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At least 523 records · Page 29

The Influence of Film Thickness on Annealing-Induced Grain Growth in Pt Films

Pt films with thickness h = 20–100 nm deposited on oxidized с-Si(100) substrate have been subjected to vacuum annealing at 500°C for 1 h, which resulted in recrystallization and growth of grains. Simultaneously with the normal growth of grains, abnormal grain growth has been observed, as a result of which the grains have separated in normal and secondary grains. For h = 20–40 nm, the secondary grains become much larger than the normal ones and the grain lateral size distribution therefore becomes bimodal. It has been shown that the abnormal grain growth rate increases with decreasing h, whereas the normal grain growth rate is independent of h. From the Pt(111) and Pt(222) X-ray diffraction peaks analysis it follows that the mean size D of coherently diffracting domains increases as a result of annealing. In the annealed films, D sublinearly grows with h, whereas in the as-prepared films, D grows linearly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Resolution of a Few Problems in the Application of Quasilinear Theory to Calculating Diffusion Coefficients in Heliophysics

A theory of quasilinear diffusion for obliquely propagating electromagnetic waves was developed in the 1960's and applied in the 1970's to model scattering of relativistic electrons by a prescribed distribution of waves. In the latter work, a transformation of variables, from wavevector space to the temporal frequency and tangent of the wave normal angle, was used so that simple Gaussian functions of frequency and tangent of the wave normal angle could be multiplied together to define the distribution of wave power, although arbitrary distributions of power in these two variables is also permitted. Finally, in 2005, previous work was consolidated and has been widely used in heliophysics studies that require computation of quasilinear diffusion coefficients. Here it is shown that this transformation is inppropriate when the precise wave vector distribution is known. The correct transformation is derived and used to produce diffusion coefficients that can differ by orders of magnitude from those computed using the inappropriate transformation. The differences are largest when the distribution of wave power extends to wave normal angles near the resonance cone. When the ratio of the plasma frequency to the gyrofrequency is large, only low energies (keV) are affected, but as the ratio decreases higher energies (MeV) also show differences. It is also shown that the derivation from the 1960's uses a notation that results in the diffusion coefficients depending on the distribution of wave power with respect to the wave azimuthal angle whereas there should be no such dependence.

79 ASTRONOMY AND ASTROPHYSICS↗

4D Observations of the initiation of abnormal grain growth in commercially pure Ni

Abnormal grain growth (AGG), where a small fraction of grains grow faster than others, is critical to predict because it can significantly impact material properties. However, the mechanism behind AGG remains unclear. In this study, laboratory-based x-ray diffraction contrast tomography (LabDCT) is employed to non-destructively track the 3D microstructural evolution of high-purity nickel during the onset of AGG at 800 °C. The initial microstructure state is used to test hypothesized microstructure predictors of the initiation of AGG. The change in grain size was not related to the initial grain size or normalized integral mean curvature. Additionally, the grain boundary energy distributions of abnormal grains were indistinguishable from those of control groups exhibiting normal grain growth. However, the grains that later became abnormal exhibit large areas of asymmetric tilt boundaries that were previously found to be fast. This 3D microstructure dataset is useful to investigate new hypotheses for the initiation of AGG.

36 MATERIALS SCIENCE↗

Graph-Augmented Normalizing Flows for Anomaly Detection of Multiple Time Series

Anomaly detection is a widely studied task for a broad variety of data types; among them, multiple time series appear frequently in applications, including for example, power grids and traffic networks. Detecting anomalies for multiple time series, however, is a challenging subject, owing to the intricate interdependencies among the constituent series. We hypothesize that anomalies occur in low density regions of a distribution and explore the use of normalizing flows for unsupervised anomaly detection, because of their superior quality in density estimation. Moreover, we propose a novel flow model by imposing a Bayesian network among constituent series. A Bayesian network is a directed acyclic graph (DAG) that models causal relationships; it factorizes the joint probability of the series into the product of easy-to-evaluate conditional probabilities. We call such a graph-augmented normalizing flow approach GANF and propose joint estimation of the DAG with flow parameters. We conduct extensive experiments on real-world datasets and demonstrate the effectiveness of GANF for density estimation, anomaly detection, and identification of time series distribution drift.

