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At least 433 records · Page 24

Experimental study of vorticity-strain rate interaction in turbulent partially-premixed jet flames using tomographic particle image velocimetry

In turbulent flows, the interaction between vorticity, ω, and strain rate, s, is considered a primary mechanism for the transfer of energy from large to small scales through vortex stretching. The ω-s coupling in turbulent jet flames is investigated using tomographic particle image velocimetry (TPIV). TPIV provides a direct measurement of the three-dimensional velocity field from which ω and s are determined. The effects of combustion and mean shear on the ω-s interaction are investigated in turbulent partially premixed methane/air jet flames with high and low probabilities of localized extinction as well as in a non-reacting isothermal air jet with Reynolds number of approximately 13,000. Results show that combustion causes structures of high vorticity and strain rate to agglomerate in highly correlated, elongated layers that span the height of the probe volume. In the non-reacting jet, these structures have a more varied morphology, greater fragmentation, and are not as well correlated. The enhanced spatiotemporal correlation of vorticity and strain rate in the stable flame results in stronger ω-s interaction characterized by increased enstrophy and strain-rate production rates via vortex stretching and straining, respectively. The probability of preferential local alignment between ω and the eigenvector of the intermediate principal strain rate, s 2 , which is intrinsic to the ω-s coupling in turbulent flows, is larger in the flames and increases with the flame stability. The larger mean shear in the flame imposes a preferential orientation of ω and s 2 tangential to the shear layer. The extensive and compressive principal strain rates, s 1 and s 3 , respectively, are preferentially oriented at approximately 45° with respect to the jet axis. As a result, the production rates of strain and vorticity tend to be dominated by instances in which ω is parallel to the s 1 ¯-s 2 ¯ plane and orthogonal to s 3 ¯.

42 ENGINEERING↗

Influence of the anions on the N-cationic benzethonium salts in the solid state and solution: Chloride, bromide, hydroxide and citrate hydrates

The crystal structures of the hydrated cationic surfactant benzethonium (Bzth) chloride, bromide, hydroxide, and citrate have been determined by X-ray diffraction analysis and compared with their structures in solution well above their critical micelle concentration. The differences in the nature of the various anions of the four Bzth-X materials lead to unique anion environments and 3-D molecular arrangements. The water molecule in the monoclinic Bzth-Cl or Bzth-Br forms is hydrogen bonded to the halides and particularly to the hydrogens of the methoxy groups of the Bzth moiety notwithstanding the weak Brønsted acidity of the methoxy hydrogens. The citrate strongly interacts with the hydrogens of the methoxy group forming an embedded anionic spherical cluster of a radius of 2.6 Å. The Bzth-OH crystallizes in a hexagonal lattice with two water molecules and reveals free water molecules forming hydrogen bonded channels through the Bzth-OH crystal along the c-axis. The distances between the cationic nitrogen and the halides are 4.04 Å and 4.20 Å, significantly longer than expected for typical van der Waals distances of 3.30 Å. The structures show weakly interacting, alternating apolar and polar layers, which run parallel to the crystallographic a-b planes or a-c planes. The Bzth-X salts were also examined in aqueous solution containing 20% (v/v) ethanol and 1.0 % (v/v) glycerol well above their critical micelle concentration by small-angle X-ray scattering (SAXS) and wide-angle X-ray scattering (WAXS). The [1,1,1] planes for the Bzth Cl or Br, the [0,0,2] and [1,1,0] planes for the Bzth-citrate, the [2,-1,0] planes and the [0,0,1] planes for the Bzth-OH found in the crystalline phase were also present in the solution phase, accordingly, the preservation of these phases are a strong indication of periodicity in the solution phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron transport in graphene/graphene side-contact junction by plane-wave multiple-scattering method

