High-order detached eddy simulation, zonal LES and URANS of cavity and labyrinth seal flows

Hybrid numerical large eddy simulation (NLES), detached eddy simulation (DES) and URANS methods are assessed on a cavity and a labyrinth seal geometry. A high sixth-order discretization scheme is used and is validated using the test case of a two-dimensional vortex. The hybrid approach adopts a new blending function. For the URANS simulations, the flow within the cavity remains steady, and the results show significant variation between models. Surprisingly, low levels of resolved turbulence are observed in the cavity for the DES simulation, and the cavity shear layer remains two dimensional. The hybrid RANS-NLES approach does not suffer from this trait.For the labyrinth seal, both the URANS and DES approaches give low levels of resolved turbulence. The zonal Hamilton-Jacobi approach on the other had given significantly more resolved content. Both DES and hybrid RANS-NLES give good agreement with the experimentally measured velocity profiles. Again, there is significant variation between the URANS models, and swirl velocities are overpredicted. © 2013 John Wiley & Sons, Ltd.

Low-cost high-efficiency GaN LED on large-area si substrate

The use of large size Si substrates for epitaxy of nitride light emitting diode (LED) structures has attracted great interest because Si wafers are readily available in large diameter at low cost. In addition, such wafers are compatible with existing processing lines for the 6-inch and larger wafer sizes commonly used in the electronics industry. With the development of various methods to avoid wafer cracking and reduce the defect density, the performance of GaN-based LED and electronic devices has been greatly improved. In this paper, we review our methods of growing crack-free InGaN-GaN multiple quantum well (MQW) LED structures of high crystalline quality on Si(111) substrates. The performance of processed LED devices and its dependence on the threading dislocation density were studied. Full wafer-level LED processing using a conventional 6-inch III-V processing line is also presented, demonstrating the great advantage of using large-size Si substrates for mass production of GaN LED devices.

Modelling and design of stress-induced martensite formation in metastable β Ti alloys

The temperature dependence of the stress-induced martensite (SIM) formation in a Ti-10V-2Fe-3Al (Ti-1023) alloy under compressive loading has been studied. At low temperatures, the stress level at which martensite starts to form increases linearly with the deformation temperature, while the stress at which the deformation switches to regular plastic deformation is roughly temperature independent. A thermostatistical model for dislocation evolution is employed to describe deformation twinning in martensite. Combined effects of twinning induced plasticity and solid solution strengthening are considered in terms of temperature variations. The SIM effect disappears on deformation at temperatures beyond ~ 233 ° C, which is close to the predicted Ms temperature of 240°C. The thermostatistical model predicts a transition from twinned martensite to pure slip at 250°C. By providing a model to predict the martensite formation, and by describing deformation twinning, the present work provides a number of tools that may be employed to conceive new titanium alloys combining improved strength and ductility. © 2013 Elsevier B.V.

Grain boundary interface mechanics in strain gradient crystal plasticity

Interactions between dislocations and grain boundaries play an important role in the plastic deformation of polycrystalline metals. Capturing accurately the behaviour of these internal interfaces is particularly important for applications where the relative grain boundary fraction is significant, such as ultra fine-grained metals, thin films and microdevices. Incorporating these micro-scale interactions (which are sensitive to a number of dislocation, interface and crystallographic parameters) within a macro-scale crystal plasticity model poses a challenge. The innovative features in the present paper include (i) the formulation of a thermodynamically consistent grain boundary interface model within a microstructurally motivated strain gradient crystal plasticity framework, (ii) the presence of intra-grain slip system coupling through a microstructurally derived internal stress, (iii) the incorporation of inter-grain slip system coupling via an interface energy accounting for both the magnitude and direction of contributions to the residual defect from all slip systems in the two neighbouring grains, and (iv) the numerical implementation of the grain boundary model to directly investigate the influence of the interface constitutive parameters on plastic deformation. The model problem of a bicrystal deforming in plane strain is analysed. The influence of dissipative and energetic interface hardening, grain misorientation, asymmetry in the grain orientations and the grain size are systematically investigated. In each case, the crystal response is compared with reference calculations with grain boundaries that are either 'microhard' (impenetrable to dislocations) or 'microfree' (an infinite dislocation sink). © 2013 Elsevier Ltd. All rights reserved.

Detailed measurements of spike formation in an axial compressor

This paper presents new experimental measurements of spike-type stall inception. The measurements were carried out in the single stage Deverson compressor at the Whittle Laboratory. The primary objective was to characterize the flow field in the tip clearance gap during stall inception using sufficient instrumentation to give high spatial and temporal resolution. Measurements were recorded using arrays of unsteady pressure transducers over the rotor tips and hot-wires in the tip gap. Prestall ensemble averaged velocity and pressure maps were obtained as well as pressure contours of the stall event. In order to study the transient inception process in greater detail, vector maps were built up from hundreds of stalling events using a triggering system based on the stalling event itself. The results show an embryonic disturbance starting within the blade passage and leading to the formation of a clear spike. The origins of the spike and its relation to the tip leakage vortex are discussed. It has also been shown that before stall, the flow in the blade passage which is most likely to stall is generally more unsteady, from revolution to revolution, than the other passages in the annulus. © 2014 by ASME.