Dai, Enyan↗

Adsorption and Photodesorption of CO from Charged Point Defects on TiO 2 (110)

Adsorption and photodesorption of weakly-bound carbon monoxide, CO, from reduced and hydroxylated rutile TiO2(110) (r- and h- TiO2(110)) at sub-monolayer coverages is studied with atomically-resolved scanning tunneling microscopy (STM) along with ensemble-averaged temperature-programmed desorption (TPD) and angle-resolved photon-stimulated desorption (PSD) at low temperatures ( 50 K). STM data weighted by the concentration of each kind of adsorption sites on r-TiO2(110) give an adsorption probability which is the highest for the bridging oxygen vacancies (VO) and very low for the Ti5c sites closest to VO. Occupancy of the remaining Ti5c sites with CO is significant, but smaller than for VO. The probability distribution for the different adsorption sites corresponds to a very small difference in CO adsorption energies: < 0.02 eV. We also find that UV irradiation stimulates both diffusion and desorption of CO at low temperature. CO photodesorbs primarily from the vacancies with a bi-modal angular distribution. In addition to a major, normal to the surface component, there is a broader cosine component indicating scattering from the surface which likely also leads to photo-stimulated diffusion. Hydroxylation of VO’s does not significantly change the CO PSD yield and angular distribution, indicating that not atomic but rather electronic surface defects are involved in the site-specific PSD process. We suggest that photodesorption can be initiated by recombination of photo-generated holes with excess unpaired electrons localized near the surface point-defect (either VO or bridging hydroxyl), leading to the surface atoms rearrangement and ejection of the weakly-bound CO molecules.

Environmental Molecular Sciences Laboratory↗

A Short-Term and High-Resolution System Load Forecasting Approach Using Support Vector Regression with Hybrid Parameters Optimization

This work proposes an approach for distribution system load forecasting, which aims to provide highly accurate short-term load forecasting with high resolution utilizing a support vector regression (SVR) based forecaster and a two-step hybrid parameters optimization method. Specifically, because the load profiles in distribution systems contain abrupt deviations, a data normalization is designed as the pretreatment for the collected historical load data. Then an SVR model is trained by the load data to forecast the future load. For better performance of SVR, a two-step hybrid optimization algorithm is proposed to determine the best parameters. In the first step of the hybrid optimization algorithm, a designed grid traverse algorithm (GTA) is used to narrow the parameters searching area from a global to local space. In the second step, based on the result of the GTA, particle swarm optimization (PSO) is used to determine the best parameters in the local parameter space. After the best parameters are determined, the SVR model is used to forecast the short-term load deviation in the distribution system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The Impact of Correcting for Translational and Rotational Errors Using the HexaPOD in Head and Neck Stereotactic Body Radiation Therapy Patients

The HexaPOD has been developed to correct for errors in six degrees of freedom (6DOF), which enables it with the potential to improve setup accuracy. This is critical in hypofractionated head and neck (H&N) stereotactic body radiation therapy (SBRT) plans, which have highly conformal dose distributions and close proximity of critical normal structures.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

How Many Elements Matter?

