temperature on the electrical properties of Au/Ta₂O₅/n-GaN metal–insulator–semiconductor (MIS) structure by current–voltage (I–V) and capacitance–voltage (C–V) measurements. The measured Schottky barrier height (Φ _bo) and ideality factor n values of the as-deposited Au/Ta₂O₅/n-GaN MIS structure are 0.93 eV (I–V) and 1.19. The barrier height (BH) increases to 1.03 eV and ideality factor decreases to 1.13 upon annealing at 500 ^°C for 1 min under nitrogen ambient. When the contact is annealed at 600 ^°C, the barrier height decreases and the ideality factor increases to 0.99 eV and 1.15. The barrier heights obtained from the C–V measurements are higher than those obtained from I–V measurements, and this indicates the existence of spatial inhomogeneity at the interface. Cheung’s functions are also used to calculate the barrier height (Φ _bo), ideality factor (n), and series resistance (R _s ) of the Au/Ta₂O₅/n-GaN MIS structure. Investigations reveal that the Schottky emission is the dominant mechanism and the Poole–Frenkel emission occurs only in the high voltage region. The energy distribution of interface states is determined from the forward bias I–V characteristics by taking into account the bias dependence of the effective barrier height. It is observed that the density value of interface states for the annealed samples with interfacial layer is lower than that of the density value of interface states of the as-deposited sample.     

Graphene Modified Lipophilically by Stearic Acid and its Composite With Low Density Polyethylene

Graphene, prepared by the thermal reduction of graphite oxide (GO), was modified with stearic acid to enhance its lipophilicity. A novel method, using the intrinsic epoxy groups on the graphene, was utilized for reaction with stearic acid to minimize the negative impact of the normal functionalization method on the π-electronic system of graphene. Gravimetric analysis, thermogravimetric analysis (TGA), Fourier transform infrared (FTIR) spectroscopy, and X-ray photoelectron spectroscopy (XPS) showed that the stearic acid was effectively attached to the graphene. In addition, Raman spectroscopy and electric conductivity of the graphene showed that this novel modification method, utilizing intrinsic defects, did not damage the π-electronic system of the sp² bonded carbons. The dispersion of graphene in a low density polyethylene (LDPE) matrix was enhanced; consequently, the reinforcing effect in tensile testing was improved by the lipophilic modification. The crystallization behavior observed by differential scanning calorimetry (DSC) showed that the crystallization of LDPE was hindered by dispersed graphene, more evidently when dispersed uniformly.     

EPR and optical studies on transition metal doped LiRbB4O7 glasses

Electron paramagnetic resonance and optical investigations of copper and chromium doped LiRbB₄O₇ glasses are carried out. From the results and discussions, it is predicted that both the transition metal ions exhibit octahedral environment. In the case of Cr³⁺, the site symmetry is near octahedral, whereas in the case of Cu²⁺, it is tetragonally distorted octahedral environment. Crystal field, spin-Hamiltonian and bonding parameters are evaluated. The bonding parameters are suggesting ionic.     

Spectral/hp least-squares finite element formulation for the Navier–Stokes equations

We consider the application of least-squares finite element models combined with spectral/hp methods for the numerical solution of viscous flow problems. The paper presents the formulation, validation, and application of a spectral/hp algorithm to the numerical solution of the Navier–Stokes equations governing two- and three-dimensional stationary incompressible and low-speed compressible flows. The Navier–Stokes equations are expressed as an equivalent set of first-order equations by introducing vorticity or velocity gradients as additional independent variables and the least-squares method is used to develop the finite element model. High-order element expansions are used to construct the discrete model. The discrete model thus obtained is linearized by Newton’s method, resulting in a linear system of equations with a symmetric positive definite coefficient matrix that is solved in a fully coupled manner by a preconditioned conjugate gradient method. Spectral convergence of the L₂ least-squares functional and L₂ error norms is verified using smooth solutions to the two-dimensional stationary Poisson and incompressible Navier–Stokes equations. Numerical results for flow over a backward-facing step, steady flow past a circular cylinder, three-dimensional lid-driven cavity flow, and compressible buoyant flow inside a square enclosure are presented to demonstrate the predictive capability and robustness of the proposed formulation.     

