Chemical bond analysis of nonlinearity of urea crystal

A novel and quantitative study on structure-property relationships has been carried out in urea crystal, based on the dielectric theory of complex crystals and the modified Levine bond charge model, mainly from the chemical bond viewpoint. For the first time, it was treated like this, and the bond parameters and linear and nonlinear characteristics of constituent chemical bonds were presented quantitatively. The theoretical result agrees satisfactorily with the experimental datum and can reasonably explain the nonlinear origin of urea crystal, that is, the C-N bond in the conjugated system of bonds O double left arrow C<--N-H. At the same time, the novel method should be a useful tool toward the future development of the search for new nonlinear optical (NLO) materials in the organic crystal field.

A neural networks-based method for single-phase harmonic content identification

A neural method is presented in this paper to identify the harmonic components of an ac controller. The components are identified by analyzing the single-phase current waveform. The method effectiveness is verified by applying it to an active power filter (APF) model dedicated to the selective harmonic compensation. Simulation results using theoretical and experimental data are presented to validate the proposed approach. © 2008 IEEE.

Developing descriptors to predict mechanical properties of nanotubes

Descriptors and quantitative structure property relationships (QSPR) were investigated for mechanical property prediction of carbon nanotubes (CNTs). 78 molecular dynamics (MD) simulations were carried out, and 20 descriptors were calculated to build quantitative structure property relationships (QSPRs) for Young's modulus and Poisson's ratio in two separate analyses: vacancy only and vacancy plus methyl functionalization. In the first analysis, C N2/CT (number of non-sp2 hybridized carbons per the total carbons) and chiral angle were identified as critical descriptors for both Young's modulus and Poisson's ratio. Further analysis and literature findings indicate the effect of chiral angle is negligible at larger CNT radii for both properties. Raman spectroscopy can be used to measure CN2/C T, providing a direct link between experimental and computational results. Poisson's ratio approaches two different limiting values as CNT radii increases: 0.23-0.25 for chiral and armchair CNTs and 0.10 for zigzag CNTs (surface defects <3%). In the second analysis, the critical descriptors were CN2/CT, chiral angle, and MN/CT (number of methyl groups per total carbons). These results imply new types of defects can be represented as a new descriptor in QSPR models. Finally, results are qualified and quantified against experimental data. © 2013 American Chemical Society.

Spin-resolved local density of states for an Anderson adatom in a ferromagnetic island

In this work, we investigate theoretically the spin-resolved local density of states (SR-LDOS) of a ferromagnetic (FM) island hybridized with an adatom, which is described by the Single Impurity Anderson Model (SIAM). Our results are comparable with Scanning Tunneling Microscope (STM) experimental data. © 2012 Springer Science+Business Media, LLC.

Speed estimation for induction motor using neural networks method

This work presents an alternative approach based on neural network method in order to estimate speed of induction motors, using the measurement of primary variables such as voltage and current. Induction motors are very common in many sectors of the industry and assume an important role in the national energy policy. The nowadays methodologies, which are used in diagnosis, condition monitoring and dimensioning of these motors, are based on measure of the speed variable. However, the direct measure of this variable compromises the system control and starting circuit of an electric machinery, reducing its robustness and increasing the implementation costs. Simulation results and experimental data are presented to validate the proposed approach. © 2003-2012 IEEE.

Study of wheel-rail impact at insulated rail joint through experimental and numerical methods

As part of an ongoing research on the development of a longer life insulated rail joint (IRJ), this paper reports a field experiment and a simplified 2D numerical modelling for the purpose of investigating the behaviour of rail web in the vicinity of endpost in an insulated rail joint (IRJ) due to wheel passages. A simplified 2D plane stress finite element model is used to simulate the wheel-rail rolling contact impact at IRJ. This model is validated using data from a strain gauged IRJ that was installed in a heavy haul network; data in terms of the vertical and shear strains at specific positions of the IRJ during train passing were captured and compared with the results of the FE model. The comparison indicates a satisfactory agreement between the FE model and the field testing. Furthermore, it demonstrates that the experimental and numerical analyses reported in this paper provide a valuable datum for developing further insight into the behaviour of IRJ under wheel impacts.

A generalized mathematical theory and experimental verification of proportional notches

A theory and generalized synthesis procedure is advocated for the design of weir notches and orifice-notches having a base in any given shape, to a depth a, such that the discharge through it is proportional to any singular monotonically-increasing function of the depth of flow measured above a certain datum. The problem is reduced to finding an exact solution of a Volterra integral equation in Abel form. The maximization of the depth of the datum below the crest of the notch is investigated. Proof is given that for a weir notch made out of one continuous curve, and for a flow proportional to the mth power of the head, it is impossible to bring the datum lower than (2m − 1)a below the crest of the notch. A new concept of an orifice-notch, having discontinuity in the curve and a division of flow into two distinct portions, is presented. The division of flow is shown to have a beneficial effect in reducing the datum below (2m − 1)a from the crest of the weir and still maintaining the proportionality of the flow. Experimental proof with one such orifice-notch is found to have a constant coefficient of discharge of 0.625. The importance of this analysis in the design of grit chambers is emphasized.

Foil rolling : a new interpretation of experimental results

This paper explores a new interpretation of experiments on foil rolling. The assumption that the roll remains convex is relaxed so that the strip profile may become concave, or thicken in the roll gap. However, we conjecture that the concave profile is associated with phenomena which occur after the rolls have stopped. We argue that the yield criterion must be satisfied in a nonconventional manner if such a phenomenon is caused plastically. Finite element analysis on an extrusion problem appears to confirm this conjecture.

Experimental studies on comparison of microwave curing and thermal curing of epoxy resins used for alternative mould materials

In this present work attempts have been made to study the glass transition temperature of alternative mould materials by using both microwave heating and conventional oven heating. In this present work three epoxy resins, namely R2512, R2515 and R2516, which are commonly used for making injection moulds have been used in combination with two hardeners H2403 and H2409. The magnetron microwave generator used in this research is operating at a frequency of 2.45 GHz with a hollow rectangular waveguide. In order to distinguish the effects between the microwave and conventional heating, a number of experiments were performed to test their mechanical properties such as tensile and flexural strengths. Additionally, differential scanning calorimeter technique was implemented to measure the glass transition temperature on both microwave and conventional heating. This study provided necessary evidences to establish that microwave heated mould materials resulted with higher glass transition temperature than the conventional heating. Finally, attempts were also made to study the microstructure of microwave-cured materials by using a scanning electron microscope in order to analyze the morphology of cured specimens.