Some studies of stars' multielement abundance distributions suggest at least 5–7 significant dimensions, but others show that many elemental abundances can be predicted to high accuracy from [Fe/H] and [Mg/Fe] (or [Fe/H] and age) alone. We show that both propositions can be, and are, simultaneously true. We adopt a machine-learning technique known as normalizing flow to reconstruct the probability distribution of Milky Way disk stars in the space of 15 elemental abundances measured by APOGEE. Conditioning on T eff and $\mathrm{log}\,g$ minimizes the differential systematics. After further conditioning on [Fe/H] and [Mg/Fe], the residual scatter for most abundances is σ [X/H] ≲ 0.02 dex, consistent with APOGEE's reported statistical uncertainties of ~0.01–0.015 dex and intrinsic scatter of 0.01–0.02 dex. Despite the small scatter, residual abundances display clear correlations between elements, which we show are too large to be explained by measurement uncertainties or by the finite sampling noise. We must condition on at least seven elements to reduce the correlations to a level consistent with the observational uncertainties. Our results demonstrate that cross-element correlations are a much more sensitive probe of a hidden structure than dispersion, and they can be measured precisely in a large sample even if the star-by-star measurement noise is comparable to the intrinsic scatter. We conclude that many elements have an independent story to tell, even for the mundane disk stars and elements produced by the core-collapse and Type Ia supernovae. The only way to learn these lessons is to measure the abundances directly, and not merely infer them.

79 ASTRONOMY AND ASTROPHYSICS↗

Single molecule characterization of anomalous transport in a thin, anisotropic film

Here, the diffusion of small, charged molecules incorporated in an anisotropic polyelectrolyte multilayers (PEMs) was tracked in three dimensions by combining single-molecule fluorescence localization (to characterize lateral diffusion) with Förster resonance energy transfer (FRET) between diffusing molecules and the supporting surface (to measure diffusion in the surface-normal direction). Analysis of the surface-normal diffusion required model-based statistical analysis to account for the inherently noisy FRET signal. Combining these distinct single-molecule methods, which are inherently sensitive to different length scales, permitted simultaneous characterization of severely anisotropic diffusion, which was more than three orders of magnitude slower in the surface-normal direction. We hypothesize that the anomalously slow surface-normal diffusion was related to the periodic distribution of charge in the PEM, which created electrostatic barriers. The motion was strongly subdiffusive, with anomalous temporal scaling exponents in lateral and normal directions, suggesting a connection to the transient, random fractal conformation of polymer chains in the film’s matrix.

36 MATERIALS SCIENCE↗

Microstructural Effects on SCC Initiation PWR Primary Water Cold-Worked Alloy 600

SCC initiation behavior of one mill annealed alloy 600 plate heat was investigated in simulated PWR primary water under constant load at yield stress with in-situ direct current potential drop (DCPD) monitoring for crack initiation. Twelve specimens were tested at similar cold work levels among which three showed much shorter SCC initiation times (<400 hrs) than the others (>1200 hrs). Post-test examinations revealed that these three specimens all feature an inhomogeneous microstructure where the primary crack always nucleated along the boundary of large elongated grains protruding normally into the gauge. In contrast, such microstructure was either not observed or did not extend deep enough into the gauge in the other specimens exhibiting ~3-6X longer initiation times. In order to better understand the role of this microstructural inhomogeneity in SCC initiation, high-resolution microscopy was performed to compare carbide morphology and strain distribution between the long grains and normal grains, and their potential effects on SCC initiation are discussed in this paper.

Alloy 600↗

Comprehensive study of the X-ray flares from gamma-ray bursts observed by Swift

X-ray flares are generally supposed to be produced by later activities of the central engine, and may share a similar physical origin with the prompt emission of gamma-ray bursts (GRBs). In this paper, we have analyzed all significant X-ray flares from the GRBs observed by Swift from 2005 April to 2015 March. The catalog contains 468 bright X-ray flares, including 200 flares with redshifts. We obtain the fitting results of X-ray flares, such as start time, peak time, duration, peak flux, fluence, peak luminosity, and mean luminosity. The peak luminosity decreases with peak time, following a power-law behavior L{sub p}∝T{sub peak,z}{sup −1.27}. The flare duration increases with peak time. The 0.3–10 keV isotropic energy of the distribution of X-ray flares is a log-normal peaked at 10{sup 51.2} erg. We also study the frequency distributions of flare parameters, including energies, durations, peak fluxes, rise times, decay times, and waiting times. Power-law distributions of energies, durations, peak fluxes, and waiting times are found in GRB X-ray flares and solar flares. These distributions could be well explained by a fractal-diffusive, self-organized criticality model. Some theoretical models based on magnetic reconnection have been proposed to explain X-ray flares. Our result shows that the relativistic jets of GRBs may be dominated by Poynting flux.

