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Complexity and entropy representation for machine component diagnostics

The Complexity-entropy causality plane (CECP) is a parsimonious representation space for time series. It has only two dimensions: normalized permutation entropy and Jensen-Shannon complexity of a time series. This two-dimensional representation allows for detection of slow or rapid drifts in the condition of mechanical components monitored through sensor measurements. The CECP representation can be used for both predictive analytics and visual monitoring of changes in component condition. This method requires minimal pre-processing of raw signals. Furthermore, it is insensitive to noise, stationarity, and trends. These desirable properties make CECP a good candidate for machine condition monitoring and fault diagnostics. In this work we study the effectiveness of CECP on three rotary component condition assessment applications. We use CECP representation of vibration signals to differentiate various machine component health conditions for rotary machine components, namely roller bearing and gears. The results confirm that the CECP representation is able to detect, with high accuracy, changes in underlying dynamics of machine component degradation states. From class separability perspective, the CECP representation is able to generate linearly separable classes for the classification of different fault states. This classification performance improves with increasing signal length. For signal length of 16,384 data points, the fault classification accuracy varies from 90% to 100% for bearing applications, and from 85% to 100% for gear applications. We observed that the optimum parameter for CECP representating depends on the application. For bearing applications we found that embedding dimension D = 4, 5, 6, and embedding delay τ = 1, 2, 3 are suitable for good fault classification. For gear applications we find that embedding dimension D = 4, 5, and embedding delay τ = 1, 5 are suitable for fault classification.

47 OTHER INSTRUMENTATION↗

Effects of Magnetic Field on the Turbulent Wake of a Cylinder in MHD Channel Flow

Results from a free-surface MHD flow experiment are presented detailing the modi cation of vortices in the wake of a circular cylinder with its axis parallel to the applied magnetic fi eld. Experiments were performed with a Reynolds number near Re ~ 104 as the interaction parameter, N = |j x B| / |ρ (υ • ∇), was increased through unity. By concurrently sampling the downstream fluid velocity at sixteen cross-stream locations in the wake, it was possible to extract an ensemble of azimuthal velocity profi les as a function of radius for vortices shed by the cylinder at varying strengths of magnetic field. Results indicate a signi cant change in vortex radius and rotation as N is increased. The lack of deviations from the vortex velocity pro file at high magnetic fi elds suggests the absence of small-scale turbulent features. By sampling the wake at three locations downstream in subsequent experiments, the decay of the vortices was examined and the effective viscosity was found to decrease as N-049±0.4. This reduction in effective viscosity is due to the modi cation of the small-scale eddies by the magnetic fi eld. The slope of the energy spectrum was observed to change from a k-1.8 power-law at low N to a k-3.5 power-law for N > 1. Together, these results suggest the flow smoothly transitioned to a quasi-two-dimensional state in the range 0 < N < 1.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dynamic population balance in molecular-level simulations of hypersonic flows

This report summarizes the work towards developing stochastic weighted particle methods (SWPM) for future application in hypersonic flows. Extensive changes to Sandia’s direct simulation Monte Carlo (DSMC) solver, SPARTA (Stochastic Particle Real Time Analyzer), were made to enable the necessary particle splitting and reduction capabilities for SWPM. The results from one-dimensional Couette and Fourier flows suggest that SWPM can reproduce the correct transport for a large range of Knudsen numbers with adequate accuracy. The associated velocity and temperature profiles are in good agreement with DSMC. An issue with particle placement during particle number reduction, is identified, to which, a simple but effective solution based on minimizing the center of mass error is proposed. High Mach wheel flows are simulated using the SWPM and DSMC methods. SWPM is capable of providing nearly an order of magnitude increase in efficiency over DSMC while retaining high accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