Electron transport in graphene is along the sheet but junction devices are often made by stacking different sheets together in a “side-contact” geometry which causes the current to flow perpendicular to the sheets within the device. Such geometry presents a challenge to first-principles transport methods. We solve this problem by implementing a plane-wave-based multiple-scattering theory for electron transport. In this study, this implementation improves the computational efficiency over the existing plane-wave transport code, scales better for parallelization over large number of nodes, and does not require the current direction to be along a lattice axis. As a first application, we calculate the tunneling current through a side-contact graphene junction formed by two separate graphene sheets with the edges overlapping each other. We find that transport properties of this junction depend strongly on the AA or AB stacking within the overlapping region as well as the vacuum gap between two graphene sheets. Finally, such transport behaviors are explained in terms of carbon orbital orientation, hybridization, and delocalization as the geometry is varied.

36 MATERIALS SCIENCE↗

Crack Front Segmentation and Facet Coarsening in Mixed-Mode Fracture

A planar crack generically segments into an array of “daughter cracks” shaped as tilted facets when loaded with both a tensile stress normal to the crack plane (mode I) and a shear stress parallel to the crack front (mode III). We investigate facet propagation and coarsening using in situ microscopy observations of fracture surfaces at different stages of quasistatic mixed-mode crack propagation and phase-field simulations. The results demonstrate that the bifurcation from propagating a planar to segmented crack front is strongly subcritical, reconciling previous theoretical predictions of linear stability analysis with experimental observations. As a result, they further show that facet coarsening is a self-similar process driven by a spatial period-doubling instability of facet arrays.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

TU-H-CAMPUS-IeP3-02: Neurovascular 4D Parametric Imaging Using Co-Registration of Biplane DSA Sequences with 3D Vascular Geometry Obtained From Cone Beam CT

Purpose: To create 4D parametric images using biplane Digital Subtraction Angiography (DSA) sequences co-registered with the 3D vascular geometry obtained from Cone Beam-CT (CBCT). Methods: We investigated a method to derive multiple 4D Parametric Imaging (PI) maps using only one CBCT acquisition. During this procedure a 3D-DSA geometry is stored and used subsequently for all 4D images. Each time a biplane DSA is acquired, we calculate 2D parametric maps of Bolus Arrival Time (BAT), Mean Transit Time (MTT) and Time to Peak (TTP). Arterial segments which are nearly parallel with one of the biplane imaging planes in the 2D parametric maps are co-registered with the 3D geometry. The values in the remaining vascular network are found using spline interpolation since the points chosen for co-registration on the vasculature are discrete and remaining regions need to be interpolated. To evaluate the method we used a patient CT volume data set for 3D printing a neurovascular phantom containing a complete Circle of Willis. We connected the phantom to a flow loop with a peristaltic pump, simulating physiological flow conditions. Contrast media was injected with an automatic injector at 10 ml/sec. Images were acquired with a Toshiba Infinix C-arm and 4D parametric image maps of the vasculature were calculated. Results: 4D BAT, MTT, and TTP parametric image maps of the Circle of Willis were derived. We generated color-coded 3D geometries which avoided artifacts due to vessel overlap or foreshortening in the projection direction. Conclusion: The software was tested successfully and multiple 4D parametric images were obtained from biplane DSA sequences without the need to acquire additional 3D-DSA runs. This can benefit the patient by reducing the contrast media and the radiation dose normally associated with these procedures. Partial support from NIH Grant R01-EB002873 and Toshiba Medical Systems Corp.

