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At least 19 records

RECONSTRUCTING REDSHIFT DISTRIBUTIONS WITH CROSS-CORRELATIONS: TESTS AND AN OPTIMIZED RECIPE

Many of the cosmological tests to be performed by planned dark energy experiments will require extremely well-characterized photometric redshift measurements. Current estimates for cosmic shear are that the true mean redshift of the objects in each photo-z bin must be known to better than 0.002(1 + z), and the width of the bin must be known to {approx}0.003(1 + z) if errors in cosmological measurements are not to be degraded significantly. A conventional approach is to calibrate these photometric redshifts with large sets of spectroscopic redshifts. However, at the depths probed by Stage III surveys (such as DES), let alone Stage IV (LSST, JDEM, and Euclid), existing large redshift samples have all been highly (25%-60%) incomplete, with a strong dependence of success rate on both redshift and galaxy properties. A powerful alternative approach is to exploit the clustering of galaxies to perform photometric redshift calibrations. Measuring the two-point angular cross-correlation between objects in some photometric redshift bin and objects with known spectroscopic redshift, as a function of the spectroscopic z, allows the true redshift distribution of a photometric sample to be reconstructed in detail, even if it includes objects too faint for spectroscopy or if spectroscopic samples are highly incomplete. We test this technique using mock DEEP2 Galaxy Redshift survey light cones constructed from the Millennium Simulation semi-analytic galaxy catalogs. From this realistic test, which incorporates the effects of galaxy bias evolution and cosmic variance, we find that the true redshift distribution of a photometric sample can, in fact, be determined accurately with cross-correlation techniques. We also compare the empirical error in the reconstruction of redshift distributions to previous analytic predictions, finding that additional components must be included in error budgets to match the simulation results. This extra error contribution is small for surveys that sample large areas of sky (>{approx}10{sup 0}-100{sup 0}), but dominant for {approx}1 deg{sup 2} fields. We conclude by presenting a step-by-step, optimized recipe for reconstructing redshift distributions from cross-correlation information using standard correlation measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

Building and testing correlations for the estimation of one‐electron reduction potentials of a diverse set of organic molecules

We describe and evaluate a method for computationally predicting reduction potentials of a diverse group of organic molecules by linearly correlating calculated lowest unoccupied molecular orbital energies with ground state reduction potentials measured in acetonitrile. The approach is shown to provide a unique combination of extreme computational simplicity and excellent accuracy across a diverse range of organic structures and a wide window of reduction potentials. A disparate set of molecules (74 compounds belonging to six distinct structural families, comprised of molecules containing C, H, N, O, F, Cl, and Br, with functional groups including esters, ketones, halides, nitriles, quinones, alkenes, arenes, heteroarenes, and pyridinium and higher benzologs, all containing conjugated pi systems, spanning a 3.5‐V range of reduction potentials) was used to build the correlations. This methodology was found to be computationally inexpensive compared with other approaches and to permit the useful prediction of reduction potentials of additional molecules of diverse structural types not included in the families used to determine the correlation parameters. The effects of varying the basis set used in the B3LYP electronic structure calculations and including solvent (compared with calculations in gas phase) were also examined. It was found that the inclusion of a continuum solvent model in the calculations was required for accurate results, particularly when including cationic species in the correlations (although when only neutral molecules were examined, reasonable results could even be obtained in vacuo ). Several of the best correlations were used to predict the reduction potentials of seven much larger and structurally diverse chromophores that were not included in the correlation data set. Strong correlations ( r 2 values > 0.99) with very good predictive abilities (root mean square deviation < 60 mV) were found. This extremely simple and computationally efficient entirely closed‐shell methodology is proven robust and useful for the design of new molecules capable of participating in redox processes, including electron transfer reactions. Copyright © 2015 John Wiley & Sons, Ltd.