2D Optical Streaking for Ultra-Short Electron Beam Diagnostics

We propose a novel approach to measure short electron bunch profiles at micrometer level. Low energy electrons generated during beam-gas ionization are simultaneously modulated by the transverse electric field of a circularly-polarized laser, and then they are collected at a downstream screen where the angular modulation is converted to a circular shape. The longitudinal bunch profile is simply represented by the angular distribution of the electrons on the screen. We only need to know the laser wavelength for calibration and there is no phase synchronization problem. Meanwhile the required laser power is also relatively low in this setup. Some simulations examples and experimental consideration of this method are discussed. At Linac Coherent Light Source (LCLS), an S-band RF transverse deflector (TCAV) is used to measure the bunch length with a resolution 10 femtosecond (fs) rms. An X-band deflector (wavelength 2.6cm) is proposed recently to improve the resolution. However, at the low charge operation mode (20pC), the pulse length can be as short as fs. It is very challenging to measure femtosecond and sub-femtosecond level bunch length. One of the methods is switching from RF to {mu}m level wavelength laser to deflect the bunch. A powerful laser ({approx}10s GW) is required to deflect such a high energy beam (GeV) in a wiggler. Synchronization is another difficulty: the jitter between the bunch and the laser can be larger than the laser wavelength, which makes single-shot measurement impossible. To reduce the laser power, we propose to use ionized electrons from high energy electron beam and gas interaction for high energy electron bunch diagnostics. Similarly, the femtosecond X-ray streak camera uses X-ray ionization electrons to measure the X-ray pulse. The electrons generated by beam-gas ionization have low energy (eVs). Therefore, a lower laser power is possible to deflect such low energy electrons. Note that there is no field ionization in our case. To avoid field ionization, which occurs in plasma case, gases species with high field ionization threshold should be considered. For a linear polarized laser, the kick to the ionized electrons depends on the phase of the laser when the electrons are born and the unknown timing jitter between the electron beam and laser beam makes the data analysis very difficult. Here we propose to use a circular polarized laser to do a 2-dimensional (2D) streaking (both x and y) and measure the bunch length from the angular distribution on the screen, where the phase jitter causes only a rotation of the image on the screen without changing of the relative angular distribution. Also we only need to know the laser wavelength for calibration. A similar circular RF deflecting mode was used to measure long bunches. We developed a numerical particle-in-Cell (PIC) code to study the dynamics of ionization electrons with the high energy beam and the laser beam.

43 PARTICLE ACCELERATORS↗

Formation mechanism of superconducting phase and its three-dimensional architecture in pseudo-single-crystal K x Fe 2-y Se 2

Here, we report how the superconducting phase forms in pseudo-single-crystal K x Fe 2-y Se 2 . In situ scanning electron microscopy (SEM) observation reveals that, as an order-disorder transition occurs, on cooling, most of the high-temperature iron-vacancy-disordered phase gradually changes into the iron-vacancy-ordered phase whereas a small quantity of the high-temperature phase retains its structure and aggregates to the stripes with more iron concentration but less potassium concentration compared to the iron-vacancy-ordered phase. The stripes that are generally recognized as the superconducting phase are actually formed as a remnant of the high-temperature phase with a compositional change after an “imperfect” order-disorder transition. It should be emphasized that the phase separation in pseudo-single-crystal K x Fe 2-y Se 2 is caused by the iron-vacancy order-disorder transition. The shrinkage of the high-temperature phase and the expansion of the newly created iron-vacancy-ordered phase during the phase separation rule out the mechanism of spinodal decomposition proposed in an early report [Wang et al, Phys. Rev. B 91, 064513 (2015)]. Since the formation of the superconducting phase relies on the occurrence of the iron-vacancy order-disorder transition, it is impossible to synthesize a pure superconducting phase by a conventional solid state reaction or melt growth. By focused ion beam-scanning electron microscopy, we further demonstrate that the superconducting phase forms a contiguous three-dimensional architecture composed of parallelepipeds that have a coherent orientation relationship with the iron-vacancy-ordered phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hubble space telescope observations and geometric models of compact multipolar planetary nebulae

We report high angular resolution Hubble Space Telescope observations of 10 compact planetary nebulae (PNs). Many interesting internal structures, including multipolar lobes, arcs, two-dimensional rings, tori, and halos, are revealed for the first time. These results suggest that multipolar structures are common among PNs, and these structures develop early in their evolution. From three-dimensional geometric models, we have determined the intrinsic dimensions of the lobes. Assuming the lobes are the result of interactions between later-developed fast winds and previously ejected asymptotic giant branch winds, the geometric structures of these PNs suggest that there are multiple phases of fast winds separated by temporal variations and/or directional changes. A scenario of evolution from lobe-dominated to cavity-dominated stages is presented. The results reported here will provide serious constraints on any dynamical models of PNs.