60 APPLIED LIFE SCIENCES↗

Conversion acoustic resonances in orthorhombic crystals

A classification of acoustic-beam reflection resonances in orthorhombic crystals under conditions where a proximity to conversion is implemented in the vicinity of total internal reflection is proposed. In this case, the energy from the incident pump beam falls almost entirely into a narrow intense reflected beam propagating at a small angle with respect to the surface. The crystal boundary is parallel to one of the elastic symmetry planes, and the excited beam propagates near one of axes 2 in this plane. Depending on the relations between the elastic moduli and the chosen propagation geometry, 18 types of resonances may occur, but no more than three in each crystal. The developed theory combines an approximate analytical description and accurate computer analysis. The relations between the elastic moduli providing minimum energy loss over the parasite reflected wave are determined. Some crystals with resonant excitation very close to conversion are revealed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Accelerating Collective Communication in Data Parallel Training across Deep Learning Frameworks

This work develops new techniques within Horovod, a generic communication library supporting data parallel training across deep learning frameworks. In particular, we improve the Horovod control plane by implementing a new coordination scheme that takes advantage of the characteristics of the typical data parallel training paradigm, namely the repeated execution of collectives on the gradients of a fixed set of tensors. Using a caching strategy, we execute Horovod’s existing coordinator-worker logic only once during a typical training run, replacing it with a more efficient decentralized orchestration strategy using the cached data and a global intersection of a bitvector for the remaining training duration. Next, we introduce a feature for end users to explicitly group collective operations, enabling finer grained control over the communication buffer sizes. To evaluate our proposed strategies, we conduct experiments on a world-class supercomputer — Summit. We compare our proposals to Horovod’s original design and observe 2x performance improvement at a scale of 6000 GPUs; we also compare them against tf.distribute and torch.DDP and achieve 12% better and comparable performance, respectively, using up to 1536 GPUs; we compare our solution against BytePS in typical HPC settings and achieve about 20% better performance on a scale of 768 GPUs. Finally, we test our strategies on a scientific application (STEMDL) using up to 27,600 GPUs (the entire Summit) and show that we achieve a near-linear scaling of 0.93 with a sustained performance of 1.54 exaflops (with standard error +- 0.02) in FP16 precision.

Romero, Joshua↗

Stable Geometry of a Plane Five-Link Mechanism

A five-link mechanism of parallel structure with rotary kinematic pairs is considered. Possible configurations of the mechanism, its working regions, and singular positions are discussed. Possible optimization of its working zone without singular positions of the second kind is analyzed.

42 ENGINEERING↗

Spin-orbit torques for current parallel and perpendicular to a domain wall

We report field- and current-induced domain wall (DW) depinning experiments in Ta\Co{sub 20}Fe{sub 60}B{sub 20}\MgO nanowires through a Hall cross geometry. While purely field-induced depinning shows no angular dependence on in-plane fields, the effect of the current depends crucially on the internal DW structure, which we manipulate by an external magnetic in-plane field. We show depinning measurements for a current sent parallel to the DW and compare its depinning efficiency with the conventional case of current flowing perpendicularly to the DW. We find that the maximum efficiency is similar for both current directions within the error bars, which is in line with a dominating damping-like spin-orbit torque (SOT) and indicates that no large additional torques arise for currents perpendicular to the DW. Finally, we find a varying dependence of the maximum depinning efficiency angle for different DWs and pinning levels. This emphasizes the importance of our full angular scans compared with previously used measurements for just two field directions (parallel and perpendicular to the DW) to determine the real torque strength and shows the sensitivity of the SOT to the precise DW structure and pinning sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Construction and Design of a full size sTGC prototype for the ATLAS New Small Wheel upgrade

