Modelling ternary effects on antiphase boundary energy of Ni3Al

The shearing of ordered gamma' precipitates by matrix dislocations results in the formation of antiphase boundaries (APB) in Ni-base superalloys. The APB energy is an important source of order-strengthening in disk and blade alloys where Ti and Ta substitute for Al in gamma'. While the importance of APB energy is well-acknowledged, the effect of alloying on APB energy is not fully understood. In the present study, the effect of Ti and Ta additions on the {111} and {010} APB energies was probed via electronic structure calculations. Results suggest that at low levels of Ti/Ta, APB energies on either plane increases with alloying. However, at higher Ti/Ta levels, the APB energies decrease with alloying. These trends understood by accounting for nearest neighbour violations about the APB and additionally, invoking the effect of precipitate composition on the energy penalty of the violations. We propose an Environment Dependent Nearest Neighbour Bond (EDNNB) model that predicts APB energies that are in close agreement to calculated values.

Soft-spring wall based non-periodic boundary conditions for non-equilibrium molecular dynamics of dense fluids

Non-equilibrium molecular dynamics (MD) simulations require imposition of non-periodic boundary conditions (NPBCs) that seamlessly account for the effect of the truncated bulk region on the simulated MD region. Standard implementation of specular boundary conditions in such simulations results in spurious density and force fluctuations near the domain boundary and is therefore inappropriate for coupled atomistic-continuum calculations. In this work, we present a novel NPBC model that relies on boundary atoms attached to a simple cubic lattice with soft springs to account for interactions from particles which would have been present in an untruncated full domain treatment. We show that the proposed model suppresses the unphysical fluctuations in the density to less than 1% of the mean while simultaneously eliminating spurious oscillations in both mean and boundary forces. The model allows for an effective coupling of atomistic and continuum solvers as demonstrated through multiscale simulation of boundary driven singular flow in a cavity. The geometric flexibility of the model enables straightforward extension to nonplanar complex domains without any adverse effects on dynamic properties such as the diffusion coefficient. (c) 2015 AIP Publishing LLC.

Effect of a mesh on boundary layer transitions induced by free-stream turbulence and an isolated roughness element

Streamwise streaks, their lift-up and streak instability are integral to the bypass transition process. An experimental study has been carried out to find the effect of a mesh placed normal to the flow and at different wall-normal locations in the late stages of two transitional flows induced by free-stream turbulence (FST) and an isolated roughness element. The mesh causes an approximately 30% reduction in the free-stream velocity, and mild acceleration, irrespective of its wall-normal location. Interestingly, when located near the wall, the mesh suppresses several transitional events leading to transition delay over a large downstream distance. The transition delay is found to be mainly caused by suppression of the lift-up of the high-shear layer and its distortion, along with modification of the spanwise streaky structure to an orderly one. However, with the mesh well away from the wall, the lifted-up shear layer remains largely unaffected, and the downstream boundary layer velocity profile develops an overshoot which is found to follow a plane mixing layer type profile up to the free stream. Reynolds stresses, and the size and strength of vortices increase in this mixing layer region. This high-intensity disturbance can possibly enhance transition of the accelerated flow far downstream, although a reduction in streamwise turbulence intensity occurs over a short distance downstream of the mesh. However, the shape of the large-scale streamwise structure in the wall-normal plane is found to be more or less the same as that without the mesh.

Damage quantification under sliding and seizure condition using first-of-a-kind fretting machine

In a practical situation, it is difficult to model exact contact conditions clue to challenges involved in the estimation of contact forces, and relative displacements between the contacting bodies. Sliding and seizure conditions were simulated on first-of-a-kind displacement controlled system. Self-mated stainless steels have been investigated in detail. Categorization of contact conditions prevailing at the contact interface has been carried out based on the variation of coefficient of friction with number of cycles, and three-dimensional fretting loops. Surface and subsurface micro-cracks have been observed, and their characteristic shows strong dependence on loading conditions. Existence of shear bands in the subsurface region has been observed for high strain and low strain rate loading conditions. Studies also include the influence of initial surface roughness on the damage under two extreme contact conditions. (C) 2013 Elsevier B.V. All rights reserved.