Effects of damming on population sustainability of Chinese sturgeon, Acipenser sinensis: evaluation of optimal conservation measures

The numbers of spawning sites for Chinese sturgeon have been drastically reduced since the construction of the Gezhouba Dam across the Yangtze River. This dam has blocked migration of Chinese sturgeon to their historic spawning ground causing a significant decline of the Chinese sturgeon population. We conducted a VORTEX population viability analysis to estimate the sustainability of the population and to quantify the efficiency of current and alternative conservation procedures. The model predicted the observed decline of Chinese sturgeon, resulting from the effect of the Gezhouba Dam. These simulations demonstrated the potential interest of two conservation measures: increasing spawning area and reducing predation on sturgeon eggs. The simulations also demonstrated that the actual restocking program is not sufficient to sustain sturgeon population as the artificial reproduction program induce the loss of more wild mature adults that the recruitment expected by the artificial reproduction.

First principles interatomic potential for tungsten based on Gaussian process regression

An accurate description of atomic interactions, such as that provided by first principles quantum mechanics, is fundamental to realistic prediction of the properties that govern plasticity, fracture or crack propagation in metals. However, the computational complexity associated with modern schemes explicitly based on quantum mechanics limits their applications to systems of a few hundreds of atoms at most. This thesis investigates the application of the Gaussian Approximation Potential (GAP) scheme to atomistic modelling of tungsten - a bcc transition metal which exhibits a brittle-to-ductile transition and whose plasticity behaviour is controlled by the properties of $\frac{1}{2} \langle 111 \rangle$ screw dislocations. We apply Gaussian process regression to interpolate the quantum-mechanical (QM) potential energy surface from a set of points in atomic configuration space. Our training data is based on QM information that is computed directly using density functional theory (DFT). To perform the fitting, we represent atomic environments using a set of rotationally, permutationally and reflection invariant parameters which act as the independent variables in our equations of non-parametric, non-linear regression. We develop a protocol for generating GAP models capable of describing lattice defects in metals by building a series of interatomic potentials for tungsten. We then demonstrate that a GAP potential based on a Smooth Overlap of Atomic Positions (SOAP) covariance function provides a description of the $\frac{1}{2} \langle 111 \rangle$ screw dislocation that is in agreement with the DFT model. We use this potential to simulate the mobility of $\frac{1}{2} \langle 111 \rangle$ screw dislocations by computing the Peierls barrier and model dislocation-vacancy interactions to QM accuracy in a system containing more than 100,000 atoms.

Accuracy and transferability of GAP models for tungsten

We introduce interatomic potentials for tungsten in the bcc crystal phase and its defects within the Gaussian Approximation Potential (GAP) framework, fitted to a database of first principles density functional theory (DFT) calculations. We investigate the performance of a sequence of models based on databases of increasing coverage in configuration space and showcase our strategy of choosing representative small unit cells to train models that predict properties only observable using thousands of atoms. The most comprehensive model is then used to calculate properties of the screw dislocation, including its structure, the Peierls barrier and the energetics of the vacancy-dislocation interaction. All software and raw data are available at www.libatoms.org.

Atom probe tomography for advanced metallization

In microelectronics, the increase in complexity and the reduction of devices dimensions make essential the development of new characterization tools and methodologies. Indeed advanced characterization methods with very high spatial resolution are needed to analyze the redistribution at the nanoscale in devices and interconnections. The atom probe tomography has become an essential analysis to study materials at the nanometer scale. This instrument is the only analytical microscope capable to produce 3D maps of the distribution of the chemical species with an atomic resolution inside a material. This technique has benefit from several instrumental improvements during last years. In particular, the use of laser for the analysis of semiconductors and insulating materials offers new perspectives for characterization. The capability of APT to map out elements at the atomic scale with high sensitivity in devices meets the characterization requirements of semiconductor devices such as the determination of elemental distributions for each device region. In this paper, several examples will show how APT can be used to characterize and understand materials and process for advanced metallization. The possibilities and performances of APT (chemical analysis of all the elements, atomic resolution, planes determination, crystallographic information...) will be described as well as some of its limitations (sample preparation, complex evaporation, detection limit, ...). The examples illustrate different aspect of metallization: dopant profiling and clustering, metallic impurities segregation on dislocation, silicide formation and alloying, high K/metal gate optimization, SiGe quantum dots, as well as analysis of transistors and nanowires. © 2013 Elsevier B.V. All rights reserved.