Méndez‐Hernández, Dalvin D.↗

Squeeze Film Damper Experimental and Numerical Correlation: Test Setup Description and Parameter Identification of Dry System

The process of characterizing a damper involves both experimental techniques and model simulation. Experiments characterize dynamic behavior of a system through empirical modal analysis using impact and shaker testing. The layout of the test setup is crucial for a low-mass, nonlinear system. Physical arrangement, orientation of the system, and instrumentation affect the results that are discussed in this paper. These results can be used to validate a numerical simulation of the same system. With a validated model, important physical input parameters and modeling techniques can be determined and implemented in future designs. In other words, this modeling can be used with confidence to design alternative dampers that may be difficult, costly, and time-consuming to characterize experimentally.

Cook, Jason↗

The Association of Age-Related and Off-Target Retention with Longitudinal Quantification of [ 18 F]MK6240 Tau PET in Target Regions

6-(fluoro- 18 F)-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine ([ 18 F]MK6240) tau PET tracer quantifies the brain tau neurofibrillary tangle load in Alzheimer disease. The aims of our study were to test the stability of common reference region estimates in the cerebellum over time and across diagnoses and evaluate the effects of age-related and off-target retention on the longitudinal quantification of [ 18 F]MK6240 in target regions. Methods: We assessed reference, target, age-related, and off-target regions in 125 individuals across the aging and Alzheimer disease spectrum with longitudinal [ 18 F]MK6240 SUVs and SUV ratios (SUVRs) (mean ± SD, 2.25 ± 0.40 y of follow-up). We obtained SUVR from meninges, exhibiting frequent off-target retention with [ 18 F]MK6240. Additionally, we compared tracer uptake between 37 cognitively unimpaired young (CUY) (mean age, 23.41 ± 3.33 y) and 27 cognitively unimpaired older (CU) adults (amyloid-β–negative and tau-negative, 58.50 ± 9.01 y) to identify possible nonvisually apparent, age-related signal. Two-tailed t testing and Pearson correlation testing were used to determine the difference between groups and associations between changes in region uptake, respectively. Results: Inferior cerebellar gray matter SUV did not differ on the basis of diagnosis and amyloid-β status, cross-sectionally and over time. [ 18 F]MK6240 uptake significantly differed between CUY and CU adults in the putamen or pallidum (affecting ~75% of the region) and in the Braak II region (affecting ~35%). Changes in meningeal and putamen or pallidum SUVRs did not significantly differ from zero, nor did they vary across diagnostic groups. We did not observe significant correlations between longitudinal changes in age-related or meningeal off-target retention and changes in target regions, whereas changes in all target regions were strongly correlated. Conclusion: Inferior cerebellar gray matter was similar across diagnostic groups cross-sectionally and stable over time and thus was deemed a suitable reference region for quantification. Despite not being visually perceptible, [ 18 F]MK6240 has age-related retention in subcortical regions, at a much lower magnitude but topographically colocalized with significant off-target signal of the first-generation tau tracers. The lack of correlation between changes in age-related or meningeal and target retention suggests little influence of possible off-target signals on longitudinal tracer quantification. Nevertheless, the age-related retention in the Braak II region needs to be further investigated. Future postmortem studies should elucidate the source of the newly reported age-related [ 18 F]MK6240 signal, and in vivo studies should further explore its impact on tracer quantification.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

SU-F-R-50: Radiation-Induced Changes in CT Number Histogram During Chemoradiation Therapy for Pancreatic Cancer

Purpose: In an effort of early assessment of treatment response, we investigate radiation induced changes in CT number histogram of GTV during the delivery of chemoradiation therapy (CRT) for pancreatic cancer. Methods: Diagnostic-quality CT data acquired daily during routine CT-guided CRT using a CT-on-rails for 20 pancreatic head cancer patients were analyzed. All patients were treated with a radiation dose of 50.4 in 28 fractions. On each daily CT set, the contours of the pancreatic head and the spinal cord were delineated. The Hounsfiled Units (HU) histogram in these contourswere extracted and processed using MATLAB. Eight parameters of the histogram including the mean HU over all the voxels, peak position, volume, standard deviation (SD), skewness, kurtosis, energy, and entropy were calculated for each fraction. The significances were inspected using paired two-tailed t-test and the correlations were analyzed using Spearman rank correlation tests. Results: In general, HU histogram in pancreatic head (but not in spinal cord) changed during the CRT delivery. Changes from the first to the last fraction in mean HU in pancreatic head ranged from −13.4 to 3.7 HU with an average of −4.4 HU, which was significant (P<0.001). Among other quantities, the volume decreased, the skewness increased (less skewed), and the kurtosis decreased (less sharp) during the CRT delivery. The changes of mean HU, volume, skewness, and kurtosis became significant after two weeks of treatment. Patient pathological response status is associated with the changes of SD (ΔSD), i.e., ΔSD= 1.85 (average of 7 patients) for good reponse, −0.08 (average of 6 patients) for moderate and poor response. Conclusion: Significant changes in HU histogram and the histogram-based metrics (e.g., meam HU, skewness, and kurtosis) in tumor were observed during the course of chemoradiation therapy for pancreas cancer. These changes may be potentially used for early assessment of treatment response.