Field induced domain switching as the origin of anomalous lattice strain along non-polar direction in rhombohedral BiScO3-PbTiO3 close to the morphotropic phase boundary

The lattice strain and domain switching behavior of xBiScO(3)-(1-x) PbTiO3 (x = 0.40) was investigated as a function of cyclic field and grain orientation by in situ X-ray diffraction during application of electric fields. The electric field induced 200 lattice strain was measured to be five times larger than the 111 lattice strain in pseudorhombohedral xBiScO(3)-(1-x) PbTiO3 (x = 0.40). It is shown that the anomalous 200 lattice strain is not an intrinsic phenomenon, but arises primarily due to stress associated with the reorientation of the 111 domains in dense polycrystalline ceramic. (C) 2015 AIP Publishing LLC.

EXPERIMENTAL INVESTIGATION OF UNSTEADY FLOW IN A TRANSONIC UNI-STAGE AXIAL COMPRESSOR

Detailed steady and unsteady experimental measurements and analysis were performed on a Single stage Transonic Axial Compressor with asymmetric rotor tip clearance for studying the compressor stall phenomena. The installed compressor had asymmetric tip clearance around the rotor casing varying from about 0.65mm to 1.25mm. A calibrated 5-hole aerodynamic probe was traversed radially at exit of rotor and showed the characteristics of increased flow angle at lower mass flow rates for all the speeds. Mach number distribution and boundary layer effects were also clearly captured. Unsteady measurements for velocity were carried out to study the stall cell behavior using a single component calibrated hotwire probe oriented in axial and tangential directions for choke/free flow and near stall conditions. The hotwire probe was traversed radially across the annulus at inlet to the compressor and showed that the velocity fluctuations were dissimilar when probe was aligned axial and tangential to the flow. Averaged velocities across the annulus showed the reduction in velocity as stall was approached. Axial mean flow velocity decreased across the annulus for all the speeds investigated. Tangential velocity at free flow condition was higher at the tip region due to larger radius. At stall condition, the tangential velocity showed decreased velocities at the tip and slightly increased velocities at the hub section indicating that the flow has breakdown at the tip region of the blade and fluid is accelerated below the blockage zone. The averaged turbulent intensity in axial and tangential flow directions increased from free flow to stall condition for all compressor rated speeds. Fast Fourier Transform (FFT) of the raw signals at stall flow condition showed stall cell and its corresponding frequency of occurrence. The stalling frequency of about half of rotational speed of the rotor along with large tip clearance suggests that modal type stall inception was occurring.

PREDICTION OF TRANSITIONAL AND SEPARATED BOUNDARY LAYERS IN A COMPRESSOR CASCADE

Numerical simulations were performed of experiments from a cascade of stator blades at three low Reynolds numbers representative of flight conditions. Solutions were assessed by comparing blade surface pressures, velocity and turbulence intensity along blade normals at several stations along the suction surface and in the wake. At Re = 210,000 and 380,000 the laminar boundary layer over the suction surface separates and reattaches with significant turbulence fluctuations. A new 3-equation transition model, the k-k(L)-omega model, was used to simulate this flow. Predicted locations of the separation bubble, and profiles of velocity and turbulence fluctuations on blade-normal lines at various stations along the blade were found to be quite close to measurements. Suction surface pressure distributions were not as close at the lower Re. The solution with the standard k-omega SST model showed significant differences in all quantities. At Re = 640,000 transition occurs earlier and it is a turbulent boundary layer that separates near the trailing edge. The solution with the Reynolds stress model was found to be quite close to the experiment in the separated region also, unlike the k-omega SST solution. Three-dimensional computations were performed at Re = 380,000 and 640,000. In both cases there were no significant differences between the midspan solution from 3D computations and the 2D solutions. However, the 3D solutions exhibited flow features observed in the experiments the nearly 2D structure of the flow over most of the span at 380,000 and the spanwise growth of corner vortices from the endwall at 640,000.

