Limitations of Global Kinetic Parameters for Automotive Application

With emission legislation becoming ever more stringent, automotive companies are forced to invest heavily into solutions to meet the targets set. To date the most effective way of treating emissions is through the use of catalytic converters. Current testing methods of catalytic converters whether being tested on a vehicle or in a lab reactor can be expensive and offer little information about what is occurring within the catalyst. It is for this reason and the increased price of precious metal that kinetic modelling has become a popular alternative to experimental testing.

Entanglement Spectrum, Critical Exponents and Order Parameters in Quantum Spin Chains

We investigate the entanglement spectrum near criticality in finite quantum spin chains. Using finite size scaling we show that when approaching a quantum phase transition, the Schmidt gap, i.e., the difference between the two largest eigenvalues of the reduced density matrix ?1, ?2, signals the critical point and scales with universal critical exponents related to the relevant operators of the corresponding perturbed conformal field theory describing the critical point. Such scaling behavior allows us to identify explicitly the Schmidt gap as a local order parameter.

Shear instability of nanocrystalline silicon carbide during nanometric cutting

The shear instability of the nanoscrystalline 3C-SiC during nanometric cutting at a cutting speed of 100?m/s has been investigated using molecular dynamics simulation. The deviatoric stress in the cutting zone was found to cause sp3-sp2 disorder resulting in the local formation of SiC-graphene and Herzfeld-Mott transitions of 3C-SiC at much lower transition pressures than that required under pure compression. Besides explaining the ductility of SiC at 1500?K, this is a promising phenomenon in general nanoscale engineering of SiC. It shows that modifying the tetrahedral bonding of 3C-SiC, which would otherwise require sophisticated pressure cells, can be achieved more easily by introducing non-hydrostatic stress conditions.

Multiscale simulation of nanometric cutting of single crystal copper and its experimental validation

In this paper a multiscale simulation study was carried out in order to gain in-depth understanding of machining mechanism of nanometric cutting of single crystal copper. This study was focused on the effects of crystal orientation and cutting direction on the attainable machined surface quality. The machining mechanics was analyzed through cutting forces, chip formation morphology, generation and evolution of defects and residual stresses on the machined surface. The simulation results showed that the crystal orientation of the copper material and the cutting direction significantly influenced the deformation mechanism of the workpiece materials during the machining process. Relatively lower cutting forces were experienced while selecting crystal orientation family {1 1 1}. Dislocation movements were found to concentrate in front of the cutting chip while cutting on the (1 1 1) surface along the View the MathML source cutting direction thus, resulting in much smaller damaged layer on the machined surface, compared to other orientations. This crystal orientation and cutting direction therefore recommended for nanometric cutting of single crystal copper in practical applications. A nano-scratching experiment was performed to validate the above findings.

Effects of process parameters upon the shape memory and pseudo-elastic behaviors of laser-welded NiTi thin foil

This article discusses the effects of laser welding parameters such as power, welding speed, and focus position on the weld bead profile, microstructure, pseudo-elasticity (PE), and shape memory effect (SME) of NiTi foil with thickness of 250 um using 100W CW fiber laser. The parameter settings to produce the NiTi welds for analysis in this article were chosen from a fractional factorial design to ensure the welds produced were free of any apparent defect. The welds obtained were mainly of cellular dendrites with grain sizes ranging from 2.5 to 4.8 um at the weld centerline. A small amount of Ni3Ti was found in the welds. The onset of transformation temperatures (As and Ms) of the NiTi welds shifted to the negative side as compared to the as-received NiTi alloy. Ultimate tensile stress of the NiTi welds was comparable to the as received NiTi alloy, but a little reduction in the pseudo-elastic property was noted. Full penetration welds with desirable weld bead profiles and mechanical properties were successfully obtained in this study.

Glycosylation of low density lipoprotein in patients with type 1 (insulin-dependent) diabetes:correlations with other parameters of glycaemic control

Glycosylation of low density lipoproteins obtained from 16 patients with Type 1 (insulin-dependent) diabetes and from 16 age-, sex-, and race-matched controls, was determined. The diabetic patients were normolipaemic and were in good or fair glycaemic control. Eleven patients performed home blood glucose monitoring. Glycosylation of low density lipoproteins in the diabetic patients was significantly higher (p less than 0.001) than in the control subjects, and was significantly correlated with haemoglobin A1c, (p less than 0.01), glycosylation of plasma proteins, (p less than 0.001), and mean home blood glucose, (p less than 0.01). This study confirms that, in diabetic patients, increased glycosylation of low density lipoprotein occurs to an extent which correlates closely with other commonly used indices of glycaemic control.