60 APPLIED LIFE SCIENCES↗

SU-G-BRC-01: A Data-Driven Pre-Optimization Method for Prediction of Achievability of Clinical Objectives in IMRT

Purpose: We propose a novel data-driven method to predict the achievability of clinical objectives upfront before invoking the IMRT optimization. Methods: A new metric called “Geometric Complexity (GC)” is used to estimate the achievability of clinical objectives. Here, GC is the measure of the number of “unmodulated” beamlets or rays that intersect the Region-of-interest (ROI) and the target volume. We first compute the geometric complexity ratio (GCratio) between the GC of a ROI (say, parotid) in a reference plan and the GC of the same ROI in a given plan. The GCratio of a ROI indicates the relative geometric complexity of the ROI as compared to the same ROI in the reference plan. Hence GCratio can be used to predict if a defined clinical objective associated with the ROI can be met by the optimizer for a given case. Basically a higher GCratio indicates a lesser likelihood for the optimizer to achieve the clinical objective defined for a given ROI. Similarly, a lower GCratio indicates a higher likelihood for the optimizer to achieve the clinical objective defined for the given ROI. We have evaluated the proposed method on four Head and Neck cases using Pinnacle3 (version 9.10.0) Treatment Planning System (TPS). Results: Out of the total of 28 clinical objectives from four head and neck cases included in the study, 25 were in agreement with the prediction, which implies an agreement of about 85% between predicted and obtained results. The Pearson correlation test shows a positive correlation between predicted and obtained results (Correlation = 0.82, r2 = 0.64, p < 0.005). Conclusion: The study demonstrates the feasibility of the proposed method in head and neck cases for predicting the achievability of clinical objectives with reasonable accuracy.

60 APPLIED LIFE SCIENCES↗

Initial development of a method for correlating indentation test results to damage accumulation in high temperature structural materials

This report describes an experimental approach based on microindentation creep or relaxation tests for assessing the remaining creep life of a sample material. The objective for this experimental program is to complement the development of passively loaded in situ surveillance specimens. These surveillance specimens could be placed in future advanced reactors to assess the degradation of structural properties, primary creep and creep-fatigue life, when the material is exposed to actual reactor operating conditions. The specimens and the corresponding indentation test protocol could form the basis of a structural health monitoring program designed to ensure the safe continued operation of the component given the relatively unknown effect of the reactor coolant chemistry, radiation exposure, and other environmental effects on the material properties of the constituent structural materials.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Controlled Pyroshock Test Transients Can Be Used To Better Match Operational Shock Transients and Reduce Artificial Pyroshock Test Failures [Slides]

Shock analysis is typically done via SRS (shock response spectrum). Oftentimes shock analysis is not performed because most loads specifications only supply SRS requirements with no representative shock transients that can be used for analysis. SRS analysis is too conservative. There is no structural dynamics involved as all modes are assumed to have peak responses simultaneously and in-phase with each other. It is possible that all other loads and combination of loads show the design to be good, whereas SRS analysis (1000 g’s are involved) results may require redesign. Multiple shock transients can satisfy a SRS, yet most loads documents don’t provide a representative shock transient that could be used for shock analysis. Shock testing is less common than harmonic and random vibration testing. Engineers typically go into shock tests with very little knowledge of what to expect. A pass/fail type of approach with very little engineering done to prepare for the test or to control the type of shock transient is used. Most engineers will not model the shock test fixture due to lack of knowledge about the details of the test setup. Shock analysis and testing is often an open loop type situation with no test setup modeling, no test correlation, and no control over the test shock transient. In this work, if we can create applied test force transient that comes close to matching calculated force transient then a more reasonable acceleration transient will be created at the test reference accelerometer that better matches operational shocks.