79 ASTRONOMY AND ASTROPHYSICS↗

An analytical elastic plastic contact model with strain hardening and frictional effects for normal and oblique impacts

Impact between metallic surfaces is a phenomenon that is ubiquitous in the design and analysis of mechanical systems. We found that to model this phenomenon, a new formulation for frictional elastic–plastic contact between two surfaces is developed. The formulation is developed to consider both frictional, oblique contact (of which normal, frictionless contact is a limiting case) and strain hardening effects. The constitutive model for normal contact is developed as two contiguous loading domains: the elastic regime and a transitionary region in which the plastic response of the materials develops and the elastic response abates. For unloading, the constitutive model is based on an elastic process. Moreover, the normal contact model is assumed to only couple one-way with the frictional/tangential contact model, which results in the normal contact model being independent of the frictional effects. Frictional, tangential contact is modeled using a microslip model that is developed to consider the pressure distribution that develops from the elastic–plastic normal contact. This model is validated through comparisons with experimental results reported in the literature, and is demonstrated to be significantly more accurate than 10 other normal contact models and three other tangential contact models found in the literature.

36 MATERIALS SCIENCE↗

Rates and properties of Type Ia supernovae in galaxy clusters within the dark energy survey

We identify 66 photometrically classified Type Ia supernovae (SNe Ia) from the Dark Energy Survey (DES) that have occurred within red-sequence selected galaxy clusters. We compare light-curve and host galaxy properties of the cluster SNe to 1024 DES SNe Ia located in field galaxies, the largest comparison of two such samples at high redshift (z > 0.1). We find that cluster SN light curves decline faster than those in the field (97.7 per cent confidence). However, when limiting these samples to host galaxies of similar colour and mass, there is no significant difference in the SN light-curve properties. Motivated by previous detections of a higher-normalized SN Ia delay-time distribution in galaxy clusters, we measure the intrinsic rate of SNe Ia in cluster and field environments. We find the average ratio of the SN Ia rate per galaxy between high-mass (⁠|$10\le \log \mathrm{(\mathit{ M}_{*}/{\rm \mathit{ M}}_{\odot })} \le 11.25$|⁠) cluster and field galaxies to be 0.594 ± 0.068. This difference is mass-dependent, with the ratio declining with increasing mass, which suggests that the stellar populations in cluster hosts are older than those in field hosts. We show that the mass-normalized rate (or SNe per unit mass) in massive–passive galaxies is consistent between cluster and field environments. Additionally, both of these rates are consistent with rates previously measured in clusters at similar redshifts. We conclude that in massive–passive galaxies, which are the dominant hosts of cluster SNe, the cluster delay-time distribution is comparable to the field.