Finite Element Analysis of Drilling of Carbon Fibre Reinforced Composites

Despite the increased applications of the composite materials in aerospace due to their exceptional physical and mechanical properties, the machining of composites remains a challenge. Fibre reinforced laminated composites are prone to different damages during machining process such as delamination, fibre pull-out, microcracks, thermal damages. Optimization of the drilling process parameters can reduces the probability of these damages. In the current research, a 3D finite element (FE) model is developed of the process of drilling in the carbon fibre reinforced composite (CFC). The FE model is used to investigate the effects of cutting speed and feed rate on thrust force, torque and delamination in the drilling of carbon fiber reinforced laminated composite. A mesoscale FE model taking into account of the different oriented plies and interfaces has been proposed to predict different damage modes in the plies and delamination. For validation purposes, experimental drilling tests have been performed and compared to the results of the finite element analysis. Using Matlab a digital image analysis code has been developed to assess the delamination factor produced in CFC as a result of drilling. © Springer Science+Business Media B.V. 2011.

Anisotropy parameters in two-color two-photon above-threshold ionization

We employ the time-dependent R-matrix (TDRM) method to calculate anisotropy parameters for positive and negative sidebands of selected harmonics generated by two-color two-photon above-threshold ionization of argon. We consider odd harmonics of an 800-nm field ranging from the 13th to 19th harmonic, overlapped by a fundamental 800-nm IR field. The anisotropy parameters obtained using the TDRM method are compared with those obtained using a second-order perturbation theory with a model potential approach and a soft photon approximation approach. Where available, a comparison is also made to published experimental results. All three theoretical approaches provide similar values for anisotropy parameters. The TDRM approach obtains values that are closest to published experimental values. At high photon energies, the differences between each of the theoretical methods become less significant.

DiveRsity: An R package for the estimation and exploration of population genetics parameters and their associated errors

Summary: We present a new R package, diveRsity, for the calculation of various diversity statistics, including common diversity partitioning statistics (?, G) and population differentiation statistics (D, GST ', ? test for population heterogeneity), among others. The package calculates these estimators along with their respective bootstrapped confidence intervals for loci, sample population pairwise and global levels. Various plotting tools are also provided for a visual evaluation of estimated values, allowing users to critically assess the validity and significance of statistical tests from a biological perspective. diveRsity has a set of unique features, which facilitate the use of an informed framework for assessing the validity of the use of traditional F-statistics for the inference of demography, with reference to specific marker types, particularly focusing on highly polymorphic microsatellite loci. However, the package can be readily used for other co-dominant marker types (e.g. allozymes, SNPs). Detailed examples of usage and descriptions of package capabilities are provided. The examples demonstrate useful strategies for the exploration of data and interpretation of results generated by diveRsity. Additional online resources for the package are also described, including a GUI web app version intended for those with more limited experience using R for statistical analysis. © 2013 British Ecological Society.

A theoretical assessment of surface defect machining and hot machining of nanocrystalline silicon carbide

In this paper, a newly proposed machining method named “surface defect machining” (SDM) [Wear, 302, 2013 (1124-1135)] was explored for machining of nanocrystalline beta silicon carbide (3C-SiC) at 300K using MD simulation. The results were compared with isothermal high temperature machining at 1200K under the same machining parameters, emulating ductile mode micro laser assisted machining (µ-LAM) and with conventional cutting at 300 K. In the MD simulation, surface defects were generated on the top of the (010) surface of the 3C-SiC work piece prior to cutting, and the workpiece was then cut along the <100> direction using a single point diamond tool at a cutting speed of 10 m/sec. Cutting forces, sub-surface deformation layer depth, temperature in the shear zone, shear plane angle and friction coefficient were used to characterize the response of the workpiece. Simulation results showed that SDM provides a unique advantage of decreased shear plane angle which eases the shearing action. This in turn causes an increased value of average coefficient of friction in contrast to the isothermal cutting (carried at 1200 K) and normal cutting (carried at 300K). The increase of friction coefficient however was found to aid the cutting action of the tool due to an intermittent dropping in the cutting forces, lowering stresses on the cutting tool and reducing operational temperature. Analysis shows that the introduction of surface defects prior to conventional machining can be a viable choice for machining a wide range of ceramics, hard steels and composites compared to hot machining.