Versatile ferrofluids based on polyethylene glycol coated iron oxide nanoparticles

Versatile ferrofluids based on polyethylene glycol coated iron oxide nanoparticles were obtained by a facile protocol and thoroughly characterized. Superparamagnetic iron oxide nanoparticles synthesized using a modified forced hydrolysis method were functionalized with polyethylene glycol silane (PEG silane), precipitated and dried. These functionalized particles are dispersable in a range of solvents and concentrations depending on the desired properties. Examples of tunable properties are magnetic behavior, optical and magneto-optical response, thermal features and rheological behavior. As such, PEG silane functionalized particles represent a platform for the development of new materials that have broad applicability in e.g. biomedical, industrial or photonic environments. Magnetic, optical, magneto-optical, thermal and rheological properties of several ferrofluids based on PEG coated particles with different concentrations of particles dispersed in low molecular mass polyethylene glycol were investigated, establishing the applicability of such materials.     

Bianchi Type-V Dark Energy Model in a Scalar-Tensor Theory of Gravitation

A spatially homogeneous and anisotropic Bianchi type-V universe with variable equation of state (EoS) parameter and constant deceleration parameter is obtained in a scalar-tensor theory of gravitation proposed by Saez and Ballester (Phys. Lett. A 113:467, 1986). The physical and kinematical properties of the universe have been discussed.     

GPTMS-Modified Bredigite/PHBV Nanofibrous Bone Scaffolds with Enhanced Mechanical and Biological Properties

Applied Biochemistry and Biotechnology - Bioceramic nanoparticles with high specific surface area often tend to agglomerate in the polymer matrix, which results in undesirable mechanical properties...     

Synthesis and applications of copillar[5]arene dithiols

Abstract

A novel copillar[4+1]arene incorporating alkylthiol substituents was synthesised in three steps and structurally characterised as the first example of a pillar[n]arene to incorporate two terminal thiols on the same aromatic ring. The macrocycle was attached to gold electrodes through a standard dipping technique. Cyclic voltammetry demonstrated selectivity for Li⁺ over other alkali metal cations. The copillar[4+1]arene was also used as a capping agent in the preparation of 3 nm gold nanoparticles.     

Synthesis,Characterization and Photocatalytic Activity of Ag+‐ and Sn2+‐Doped KTi0.5Te1.5O6

In this study, the photocatalytic dye degradation efficiency of KTi_0.5Te_1.5O₆ synthesized through solid‐state method was enhanced by cation (Ag⁺/Sn⁺²) doping at potassium site via ion exchange method. As prepared materials were characterized by XRD, SEM‐EDS, IR, TGA and UV–Vis Diffuse reflectance spectroscopic (DRS) techniques. All the compounds were crystallized in cubic lattice with space group. The bandgap energies of parent, Ag⁺‐ and Sn⁺²‐doped KTi_0.5Te_1.5O₆ materials obtained from DRS profiles were found to be 2.96, 2.55 and 2.40 eV, respectively. Photocatalytic efficiency of parent, Ag⁺‐ and Sn⁺²‐doped materials was evaluated against the degradation of methylene blue (MB) and methyl violet (MV) dyes under visible light irradiation. The Sn⁺²‐doped KTi_0.5Te_1.5O₆ showed higher activity toward the degradation of both MB and MV dyes and its higher activity is ascribed to the lower bandgap energy compared to the parent and Ag⁺‐doped KTi_0.5Te_1.5O₆. The mechanistic degradation pathway of methylene blue (MB) was studied in the presence of Sn²⁺‐doped KTi_0.5Te_1.5O₆. Quenching experiments were performed to know the participation of holes, super oxide and hydroxyl radicals in the dye degradation process. The stability and reusability of the catalysts were studied.