79 ASTRONOMY AND ASTROPHYSICS↗

Freshwater Input and Vertical Mixing in the Canada Basin’s Seasonal Halocline: 1975 versus 2006–12

Abstract The Arctic seasonal halocline impacts the exchange of heat, energy, and nutrients between the surface and the deeper ocean, and it is changing in response to Arctic sea ice melt over the past several decades. Here, we assess seasonal halocline formation in 1975 and 2006–12 by comparing daily, May–September, salinity profiles collected in the Canada Basin under sea ice. We evaluate differences between the two time periods using a one-dimensional (1D) bulk model to quantify differences in freshwater input and vertical mixing. The 1D metrics indicate that two separate factors contribute similarly to stronger stratification in 2006–12 relative to 1975: 1) larger surface freshwater input and 2) less vertical mixing of that freshwater. The larger freshwater input is mainly important in August–September, consistent with a longer melt season in recent years. The reduced vertical mixing is mainly important from June until mid-August, when similar levels of freshwater input in 1975 and 2006–12 are mixed over a different depth range, resulting in different stratification. These results imply that decadal changes to ice–ocean dynamics, in addition to freshwater input, significantly contribute to the stronger seasonal stratification in 2006–12 relative to 1975. These findings highlight the need for near-surface process studies to elucidate the impact of lateral processes and ice–ocean momentum exchange on vertical mixing. Moreover, the results may provide insight for improving the representation of decadal changes to Arctic upper-ocean stratification in climate models that do not capture decadal changes to vertical mixing.

54 ENVIRONMENTAL SCIENCES↗

Impact of artificial topological changes on flow and transport through fractured media due to mesh resolution

Abstract We performed a set of numerical simulations to characterize the interplay of fracture network topology, upscaling, and mesh refinement on flow and transport properties in fractured porous media. We generated a set of generic three-dimensional discrete fracture networks at various densities, where the radii of the fractures were sampled from a truncated power-law distribution, and whose parameters were loosely based on field site characterizations. We also considered five network densities, which were defined using a dimensionless version of density based on percolation theory. Once the networks were generated, we upscaled them into a single continuum model using the upscaled discrete fracture matrix model presented by Sweeney et al. (2019). We considered steady, isothermal pressure-driven flow through each domain and then simulated conservative, decaying, and adsorbing tracers using a pulse injection into the domain. For each simulation, we calculated the effective permeability and solute breakthrough curves as quantities of interest to compare between network realizations. We found that selecting a mesh resolution such that the global topology of the upscaled mesh matches the fracture network is essential. If the upscaled mesh has a connected pathway of fracture (higher permeability) cells but the fracture network does not, then the estimates for effective permeability and solute breakthrough will be incorrect. False connections cannot be eliminated entirely, but they can be managed by choosing appropriate mesh resolution and refinement for a given network. Adopting octree meshing to obtain sufficient levels of refinement leads to fewer computational cells (up to a 90% reduction in overall cell count) when compared to using a uniform resolution grid and can result in a more accurate continuum representation of the true fracture network.