42 ENGINEERING↗

Correlations of trace elements in breast human tissues: Evaluation of spatial distribution using {mu}-XRF

The aim of this work is to investigate microscopic correlations between trace elements in breast human tissues. A synchrotron X-ray fluorescence microprobe system ({mu}-XRF) was used to obtain two-dimensional distribution of trace element Ca, Fe, Cu and Zn in normal (6 samples) and malignant (14 samples) breast tissues. The experiment was performed in X-ray Fluorescence beam line at Laboratorio Nacional de Luz Sincrotron (LNLS), Campinas, Brazil. The white microbeam was generated with a fine conical capillary with a 20 {mu}m output diameter. The samples were supported on a XYZ table. An optical microscope with motorized zoom was used for sample positioning and choice the area to be scanned. Automatic two-dimensional scans were programmed and performed with steps of 30 {mu}m in each direction (x, y) on the selected area. The fluorescence signals were recorded using a Si(Li) detector, positioned at 90 degrees with respect to the incident beam, with a collection time of 10 s per point. The elemental maps obtained from each sample were overlap to observe correlation between trace elements. Qualitative results showed that the pairs of elements Ca-Zn and Fe-Cu could to be correlated in malignant breast tissues. Quantitative results, achieved by Spearman correlation tests, indicate that there is a spatial correlation between these pairs of elements (p < 0.001) suggesting the importance of these elements in metabolic processes associated with the development of the tumor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring Sustainability in Scientific Software through Code Quality & Test Coverage Metrics

Context: Scientific open-source software (SciOSS) plays a foundational role in research and engineering, yet its long-term sustainability has often been overlooked and remains a significant concern. Objective: This study investigates the long-term sustainability of SciOSS through code and test quality metrics. Method: We analyze CASS Software Portfolio projects, classifying them by sustainability and comparing their code structure, test coverage, and links between code quality and testing across the dataset. Results: Sustainable projects show higher, more consistent test coverage and clearer code-test correlations, while unsustainable ones show weaker patterns. Overall, test coverage is low in scientific software, and high complexity and coupling reduce testability. Conclusion: In this study, we present a practical, data-driven approach for assessing sustainability in scientific software, offering a foundation for evaluating long-term software health and supporting future efforts in quality assurance and sustainability monitoring.