79 ASTRONOMY AND ASTROPHYSICS↗

Further Investigation of Employing Binomial Small-Sample Estimator in M-LROM

Reduced Order Modeling (ROM) is essential to enable the identification of the so-called active parameter subspace for high-fidelity models that are employed in computationally intensive analyses such as uncertainty characterization and data assimilation. Given the complexity of models for real-world application, brute force methods to identify the active subspace may not be computationally efficient to realize the value of reduction, since in realistic problems, the full scale model must be executed few hundred times, which may be computationally taxing. Earlier work has introduced a new approach, which represents a further development of our previous work on ROM, referred to as multi-level ROM (M-LROM). In M-LROM, approximate models are employed to identify the active subspace instead of the full scale model. In this summary, we present our recent results on M-LROM, specifically in regard to the construction of reliable error metrics that can bound the errors resulting from the reduction. The idea is to employ a lower fidelity model, i.e., an approximation of the full scale or high fidelity model, to build the active subspace, and via the proposed error bound, the quality of the active subspace can be determined by calculating an upper bound on the errors resulting from the reduction. For this approach to be practical, the error bound must be realistic, implying that it should be close to the actual errors expected, and not much higher. Therefore, an important goal of this summary is to compare different error bounds in terms of the relation between their estimated bounds to the actual errors. In particular, we compare the proposed error bound which numerically construct an estimator using binomial distribution to the widely used small-sample norm estimators. Unlike most probabilistic error estimation methods, the proposed bound employs a binomial distribution to construct the estimator whereas in other conventional methods, the distribution employed is typically the standard Gaussian, normalized over a unit hypersphere as initially proposed by the seminal paper of J. Dixon on random matrix theory. Previous publications provided evidence that the binomial distribution calculates more realistic bounds as compared to the Gaussian distribution, which tends to be conservative, implying that the bound is much bigger than the actual errors, which diminishes the value of the reduction, as now must increase the size of the active subspace to reach the desired upper bound on the reduction errors. This work has provided a rigorous approach by which error bounds on the reduction errors can be established without having to execute the high fidelity model during the construction of the active subspace. The high fidelity model is only need to test the error bound using small number of executions. This methodology paves the way for a more efficient application of ROM to complex engineering models, where standard ROM techniques may be too taxing to optimally realize their value in practical situations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Comparative Prospective Study of Load Distribution Projection Among Patients with Vertebral Fractures Treated with Percutaneous Vertebroplasty and a Control Group of Healthy Volunteers

Purpose: Through a prospective comparison of patients with vertebral fractures and normal population, we illustrate effect of percutaneous vertebroplasty (PV) upon projection of load distribution changes. Methods: Vertebroplasty group (36 symptomatic patients with osteoporotic vertebral fractures) was evaluated on an electronic baropodometer registering projection of weight bearing areas on feet. Load distribution between right and left foot (including rear-front of the same foot) during standing and walking was recorded and compared before (group V1) and the day after (group V2) PV. Control group (30 healthy asymptomatic volunteers-no surgery record) were evaluated on the same baropodometer. Results: Mean value of load distribution difference between rear-front of the same foot was 9.45 ± 6.79 % (54.72–45.28 %) upon standing and 14.76 ± 7.09 % (57.38–42.62 %) upon walking in the control group. Respective load distribution values before PV were 16.52 ± 11.23 and 30.91 ± 19.26 % and after PV were 10.08 ± 6.26 and 14.25 ± 7.68 % upon standing and walking respectively. Mean value of load distribution variation between the two feet was 6.36 and 14.6 % before and 4.62 and 10.4 % after PV upon standing and walking respectively. Comparison of load distribution variation (group V1–V2, group V1-control group) is statistically significant. Comparison of load distribution variation (group V2-control group) is not statistically significant. Comparison of load distribution variation among the two feet is statistically significant during walking but not statistically significant during standing. Conclusions: There is a statistically significant difference when comparing load distribution variation prior vertebroplasty and that of normal population. After vertebroplasty, this difference normalizes in a statistically significant way. PV is efficient on equilibrium-load distribution improvement as well.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Effects of the guide field on electron distribution functions in the diffusion region of asymmetric reconnection