For the forthcoming Phase-I upgrade to the LHC (2018/19), the first station of the ATLAS muon end-cap system, Small Wheel, will need to be replaced. The New Small Wheel (NSW) will have to operate in a high background radiation region while reconstructing muon tracks with high precision as well as furnishing information for the Level-1 trigger. In particular, the precision reconstruction of tracks requires a spatial resolution of about 100 μm, and the Level-1 trigger track segments have to be reconstructed with an angular resolution of approximately 1 mrad. The NSW will have two chamber technologies, one primarily devoted to the Level-1 trigger function the small-strip Thin Gap Chambers (sTGC) and one dedicated to precision tracking, Micromegas detectors, (MM). The single sTGC planes of a quadruplet consists of an anode layer of 50 μm gold plated tungsten wire sandwiched between two resistive cathode layers. Behind one of the resistive cathode layers, a PCB with precise machined strips (thus the name sTGC's) spaced every 3.2 mm allows to achieve the position resolution that ranges from 70 to 150 μm, depending on the incident particle angle. Behind the second cathode, a PCB that contains an arrangement of pads, allows for a fast coincidence between successive sTGC layers to tag the passage of a track and reads only the corresponding strips for triggering. To be able to profit from the high accuracy of each of the sTGC planes for trigger purposes, their relative geometrical position between planes has to be controlled to within a precision of about 40 μm in their parallelism, as well (due to the various incident angles), to within a precision of 80 μm in the relative distance between the planes to achieve the overall angular resolution of 1 mrad. The needed accuracy in the position and parallelism of the strips is achieved by machining brass inserts together when machining the strip patterns into the cathode boards in a single step. The inserts can then be used as external references on a granite table. Precision methods are used to maintain high accuracy when combining four single detector gaps first into two doublets and then into a quadruplet. We will present results on the ongoing construction of full size (∼1 x 1 m) sTGC quadruplet prototypes before full construction starts in 2015. (authors)

43 PARTICLE ACCELERATORS↗

NaCo 2 (SeO 3 ) 2 (OH): competing magnetic ground states of a new sawtooth structure with 3d 7 Co 2+ ions

While certain magnetic sublattices have long been known theoretically to give rise to emergent physics via competing magnetic interactions and quantum effects, finding such configurations in real materials is often deeply challenging. Here we report the synthesis and characterization of a new such material, NaCo 2 (SeO 3 ) 2 (OH) which crystallizes with a highly frustrated sublattice of sawtooth Co 2+ chains. Single crystals of NaCo 2 (SeO 3 ) 2 (OH) were synthesized using a low-temperature hydrothermal method. X-ray single crystal structure analysis reveals that the material crystallizes in orthorhombic space group of Pnma (no. 62). Its crystal structure exhibits one-dimensional chains of corner-sharing isosceles triangles that are made of two crystallographically distinct 3d 7 Co 2+ sites (Co(1) and Co(2)). The chains run along the b-axis and are interconnected via [SeO 3 ] groups to form a three-dimensional structure mediating super-exchange interactions. The temperature dependent magnetization data show a ferromagnetic-like (FM) transition at 11 K (T 1 ) followed by an antiferromagnetic (AFM) transition at about 6 K (T 2 ). Neutron-powder diffraction measurements reveal that at T 1 = 11 K only the Co(2) site orders magnetically, forming ferromagnetic zigzag chains along the b-axis. Below T 2 = 6 K, both Co(1) and Co(2) sites order in a nearly orthogonal configuration, with Co(1) moments lying inside the plane of the sawtooth chain while Co(2) moments cant out of the plane. The canting of the magnetic moments leads to a net ferromagnetic component along b-axis, parallel to the chain direction. The ordered moments are fully compensated in the ac-plane. Inelastic neutron scattering measurements reveal crystal field excitations that are consistent with the presence of a spin–orbital entangled pseudo-spin state J eff = 1/2 for the Co 2+ ions. Low-energy spin-wave excitations are observed below the second magnetic transition. The analysis of powder excitation spectrum suggests complex exchange interactions that go beyond a Heisenberg Hamiltonian model with nearest neighbor couplings. Our results demonstrate the richness of the magnetic properties of sawtooth-type structures and encourage the study of similar structures with different oxyanion groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synergetic Strengthening of Grain Refinement and Texture in Gradient Zircaloy-4 by Surface Mechanical Rolling Treatment