Md mushfiqur rahman, Sheikh [University of Tenness↗

Performance Analysis of Occurrences: January 1, 2011-December 31, 2011

This report documents the analysis of the occurrences during the period January 1, 2011 through December 31, 2011. The report compares LLNL occurrences by reporting criteria and significance category to see if LLNL is reporting occurrences along similar percentages as other DOE sites. The three-year trends are analyzed. It does not include the analysis of the causes or the lessons learned from the occurrences, as they are analyzed separately. The number and types of occurrences that LLNL reports to DOE varies over time. This variation can be attributed to normally occurring changes in frequency; DOE's or LLNL's heightened interest in a particular subject area; changes in LLNL processes; or emerging problems. Since all of the DOE sites use the same reporting criteria, it is helpful to understand if LLNL is consistent with or diverging from reporting at other sites. This section compares the normalized number of occurrences reported by LLNL and other DOE sites. In order to compare LLNL occurrence reports to occurrence reports from other DOE sites, we normalized (or standardized) the data from the sites. DOE sites vary widely in their budgets, populations, and scope of work and these variations may affect reporting frequency. In addition, reports are required for a wide range of occurrence types, some of which may not be applicable to all DOE sites. For example, one occurrence reporting group is Group 3, Nuclear Safety Basis, and not all sites have nuclear operations. Because limited information is available for all sites, the sites were normalized based on best available information. Site effort hours were extracted from the DOE Computerized Accident Incident Reporting System (CAIRS) and used to normalize (or standardize) the number of occurrences by site. Effort hours are those hours that employees normally work and do not include vacation, holiday hours etc. Sites are responsible for calculating their effort hours and ensuring entry into CAIRS. Out of the 30 DOE sites that reported occurrences into ORPS during January 2011 through December 2011, 28 had effort hours available in CAIRS. Two sites had not submitted effort hours data to CAIRS as of the time data was pulled for this report. In those two cases, third quarter data was used as an estimate of fourth quarter data. The use of estimated data may introduce minor errors in the average, median, and Pearson calculations. Using the effort hours and the frequency of occurrences by site, a rate of occurrence frequency per 100 FTE workers was calculated. This rate is similar to the injury/illness frequency rate: the number of injury/illness cases per 100 FTE workers. To validate that this rate was appropriate to use, we compared the effort hours and the frequency of occurrences by site to determine if a relationship exists between the two, e.g. the more effort hours a site has, the more occurrences they tend to have. This hypothesis was tested using the Pearson Correlation Coefficient Test. The correlation coefficient measures the strength of the linear relationship between effort hours and occurrence frequency. The Pearson Correlation Coefficient Test will determine if the true correlation coefficient is equal to zero (no relationship exists), or if the correlation coefficient is not equal to zero (a relationship exists). Values approaching 1.00 show a more positive correlation. Simple linear regression was also used to display a trend line and to test if a one-way relationship exists between effort hours predicting the number of occurrences a site will have. Using the Pearson Correlation test, for the NNSA sites, effort hours and the number of occurrences are significantly and positively correlated with a correlation coefficient of 0.90, as was also seen in the previous report (correlation coefficient of 0.67). All DOE sites are positively correlated with a coefficient of 0.85. As the effort hours increase, so does the number of occurrences and vice versa. Based on the results of the simple linear regression, effort hours were found to predict the number of occurrences.

99 GENERAL AND MISCELLANEOUS↗

Laser-Hardened and Ultrasonically Peened Surface Layers on Tool Steel AISI D2: Correlation of the Bearing Curves’ Parameters, Hardness and Wear

This paper is focused on the effects of the separately applied laser heat treatment (LHT) and ultrasonic impact treatment (UIT) and the combined LHT + UIT process on the wear and friction behaviors of the hardened surface layers of the tool steel AISI D2. In comparison with the initial state, wear losses of the treated specimens after long-term wear tests were decreased by 68, 41, and 77% at the LHT, UIT, and combined LHT + UIT processes, respectively. The Abbott–Firestone bearing curves were used to analyze the material ratio and functional characterization (bearing capacity and oil capacitance) of the studied surface specimens. The wear losses registered after short (15 min) tests correlate well with the changes in experimental surface roughness Ra, and the predictive Rpk, and bearing capacity B{sub C} parameters, respectively, evaluated using the Abbott–Firestone curves and Kragelsky–Kombalov formula. The wear losses after the long-term (45 min) tests are in good correlation with the reciprocal surface microhardness HV and with the W{sub L} and W{sub P} wear parameters, respectively, estimated using Archard–Rabinowicz formula and complex roughness-and-strength approach. The observed HV increase is supported by nanotwins (LHT), by dense dislocation nets (UIT), and by dislocation cells/nanograins fixed with fine carbides (LHT + UIT) formed in the surface layers of the steel.

36 MATERIALS SCIENCE↗

Normal Tissue Complication Probability Analysis of Acute Gastrointestinal Toxicity in Cervical Cancer Patients Undergoing Intensity Modulated Radiation Therapy and Concurrent Cisplatin