Crescent electron distribution functions in the electron diffusion region in asymmetric reconnection with a guide field (strength less than 50% of the upstream magnetic field) are investigated by theory and fully kinetic simulations. Electron motion in the electron diffusion region is a combination of meandering across the current sheet and gyration around the guide field. Combining the two canonical momentum conservation laws in a one-dimensional model with the energy conservation law, we derive the shape of crescent electron distribution functions in both velocity planes: perpendicular to the magnetic field and coplanner with the magnetic field. There are two major effects of the guide field on crescent distribution functions: (1) widening the opening angle of the crescent in a reduced distribution function and (2) the linear cut-off of a distribution function nonparallel to the magnetic field. We also discuss a translational mapping (perpendicular to the linear cut-off) of distribution functions between the X-line and another position. In addition, considering the gyration due to the normal magnetic field, we predict the shape of distribution functions in general positions in the electron diffusion region. Finally, the predictions will be useful to identify features of magnetic reconnection in a guide field by satellite observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SU-E-T-227: Least Restrictive Assignment of Dose-Distance Differences (LRAD) in IMRT On a Conventional Linac

Purpose: To develop a method to compare dose distributions based on the least restrictive of dose and distance differences, and to evaluate the method for IMRT QA on a conventional linac. Methods: Lrad is defined as the least restrictive of the dose difference at each point in the distributions being compared (%D), with dose normalized by the same factor, and the distance to agreement (DTA in millimeters), limited to directions parallel and perpendicular to MLC motion. If %D<%Do, Lrad=%D. Otherwise, if L=%D/DTA>Lo, Lrad=DTA, else Lrad=%D. Lrad fails at any point when Lrad>DTAo or Lrad>%Do. We compared LRAD (Lo=1%/mm, DTAo=2mm, %Do=2%) with Gamma index tool (2%/2mm pass/fail criteria) for IMRT QA with 2D detector arrays. Dose distribution measured for 6 MV and 18 MV x-rays for various field sizes and shapes, including 6 IMRT plans, were compared to measurements made with output, beam flatness, beam symmetry, MLC leaf positions, and detector array translation and rotation adjusted at up to twice published acceptable tolerance. Results: LRAD was more effective than Gamma in detecting a 2% drift in output (dose per monitor unit), 1–2 mm drifts in MLC leaf position for 1–8 leaves in the field, and beam flatness and symmetry drifts that resulted in a 3% change in the off-axis ratio. LRAD and Gamma were equally effective for larger output changes and for detector translations and rotations. For all ∼400 measurements performed, LRAD detected 78% of the error and Gamma detected 52% of the errors. By using a color scale to display dose differences and grey scale for spatial errors, the reason for failure was self evident, whether it be beam or mechanical changes. Conclusion: LRAD proved to be advantageous in its ability to detect and distinguish between realistic changes in beam and mechanical settings in comparison to the Gamma Index.

60 APPLIED LIFE SCIENCES↗

Modeling energy balance while correcting for measurement error via free knot splines

Measurements of energy balance components (energy intake, energy expenditure, changes in energy stores) are often plagued with measurement error. Doubly-labeled water can measure energy intake (EI) with negligible error, but is expensive and cumbersome. An alternative approach that is gaining popularity is to use the energy balance principle, by measuring energy expenditure (EE) and change in energy stores (ES) and then back-calculate EI. Gold standard methods for EE and ES exist and are known to give accurate measurements, albeit at a high cost. We propose a joint statistical model to assess the measurement error in cheaper, non-intrusive measures of EE and ES. We let the unknown true EE and ES for individuals be latent variables, and model them using a bivariate distribution. We try both a bivariate Normal as well as a Dirichlet Process Mixture Model, and compare the results via simulation. Our approach, is the first to account for the dependencies that exist in individuals’ daily EE and ES. We employ semiparametric regression with free knot splines for measurements with error, and linear components for error free covariates. We adopt a Bayesian approach to estimation and inference and use Reversible Jump Markov Chain Monte Carlo to generate draws from the posterior distribution. Based on the semiparameteric regression, we develop a calibration equation that adjusts a cheaper, less reliable estimate, closer to the true value. Along with this calibrated value, our method also gives credible intervals to assess uncertainty. A simulation study shows our calibration helps produce a more accurate estimate. Furthermore, our approach compares favorably in terms of prediction to other commonly used models.

60 APPLIED LIFE SCIENCES↗