58 GEOSCIENCES↗

COSMIC SHEAR RESULTS FROM THE DEEP LENS SURVEY. I. JOINT CONSTRAINTS ON {Omega} {sub M} AND {sigma}{sub 8} WITH A TWO-DIMENSIONAL ANALYSIS

We present a cosmic shear study from the Deep Lens Survey (DLS), a deep BVRz multi-band imaging survey of five 4 deg{sup 2} fields with two National Optical Astronomy Observatory (NOAO) 4 m telescopes at Kitt Peak and Cerro Tololo. For both telescopes, the change of the point-spread-function (PSF) shape across the focal plane is complicated, and the exposure-to-exposure variation of this position-dependent PSF change is significant. We overcome this challenge by modeling the PSF separately for individual exposures and CCDs with principal component analysis (PCA). We find that stacking these PSFs reproduces the final PSF pattern on the mosaic image with high fidelity, and the method successfully separates PSF-induced systematics from gravitational lensing effects. We calibrate our shears and estimate the errors, utilizing an image simulator, which generates sheared ground-based galaxy images from deep Hubble Space Telescope archival data with a realistic atmospheric turbulence model. For cosmological parameter constraints, we marginalize over shear calibration error, photometric redshift uncertainty, and the Hubble constant. We use cosmology-dependent covariances for the Markov Chain Monte Carlo analysis and find that the role of this varying covariance is critical in our parameter estimation. Our current non-tomographic analysis alone constrains the {Omega} {sub M}-{sigma}{sub 8} likelihood contour tightly, providing a joint constraint of {Omega} {sub M} = 0.262 {+-} 0.051 and {sigma}{sub 8} = 0.868 {+-} 0.071. We expect that a future DLS weak-lensing tomographic study will further tighten these constraints because explicit treatment of the redshift dependence of cosmic shear more efficiently breaks the {Omega} {sub M}-{sigma}{sub 8} degeneracy. Combining the current results with the Wilkinson Microwave Anisotropy Probe 7 year (WMAP7) likelihood data, we obtain {Omega} {sub M} = 0.278 {+-} 0.018 and {sigma}{sub 8} = 0.815 {+-} 0.020.

79 ASTRONOMY AND ASTROPHYSICS↗

Two-dimensional second harmonic dispersion interferometer

An interferometer having a fundamental beam generator, a first second harmonic generator, a waveplate, a second second harmonic generator, a harmonic separator, and a polarizing beam splitter, mounted uniaxially, (i.e., the components are aligned along one optical axis), wherein the interferometer is adapted to change a diameter of a beam to match a diameter of a sample, and to change the diameter of the beam back to its original diameter.

Wessel, Frank Joseph↗

Low-kilovolt coherent electron diffractive imaging instrument based on a single-atom electron source

In this work, a transmission-type, low-kilovolt coherent electron diffractive imaging instrument was constructed. It comprised a single-atom field emitter, a triple-element electrostatic lens, a sample holder, and a retractable delay line detector to record the diffraction patterns at different positions behind the sample. It was designed to image materials thinner than 3 nm. The authors analyzed the asymmetric triple-element electrostatic lens for focusing the electron beams and achieved a focused beam spot of 87 nm on the sample plane at the electron energy of 2 kV. High-angle coherent diffraction patterns of a suspended graphene sample corresponding to (0.62 Å){sup −1} were recorded. This work demonstrated the potential of coherent diffractive imaging of thin two-dimensional materials, biological molecules, and nano-objects at a voltage between 1 and 10 kV. The ultimate goal of this instrument is to achieve atomic resolution of these materials with high contrast and little radiation damage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Application of 3A molecular sieve layer in dye-sensitized solar cells

3A molecular sieve layer was used as dehydration and electronic-insulation layer on the TiO{sub 2} electrode of dye-sensitized solar cells. This layer diminished the effect of water in electrolyte efficiently and enhanced the performance of cells. The conversion efficiency increased from 9.58% to 10.2%. The good moisture resistance of cells was attributed to the three-dimensional interconnecting structure of 3A molecular sieve with strong adsorption of water molecule. While the performance enhancement benefited from the suppression of the charge recombination of electronic-insulation layer and scattering effect of large particles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Vertical equilibrium, energetics, and star formation rates in magnetized galactic disks regulated by momentum feedback from supernovae