Supersymmetry: Boundary conditions and edge states

When spatial boundaries are inserted, supersymmetry (SUSY) can be broken. We have shown that in an N = 2 supersymmetric theory, all local boundary conditions allowed by self-adjointness of the Hamiltonian break N = 2 SUSY, while only a few of these boundary conditions preserve N = 1 SUSY. We have also shown that for a subset of the boundary conditions compatible with N = 1 SUSY, there exist fermionic ground states which are localized near the boundary. We also show that only very few nonlocal boundary conditions like periodic boundary conditions preserve full N = 2 supersymmetry, but none of them exhibits edge states.

Local structure of boundary layer transition in experiments with a single streamwise vortex

Transition induced by an isolated streamwise vortex embedded in a flat plate boundary layer was studied experimentally. The vortex was created by a gentle hill with a Gaussian profile that spanned on half of the width of a flat plate mounted in a low turbulence wind tunnel. PIV and hot-wire anemometry data were taken. Transition occurs as a non-inclined shear layer breaks up into a sequence of vortices, close to the boundary layer edge. The passing frequency of these vortices scales with square of the freestream velocity, similar to that in single-roughness induced transition. Quadrant analysis of streamwise and wall-normal velocity fluctuations show large ejection events in the outer layer. (C) 2015 Elsevier Inc. All rights reserved.

Phase boundary at x=0.03 and its anomalous influence on the structure and properties in the lead-free piezoelectric (1-x)Na1/2Bi1/2TiO3-(x)BaTiO3

The complexity associated with local structures continues to pose challenges with regard to the understanding of the structure-property relationship in Na1/2Bi1/2TiO3-based lead-free piezoceramics. (1-x)Na1/2Bi1/2TiO3-(x)BaTiO3 is an extensively studied system because of its interesting piezoelectric properties. Recently, a room temperature phase boundary was reported at x = 0.03 in this system Ma et al., Adv. Funct. Mater. 23, 5261 (2013)]. In the present work we have examined this subtle phase boundary using x-ray diffraction, neutron diffraction, dielectric measurements as a function of composition (x < 0.06), temperature, and electric field. Our results show that this boundary separates an R3c + Cc-like structural state for x < 0.03 from an R3c+ cubiclike structural state for 0.03 <= x <= 0.05 in the unpoled specimens. This phase boundary is characterized by an anomalous reduction in the depolarization temperature, and a suppression of the tetragonal distortion of the high temperature P4bm phase. Our results also provide the clue to understand the pathway leading to the cubiclike structure of the critical composition x = 0.06, known for its highest piezoelectric response.

Instabilities in unsteady boundary layers with reverse flow

Instabilities arising in unsteady boundary layers with reverse flow have been investigated experimentally. Experiments are conducted in a piston driven unsteady water tunnel with a shallow angle diffuser placed in the test section. The ratio of temporal (Pi(t)) to spatial (Pi(x)) component of the pressure gradient can be varied by a controlled motion of the piston. In all the experiments, the piston velocity variation with time is trapezoidal consisting of three phases: constant acceleration from rest, constant velocity and constant deceleration to rest. The adverse pressure gradient (and reverse flow) are due to a combination of spatial deceleration of the free stream in the diffuser and temporal deceleration of the free stream caused by the piston deceleration. The instability is usually initiated with the formation of one or more vortices. The onset of reverse flow in the boundary layer, location and time of formation of the first vortex and the subsequent flow evolution are studied for various values of the ratio Pi(x) (Pi(x) + Pi(t)) for the bottom and the top walls. Instability is due to the inflectional velocity profiles of the unsteady boundary layer. The instability is localized and spreads to the other regions at later times. At higher Reynolds numbers growth rate of instability is higher and localized transition to turbulence is observed. Scalings have been proposed for initial vortex formation time and wavelength of the instability vortices. Initial vortex formation time scales with convective time, delta/Delta U, where S is the boundary layer thickness and Delta U is the difference of maximum and minimum velocities in the boundary layer. Non-dimensional vortex formation time based on convective time scale for the bottom and the top walls are found to be 23 and 30 respectively. Wavelength of instability vortices scales with the time averaged boundary layer thickness. (C) 2015 Elsevier Masson SAS. All rights reserved.