Effect of surface treatment of GaN based light emitting diode wafers on the leakage current of light emitting diode devices

To form low-resistance Ohmic contact to p-type GaN, InGaN/GaN multiple quantum well light emitting diode wafers are treated with boiled aqua regia prior to Ni/Au (5 nm/5 nm) film deposition. The surface morphology of wafers and the current-voltage characteristics of fabricated light emitting diode devices are investigated. It is shown that surface treatment with boiled aqua regia could effectively remove oxide from the surface of the p-GaN layer, and reveal defect-pits whose density is almost the same as the screw dislocation density estimated by x-ray rocking curve measurement. It suggests that the metal atoms of the Ni/Au transparent electrode of light emitting diode devices may diffuse into the p-GaN layer along threading dislocation lines and form additional leakage current channels. Therefore, the surface treatment time with boiled aqua regia should not be too long so as to avoid the increase of threading dislocation-induced leakage current and the degradation of electrical properties of light emitting diodes

Influence of AlN buffer layer thickness on structural properties of GaN epilayer grown on Si (111) substrate with AlGaN interlayer

We present the growth of GaN epilayer on Si (111) substrate with a single AlGaN interlayer sandwiched between the GaN epilayer and AlN buffer layer by using the metalorganic chemical vapour deposition. The influence of the AlN buffer layer thickness on structural properties of the GaN epilayer has been investigated by scanning electron microscopy, atomic force microscopy, optical microscopy and high-resolution x-ray diffraction. It is found that an AlN buffer layer with the appropriate thickness plays an important role in increasing compressive strain and improving crystal quality during the growth of AlGaN interlayer, which can introduce a more compressive strain into the subsequent grown GaN layer, and reduce the crack density and threading dislocation density in GaN film.

Role of Ga vacancies in enhancing the leakage current of GaN Schottky barrier ultraviolet photodetectors

The leakage current of GaN Schottky barrier ultraviolet photodetectors is investigated. It is found that the photodetectors adopting undoped GaN instead of lightly Si-doped GaN as an active layer show a much lower leakage current even when they have a higher dislocation density. It is also found that the density of Ga vacancies in undoped GaN is much lower than in Si-doped GaN. The Ga vacancies may enhance tunneling and reduce effective Schottky barrier height, leading to an increase of leakage current. It suggests that when undoped GaN is used as the active layer, it is necessary to reduce the leakage current of GaN Schottky barrier ultraviolet photodetector.

Promoting strain relaxation of Si0.72Ge0.28 film on Si (100) substrate by inserting a low-temperature Ge islands layer in UHVCVD

A flat, fully strain-relaxed Si0.72Ge0.28 thin film was grown on Si (1 0 0) substrate with a combination of thin low-temperature (LT) Ge and LT-Si0.72Ge0.28 buffer layers by ultrahigh vacuum chemical vapor deposition. The strain relaxation ratio in the Si0.72Ge0.28 film was enhanced up to 99% with the assistance of three-dimensional Ge islands and point defects introduced in the layers, which furthermore facilitated an ultra-low threading dislocation density of 5 x 10(4) cm (2) for the top SiGe film. More interestingly, no cross-hatch pattern was observed on the SiGe surface and the surface root-mean-square roughness was less than 2 nm. The temperature for the growth of LT-Ge layer was optimized to be 300 degrees C. (C) 2008 Elsevier B.V. All rights reserved.

Structural, electrical, and optical properties of InAsxSb1-x epitaxial films grown by liquid-phase epitaxy

The InAsxSb1-x films were grown on (100) GaSb substrates by liquid-phase epitaxy, and their structural, electrical, and optical properties were investigated. The high-resolution x-ray diffraction results reveal that the single crystalline InAsxSb1-x films with a midrange composition are epitaxially grown on the GaSb substrates. Temperature dependence of the Hall mobility was theoretically modeled by considering several predominant scattering mechanisms. The results indicate that ionized impurity and dislocation scatterings dominate at low temperatures, while polar optical phonon scattering is important at room temperature (RT). Furthermore, the InAsxSb1-x films with the higher As composition exhibit the better crystalline quality and the higher mobility. The InAs0.35Sb0.65 film exhibits a Hall mobility of 4.62x10(4) cm(2) V-1 s(-1). The cutoff wavelength of photoresponse is extended to about 12 mu m with a maximum responsivity of 0.21 V/W at RT, showing great potential for RT long-wavelength infrared detection. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2989116]

Comment on

In a recent letter, Hsieh reported the growth of high-quality Ge epilayers with a SiGe buffer thickness of only 0.45 mu m, a surface root-mean-square roughness of less than 0.4 nm, and a threading dislocation of 7.6 x 10(6) cm(-2) on Si+ pre-ion-implantation Si substrate utilizing of strain relaxation enhancement by point defects and interface blocking of the dislocations. Our comment has focused on x-ray diffraction data shown in Fig. 3 of Ref. 1. We demonstrate that the strain in Ge epilayers is tensile, rather than compressive as misunderstood by the authors. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3003873]