Purpose: To test the hypothesis that increased bowel radiation dose is associated with acute gastrointestinal (GI) toxicity in cervical cancer patients undergoing concurrent chemotherapy and intensity-modulated radiation therapy (IMRT), using a previously derived normal tissue complication probability (NTCP) model. Methods: Fifty patients with Stage I-III cervical cancer undergoing IMRT and concurrent weekly cisplatin were analyzed. Acute GI toxicity was graded using the Radiation Therapy Oncology Group scale, excluding upper GI events. A logistic model was used to test correlations between acute GI toxicity and bowel dosimetric parameters. The primary objective was to test the association between Grade {>=}2 GI toxicity and the volume of bowel receiving {>=}45 Gy (V{sub 45}) using the logistic model. Results: Twenty-three patients (46%) had Grade {>=}2 GI toxicity. The mean (SD) V{sub 45} was 143 mL (99). The mean V{sub 45} values for patients with and without Grade {>=}2 GI toxicity were 176 vs. 115 mL, respectively. Twenty patients (40%) had V{sub 45} >150 mL. The proportion of patients with Grade {>=}2 GI toxicity with and without V{sub 45} >150 mL was 65% vs. 33% (p = 0.03). Logistic model parameter estimates V50 and {gamma} were 161 mL (95% confidence interval [CI] 60-399) and 0.31 (95% CI 0.04-0.63), respectively. On multivariable logistic regression, increased V{sub 45} was associated with an increased odds of Grade {>=}2 GI toxicity (odds ratio 2.19 per 100 mL, 95% CI 1.04-4.63, p = 0.04). Conclusions: Our results support the hypothesis that increasing bowel V{sub 45} is correlated with increased GI toxicity in cervical cancer patients undergoing IMRT and concurrent cisplatin. Reducing bowel V{sub 45} could reduce the risk of Grade {>=}2 GI toxicity by approximately 50% per 100 mL of bowel spared.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Calculation of the static and dynamical correlation energy of pseudo-one-dimensional beryllium systems via a many-body expansion

Due to the importance of both static and dynamical correlation in the bond formation, low-dimensional beryllium systems constitute interesting case studies to test correlation methods. Aiming to describe the whole dissociation curve of extended Be systems we chose to apply the method of increments (MoI) in its multireference (MR) formalism. To gain insight into the main characteristics of the wave function, we started by focusing on the description of small Be chains using standard quantum chemical methods. In a next step we applied the MoI to larger beryllium systems, starting from the Be{sub 6} ring. The complete active space formalism was employed and the results were used as reference for local MR calculations of the whole dissociation curve. Although this is a well-established approach for systems with limited multireference character, its application regarding the description of whole dissociation curves requires further testing. Subsequent to the discussion of the role of the basis set, the method was finally applied to larger rings and extrapolated to an infinite chain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantitative Assessment of Workload and Stressors in Clinical Radiation Oncology

Purpose: Workload level and sources of stressors have been implicated as sources of error in multiple settings. We assessed workload levels and sources of stressors among radiation oncology professionals. Furthermore, we explored the potential association between workload and the frequency of reported radiotherapy incidents by the World Health Organization (WHO). Methods and Materials: Data collection was aimed at various tasks performed by 21 study participants from different radiation oncology professional subgroups (simulation therapists, radiation therapists, physicists, dosimetrists, and physicians). Workload was assessed using National Aeronautics and Space Administration Task-Load Index (NASA TLX). Sources of stressors were quantified using observational methods and segregated using a standard taxonomy. Comparisons between professional subgroups and tasks were made using analysis of variance ANOVA, multivariate ANOVA, and Duncan test. An association between workload levels (NASA TLX) and the frequency of radiotherapy incidents (WHO incidents) was explored (Pearson correlation test). Results: A total of 173 workload assessments were obtained. Overall, simulation therapists had relatively low workloads (NASA TLX range, 30-36), and physicists had relatively high workloads (NASA TLX range, 51-63). NASA TLX scores for physicians, radiation therapists, and dosimetrists ranged from 40-52. There was marked intertask/professional subgroup variation (P<.0001). Mental demand (P<.001), physical demand (P=.001), and effort (P=.006) significantly differed among professional subgroups. Typically, there were 3-5 stressors per cycle of analyzed tasks with the following distribution: interruptions (41.4%), time factors (17%), technical factors (13.6%), teamwork issues (11.6%), patient factors (9.0%), and environmental factors (7.4%). A positive association between workload and frequency of reported radiotherapy incidents by the WHO was found (r = 0.87, P value=.045). Conclusions: Workload level and sources of stressors vary among professional subgroups. Understanding the factors that influence these findings can guide adjustments to the workflow procedures, physical layout, and/or communication protocols to enhance safety. Additional evaluations are needed in order to better understand if these findings are systemic.

62 RADIOLOGY AND NUCLEAR MEDICINE↗