Dynamos driven by weak thermal convection and heterogeneous outer boundary heat flux

We use numerical dynamo models with heterogeneous core-mantle boundary (CMB) heat flux to show that lower mantle lateral thermal variability may help support a dynamo under weak thermal convection. In our reference models with homogeneous CMB heat flux, convection is either marginally supercritical or absent, always below the threshold for dynamo onset. We find that lateral CMB heat flux variations organize the flow in the core into patterns that favour the growth of an early magnetic field. Heat flux patterns symmetric about the equator produce non-reversing magnetic fields, whereas anti-symmetric patterns produce polarity reversals. Our results may explain the existence of the geodynamo prior to inner core nucleation under a tight energy budget. Furthermore, in order to sustain a strong geomagnetic field, the lower mantle thermal distribution was likely dominantly symmetric about the equator. (C) 2015 Elsevier B.V. All rights reserved.

Anomalous reduction in domain wall displacement at the morphotropic phase boundary of the piezoelectric alloy system PbTiO3-BiScO3

A comparative study of field-induced domain switching and lattice strain was carried out by in situ electric-field-dependent high-energy synchrotron x-ray diffraction on a morphotropic phase boundary (MPB) and a near-MPB rhombohedral/pseudomonoclinic composition of a high-performance piezoelectric alloy (1-x) PbTiO3-(x)BiScO3. It is demonstrated that the MPB composition showing large d(33) similar to 425 pC/N exhibits significantly reduced propensity of field-induced domain switching as compared to the non-MPB rhombohedral composition (d(33) similar to 260 pC/N). These experimental observations contradict the basic premise of the martensitic-theory-based explanation which emphasizes on enhanced domain wall motion as the primary factor for the anomalous piezoelectric response in MPB piezoelectrics. Our results favor field-induced structural transformation to be the primary mechanism contributing to the large piezoresponse of the critical MPB composition of this system.

Flow Investigation of Linear Cluster Plug Nozzle

Computational and experimental tools have been used to understand the linear cluster plug nozzle flowfield for a range of pressure ratios. The experimental cluster configuration is arrived at from a linear plug nozzle by introducing splitter plates in the primary nozzle, and computational analysis of corresponding geometry is also carried out. The flow development on the plug surface has been analyzed for two different cluster module spacings. The interactions between the cluster module jets is a complex one with a three-dimensional shock structure because of the differential end condition the shock experiences on the plug wall and freejet boundary. A prominent streamwise vorticity resulting from curvature of the shock is also seen along the length of the plug downstream of the module junctions. The out-of-phase wave interactions occurring along the module centerline and the splitter plate centerline, resulting in a wavy surface-limiting streamline pattern, particularly at lower pressure ratios, is explained.

Explicit and Unique Construction of Tetrablock Unitary Dilation in a Certain Case

Consider the domain E in defined by This is called the tetrablock. This paper constructs explicit boundary normal dilation for a triple (A, B, P) of commuting bounded operators which has as a spectral set. We show that the dilation is minimal and unique under a certain natural condition. As is well-known, uniqueness of minimal dilation usually does not hold good in several variables, e.g., Ando's dilation is known to be not unique, see Li and Timotin (J Funct Anal 154:1-16, 1998). However, in the case of the tetrablock, the third component of the dilation can be chosen in such a way as to ensure uniqueness.