A Zircaloy-4 rod was subjected to surface mechanical rolling treatment (SMRT) to form a gradient structure, and the evolution of the resulting sub-grain-boundary property and texture across the gradient structure was characterized using electron backscattered diffraction. Dual-gradient structures in grain size and orientation were formed; the grain size was refined from several microns at the center to approximately 400 nm at the topmost surface. Texture analysis revealed that the c-axis gradually tilted from a random orientation toward the parallel-to-radial direction on the radial–tangential plane. The SMRT-induced formation of the dual-gradient microstructure is attributed to the formation of gradient distributions of stress and strain, which resulted in various deformation mechanisms (twinning and dislocation) being active at different depths. During the SMRT process, twinning and dislocations were activated to refine the grains. When the dual-gradient microstructure formed, twinning was mainly activated at the subsurface near the matrix, whereas dislocations were activated across the entire gradient. The geometrically necessary dislocation density increased with decreasing depth and then slightly decreased near the surface. The synergetic strengthening of the dual-gradient microstructure resulted in a gradient distribution of the microhardness near the surface. Thus, the Zircaloy-4 rod exhibited a good combination of strength and ductility.

36 MATERIALS SCIENCE↗

Four-dimensional microstructurally small fatigue crack growth in cyclically loaded nickel superalloy specimen

Here, we nondestructively image a low-solvus high refractory (LSHR) nickel base specimen microstructure during cyclic loading to characterize crack propagation during the microstructurally small crack (MSC) growth regime. Micro-computed tomography (uCT) is used to characterize the material density and identify crack interfaces, while high-energy diffraction microscopy (HEDM) provides snapshots of the microstructural orientation field changes. From these measurements, data are computationally reconstructed and coregistered to describe the specimen’s configuration before load, before crack nucleation, and throughout the crack propagation/loading process. An MSC forms at a FIB-cut notch, which was previously placed to concentrate stress at the center of the specimen gauge, and propagates along a facet parallel to the local {1 1 1} crystallographic plane. Analysis of available crystallographic slip directions and measured point-to-point disorientation axes indicate probable single and coplanar slip activity along FCC octahedral planes within this region. Similar analyses of other crack propagation facets reveal generally slower growth along directions favoring zig-zag cross and codirectional cross slip, which are often disfavored at room temperature.

36 MATERIALS SCIENCE↗

Self-Trapped-Exciton Radiative Recombination in β–Ga 2 O 3 : Impact of Two Concurrent Nonradiative Auger Processes

The peculiarities of radiative and nonradiative processes associated with self-trapped intrinsic eXcitons in the excited β-Ga 2 O 3 crystals are studied via time-resolved techniques of induced absorption, transient grating, and photoluminescence (PL) at room temperature. The excitation above the bandgap is produced by laser pulses with linear light polarization parallel and orthogonal in the (–201) and (001) planes. We elucidate that the nonradiative recombination rate occurring in the eXciton prevails over its radiative emission rate in a wide range of free carrier concentration composed of excited and equilibrium electrons. Hence, the nonradiative recombination has no effect on the strong anisotropy and the shape of the eXciton emission band. However, we find out that the conventional ABC model of electron effective lifetime is insufficient for explanation of the excitation dependences. Inclusion of two nonradiative Auger mechanisms in a modified ABC formula provides excellent agreement of these dependences. We conclude that the trap-assisted Auger process is in proportion to the free electron density with coefficient B = 1.1 × 10 –11 cm 3 /s and appears at low/intermediate excitation, while the triple-particle Auger process is in proportion to Δn 2 with coefficient C = 8 × 10 –30 cm 6 /s and appears at high excitation conditions. The transition between two Auger mechanisms is accompanied by a rise of the eXciton diffusivity in preferred crystallographic directions where the radiative PL intensity is maximal. The diffusion length LD in these directions can reach values ~300 nm, but, at high excitations, LD becomes limited by Auger lifetimes. These findings pave the way for the implementation of self-trapped eXcitons into specific optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Long-range antiferromagnetic order in malonate-based compounds Na 2 M(H 2 C 3 O 4 ) 2 ·2H 2 O (M = Mn, Fe, Co, Ni)