Recent hydrodynamic (HD) simulations have shown that galactic disks evolve to reach well-defined statistical equilibrium states. The star formation rate (SFR) self-regulates until energy injection by star formation feedback balances dissipation and cooling in the interstellar medium (ISM), and provides vertical pressure support to balance gravity. In this paper, we extend our previous models to allow for a range of initial magnetic field strengths and configurations, utilizing three-dimensional, magnetohydrodynamic (MHD) simulations. We show that a quasi-steady equilibrium state is established as rapidly for MHD as for HD models unless the initial magnetic field is very strong or very weak, which requires more time to reach saturation. Remarkably, models with initial magnetic energy varying by two orders of magnitude approach the same asymptotic state. In the fully saturated state of the fiducial model, the integrated energy proportions E{sub turb}:E{sub th}:δE{sub mag}: E-bar {sub mag} are 0.35:0.39:0.15:0.11, while the proportions of midplane support P{sub turb}:P{sub th}:δΠ{sub mag}: Π-bar {sub mag} are 0.49:0.18:0.18:0.15. Vertical profiles of total effective pressure satisfy vertical dynamical equilibrium with the total gas weight at all heights. We measure the “feedback yields” η{sub c}≡P{sub c}/Σ{sub SFR} (in suitable units) for each pressure component, finding that η{sub turb}∼3.5−4 and η{sub th}∼1.1−1.4 are the same for MHD as in previous HD simulations, and δη{sub mag}∼1.3−1.5. These yields can be used to predict the equilibrium SFR for a local region in a galaxy based on its observed gas and stellar surface densities and velocity dispersions. As the ISM weight (or dynamical equilibrium pressure) is fixed, an increase in η from turbulent magnetic fields reduces the predicted Σ{sub SFR} by ∼20−30% relative to the HD case.

79 ASTRONOMY AND ASTROPHYSICS↗

Electronic Structure and Oxidation State Changes in the Mn (4) Ca Cluster of Photosystem II

Oxygen-evolving complex (Mn{sub 4}Ca cluster) of Photosystem II cycles through five intermediate states (S{sub i}-states, i = 0-4) before a molecule of dioxygen is released. During the S-state transitions, electrons are extracted from the OEC, either from Mn or alternatively from a Mn ligand. The oxidation state of Mn is widely accepted as Mn{sub 4}(III{sub 2},IV{sub 2}) and Mn{sub 4}(III,IV{sub 3}) for S{sub 1} and S{sub 2} states, while it is still controversial for the S{sub 0} and S{sub 3} states. We used resonant inelastic X-ray scattering (RIXS) to study the electronic structure of Mn{sub 4}Ca complex in the OEC. The RIXS data yield two-dimensional plots that provide a significant advantage by obtaining both K-edge pre-edge and L-edge-like spectra (metal spin state) simultaneously. We have collected data from PSII samples in the each of the S-states and compared them with data from various inorganic Mn complexes. The spectral changes in the Mn 1s2p{sub 3/2} RIXS spectra between the S-states were compared to those of the oxides of Mn and coordination complexes. The results indicate strong covalency for the electronic configuration in the OEC, and we conclude that the electron is transferred from a strongly delocalized orbital, compared to those in Mn oxides or coordination complexes. The magnitude for the S{sub 0} to S{sub 1}, and S{sub 1} to S{sub 2} transitions is twice as large as that during the S{sub 2} to S{sub 3} transition, indicating that the electron for this transition is extracted from a highly delocalized orbital with little change in charge density at the Mn atoms.

99 GENERAL AND MISCELLANEOUS↗

Skyrmions and composite vortex states in three-component Bose–Einstein condensates with spin–orbit coupling

Stable and metastable vortex states in two-dimensional three-component Bose–Einstein condensates are studied in the presence of spin–orbit coupling. The ground states exhibit two skyrmion structures which respectively correspond to the d-skyrmion in antiferromagnetic or the F-skyrmion in ferromagnetic condensates. The half skyrmion and full skyrmion can be controlled by changing the strength of the spin–orbit coupling. We also find a stable composite vortex state which is associated to mixing of the ferromagnetic and antiferromagnetic manifolds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effects of 90 deg. vertical elbows on two-phase flow parameters

