Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands

The molybdenum and tungsten complexes W2(NtBu)4(pz)4(pzH).(C6H14)0.5 (pz = pyrazolate), M(NtBu)2(Me2pz)2(Me2pzH)2 (Me2pz = 3,5-dimethylpyrazolate), M(NtBu)2(tBu2pz)2 (tBu2pz = 3,5-di-tert-butylpyrazolate), M2(NtBu)4(Me2pz)2Cl2, W(NtBu)2(C2N3(iPr)2)2py2, M(NtBu)2-(CN4CF3)2py2, and W(NtBu)2(PhNNNPh)2 were prepared by various synthetic routes from the starting materials Mo(NtBu)2Cl2, W(NtBu)2(NHtBu)2, and W(NtBu)2Cl2py2. These new complexes were characterized by spectral and analytical methods and by X-ray crystal structure determinations. The volatilities and thermal stabilities were evaluated to determine the potential of the new complexes for use in thin film growth of metal nitride films. Mo(NtBu)2(tBu2pz)2 and W(NtBu)2(tBu2pz)2 were found to have the optimum combination of volatility and thermal stability for application in atomic layer deposition thin film growth procedures.     

Facile electrodeposition of ZnO on graphitic substrate for photocatalytic application: degradation of antibiotics in a continuous stirred-tank reactor

Journal of Solid State Electrochemistry - This work discusses the possibility of obtaining ZnO film on graphite, which can be widely used for photocatalysis, photocells, photodetectors, etc. The...     

Simulating the dynamic behavior of planetary gearbox based on improved Hanning function

Planetary gearboxes are widely used in industrial machines. They usually work in harsh environments giving rise to damages and high maintenance costs. Condition monitoring is a key action allowing one to detect the presence of such damage ensuring healthy running conditions. The knowledge of the dynamic behavior of such a gearbox can be achieved using modeling tools as a primary step before conditioning the monitoring subject. In addition, modeling a gear set can help in the stage of design in order to optimize physical and geometric parameters of the system. Therefore, in this work, a two-dimensional lumped parameter model is adopted to build all vibration sources. The time-varying mesh stiffness is approximated as a square wave form. A novel mathematical formulation is proposed to model the amplitude modulation phenomenon due to the rotational motion of the planets around the center of the gearbox. Finally, the overall vibration signal is concluded as a summation of all vibration components influenced by the modulation function.     

Studies on relation between columnar order and electrical conductivity in HAT6 discotic liquid crystals using temperature-dependent Raman spectroscopy and DFT calculations

The vibrational property of 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene (HAT6) discotic liquid crystal (DLC) material is investigated in this research by using temperature-dependent Raman spectroscopy technique. One-dimensional (1D) charge transport mechanism in the DLC molecules is enabled in the columnar liquid crystalline (D_h) phase. The result indicates a high core-to-core correlation in the liquid crystal columnar phase, which has a ‘memory’ like effect that extends into isotropic phase at femtosecond timescale. This correlation is also confirmed through electrical conductivity measurement of DLCs, in which the electrical conductivity is enhanced in the DLC phase. DFT simulation was also carried out in order to elucidate the basic properties of HAT6 such as the band gap in the light of Raman spectra. An interesting outcome is that a freely unspecified boundary model produces in a more flexible molecule, resulting in a reduced band gap. Thus, this work provides an understanding of relationship between columnar order and electrical conductivity of HAT6 molecule, and potential strategy for design of DLCs in electronics application.     

Non-Fickian diffusion of amyl acetate in polypropylene packaging: Experiments and modelling

In this paper, we present the methodology and the results obtained by the gravimetric and the FTIR methods to study the sorption of amyl acetate in polypropylene packaging. The influence of the concentration of amyl acetate and the temperature of aging on the sorption is discussed. A non-Fickian model is used to determine the diffusion coefficient and the surface mass transfer coefficient and their evolution with the amyl acetate concentration and the temperature of aging. The effect of the diffusion of amyl acetate on the polypropylene is studied by means of thermal properties.     

Optimization of the vane geometry

The use of nonstandard geometries like the vane is essential to measure the rheological characteristics of complex fluids such as non-Newtonian fluids or particle dispersions. For this geometry which is of Couette type, there is no analytical simple model defining the relation between the shear stress and the torque or relating the angular velocity to the shear rate. This study consists on calibrating a nonstandard vane geometry using a finite volume method with the Ansys Fluent software. The influence of geometrical parameters and rheological characteristics of the complex fluids are considered. First, the Newtonian fluid flow in a rotative vane geometry was simulated and a parametric model is derived therefrom. The results show an excellent agreement between the calculated torque and the measured one. They provide the possibility to define equivalent dimensions by reference to a standard geometry with concentric cylinders where the relationships between shear stress (resp. shear rate) and the torque (resp. the angular rotation) are classical. Non-Newtonian fluid flows obeying a power law rheology with different indices were then simulated. The results of these numerical simulations are in very good agreement with the preceding Newtonian-based model in some ranges of indices. The absolute difference still under 5 % provided the index is below 0.45. Finally, this study provides a calibration protocol in order to use nonstandard vane geometries with various heights, gaps, and distance to the cup bottom for measuring the rheology of complex fluids like shear thinning fluids and concentrated suspensions.     

The Dirac–Witten operator on pseudo-Riemannian manifolds

We study the Dirac–Witten operator for spacelike spin submanifolds in pseudo-Riemannian manifolds. When the normal bundles are spin and odd-dimensional, we derive new eigenvalue lower bounds. We also prove the generalized positive mass theorem using this operator.     

Eigenvalues of the Dirac Operator on Manifolds¶with Boundary

Under standard local boundary conditions or certain global APS boundary conditions, we get lower bounds for the eigenvalues of the Dirac operator on compact spin manifolds with boundary. For the local boundary conditions, limiting cases are characterized by the existence of real Killing spinors and the minimality of the boundary. Received: 22 August 2000 / Accepted: 15 March 2001     

A conformal lower bound for the smallest eigenvalue of the Dirac operator and killing spinors

On a Riemannian spin manifold, we give a lower bound for the square of the eigenvalues of the Dirac operator by the smallest eigenvalue of the conformal Laplacian (the Yamabe operator). We prove, in the limiting case, that the eigenspinor field is a killing spinor, i.e., parallel with respect to a natural connection. In particular, if the scalar curvature is positive, the eigenspinor field is annihilated by harmonic forms and the metric is Einstein.