In this work, the recently discovered metal-malonate compounds of formulae Na 2 M(H 2 C 3 O 4 ) 2 ·2H 2 O with M = Mn, Fe, Co, Ni are investigated for their magnetic properties. While the Cu-based material is a weak ferromagnet, all other members present antiferromagnetic interactions. Neutron powder diffraction experiments reveal the establishment of a long range magnetic order at low temperature in the Pbca Shubnikov magnetic group. The magnetic structures are characterized by antiferromagnetic layers perpendicular to [001]. These layers are stacked antiparallel (M = Fe) or parallel (M = Mn, Ni) in the ( a , c ) plane. Magnetic moments are collinear to b for the former and to c for the latter. The M = Co malonate exhibits a non-collinear magnetic structure intermediate between the two latter, with components along b and c . Density functional theory calculations indicate that the dominant magnetic interaction, J 1 , occurs along a malonate group via a carboxylate and links two transition metals within the same layer, while other interactions (inter- or intra-layer) are much weaker, so that these compounds present the dominant characteristics of 2D-antiferromagnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Planck intermediate results: XXXVIII. E - and B -modes of dust polarization from the magnetized filamentary structure of the interstellar medium

The quest for a B-mode imprint from primordial gravity waves on the polarization of the cosmic microwave background (CMB) requires the characterization of foreground polarization from Galactic dust. In this paper, we present a statistical study of the filamentary structure of the 353 GHz Planck Stokes maps at high Galactic latitude, relevant to the study of dust emission as a polarized foreground to the CMB. We filter the intensity and polarization maps to isolate filaments in the range of angular scales where the power asymmetry between E-modes and B-modes is observed. Using the Smoothed Hessian Major Axis Filament Finder (SMAFF), we identify 259 filaments at high Galactic latitude, with lengths larger or equal to 2° (corresponding to 3.5 pc in length for a typical distance of 100 pc). Thesefilaments show a preferred orientation parallel to the magnetic field projected onto the plane of the sky, derived from their polarization angles. We present mean maps of the filaments in Stokes I, Q, U, E, and B, computed by stacking individual images rotated to align the orientations of the filaments. Combining the stacked images and the histogram of relative orientations, we estimate the mean polarization fraction of the filaments to be 11%. Furthermore, we show that the correlation between the filaments and the magnetic field orientations may account for the E and B asymmetry and the C ℓ TE /C ℓ EE ratio, reported in the power spectra analysis of the Planck353 GHz polarization maps. Finally, future models of the dust foreground for CMB polarization studies will need to take into account the observed correlation between the dust polarization and the structure of interstellar matter.

79 ASTRONOMY AND ASTROPHYSICS↗

Controllable spin polarization and spin filtering in a zigzag silicene nanoribbon

Using non-equilibrium Green's function, we study the spin-dependent electron transport properties in a zigzag silicene nanoribbon. To produce and control spin polarization, it is assumed that two ferromagnetic strips are deposited on the both edges of the silicene nanoribbon and an electric field is perpendicularly applied to the nanoribbon plane. The spin polarization is studied for both parallel and anti-parallel configurations of exchange magnetic fields induced by the ferromagnetic strips. We find that complete spin polarization can take place in the presence of perpendicular electric field for anti-parallel configuration and the nanoribbon can work as a perfect spin filter. The spin direction of transmitted electrons can be easily changed from up to down and vice versa by reversing the electric field direction. For parallel configuration, perfect spin filtering can occur even in the absence of electric field. In this case, the spin direction can be changed by changing the electron energy. Finally, we investigate the effects of nonmagnetic Anderson disorder on spin dependent conductance and find that the perfect spin filtering properties of nanoribbon are destroyed by strong disorder, but the nanoribbon retains these properties in the presence of weak disorder.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