This study investigates two-phase flow from vertical-upward to horizontal and horizontal to vertical-downward direction through 90 deg. vertical elbows. Specifically, effects of 90 deg. vertical elbows on two-phase pressure drop, development of bubble distribution, and one-dimensional transport of bubble velocity are studied. Pressure measurements are obtained along the test section over a wide range of flow conditions. The two-phase pressure drops across the elbows are modeled using the modified Lockhart-Martinelli correlation which accounts for the minor loss effect. It is demonstrated that the modified Lockhart-Martinelli correlation can predict the pressure loss across elbows with different orientations and angles by varying the minor loss coefficient. A database is established by measuring two-phase flow parameters across 90 deg. vertical elbows using a four-sensor conductivity probe. It is found that immediately downstream of the 90 deg. vertical-upward elbow, the bubbles have a bimodal distribution along the horizontal radius of the pipe cross-section causing a dual-peak in the profiles of local void fraction and interfacial area concentration. As the flow develops, the bimodal bubble distribution dissipates and develops to a single-peaked bubble distribution near the top of the pipe. Immediately downstream of the 90 deg. vertical-downward elbow, a bimodal bubble distribution is also observed near the inner curvature of the elbow. As the flow develops, the bimodal bubble distribution migrates to the pipe center and finally develops to a characteristic center-peaked bubble distribution. For the area averaged void-weighted bubble velocity, it varies significantly in the elbow regions due to the changes in local velocity profile and bubble distribution caused by the elbow effects. (authors)

42 ENGINEERING↗

In situ measurement of CuPt alloy ordering using strain anisotropy

The optical and electrical properties of many III-V alloys change with the degree of CuPt atomic ordering, which is very sensitive to growth conditions. The bulk ordered alloy is elongated along the normal to the ordered planes, and is asymmetrically strained when coherent to a cubic substrate. Here, we demonstrate in situ measurement of the anisotropic strain due to ordering using two-dimensional wafer curvature. The measurement is sensitive to bulk anisotropies, and so is complementary to other in situ measurements that are sensitive to surface anisotropies. Using ab initio calculations, we determine a maximum strain anisotropy of 0.27% between [110] and [1{sup ¯}10] when perfectly ordered single-variant GaInP{sub 2} is coherent to a (001) cubic substrate. We relate the in situ measurement of strain anisotropy on various GaInP{sub 2} samples to ex situ measurements of the order parameter to validate the measurement and confirm the capability to predict material properties. The measurement monitors change in ordering during growth, useful for quickly determining the growth condition dependence of ordering or monitoring order-disorder transitions. More generally, this measurement technique could, in principle, be used to monitor phase changes in any epitaxial system for which the strain anisotropy of the two phases differs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Molecular response of poplar to single and combined ozone and drought

High concentration in ground-level ozone (O 3 ) and water deficit affect forest ecosystems service. Earlier we found intercellular CO 2 concentration and isoprene emission were affected by the combination of O 3 and drought, but the molecular mechanisms controlling these phenotypes are still open questions. In this study, we examined the stomatal conductance (g s ) and transcriptome changes in an O 3 -sensitive hybrid poplar exposed to two O 3 levels [charcoal-filtered ambient air (CF) and non-filtered ambient air plus 40 ppb (NF40)] and two water conditions [well-watered (W) and moderate drought (D)]. NF40 reduced the g s more under D than W. We identified the differentially expressed genes (DEGs) from pairwise comparisons and found the poplar's molecular response to drought was counteracted by elevated O 3 . From nine clusters obtained through K-means clustering, 12 core transcription factors were identified. DEGs involved in isoprene biosynthesis and phytohormones signal pathways indicate the molecular response and stomatal closure of poplar under O 3 and/or drought might be through MEP/DOXP and ABA-dependent pathways. In addition, 102 Helitrons capturing DEGs were involved in response to O 3 and/or drought and related with ABA-dependent pathway. This integrated analysis provides multi-dimensional insights to understand the molecular response to the combination of O 3 and drought.

59 BASIC BIOLOGICAL SCIENCES↗