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At least 1,279 records · Page 71

Multi-fidelity microstructure-induced uncertainty quantification by advanced Monte Carlo methods

Quantifying uncertainty associated with the microstructure variation of a material can be a computationally daunting task, especially when dealing with advanced constitutive models and fine mesh resolutions in the crystal plasticity finite element method (CPFEM). Numerous studies have been conducted regarding the sensitivity of material properties and performance to the mesh resolution and choice of constitutive model. However, a unified approach that accounts for various fidelity parameters, such as mesh resolutions, integration time-steps and constitutive models simultaneously is currently lacking. Further, this paper proposes a novel uncertainty quantification (UQ) approach for computing the properties and performance of homogenized materials using CPFEM, that exploits a hierarchy of approximations with different levels of fidelity. In particular, we illustrate how multi-level sampling methods, such as multi-level Monte Carlo (MLMC) and multi-index Monte Carlo (MIMC), can be applied to assess the impact of variations in the microstructure of polycrystalline materials on the predictions of homogenized materials properties. We show that by adaptively exploiting the fidelity hierarchy, we can significantly reduce the number of microstructures required to reach a certain prescribed accuracy. Finally, we show how our approach can be extended to a multi-fidelity framework, where we allow the underlying constitutive model to be chosen from either a phenomenological plasticity model or a dislocation-density-based model.

36 MATERIALS SCIENCE↗

Digital pulse processing for NaI(Tl) detectors

We apply two different post-processing techniques to digital pulses induced by photons in a NaI(Tl) detector and compare the obtained energy resolution to the standard analog approach. Our digital acquisition approach is performed using a single-stage acquisition with a fast digitizer. Both the post-processing techniques we propose rely on signal integration. In the first, the pulse integral is calculated by directly numerically integrating the pulse digital samples, while in the second the pulse integral is estimated by a model-based fitting of the pulse. Our study used a 7.62 cm×7.62 cm cylindrical NaI(Tl) detector that gave a 7.60% energy resolution (at 662 keV), using the standard analog acquisition approach, based on a pulse shaping amplifier. The new direct numerical integration yielded a 6.52% energy resolution. The fitting approach yielded a 6.55% energy resolution, and, although computationally heavier than numerical integration, is preferable when only the early samples of the pulse are available. We also evaluated the timing performance of a fast–slow detection system, encompassing an EJ-309 and a NaI(Tl) scintillator. Here, we use two techniques to determine the pulse start time: constant fraction discrimination (CFD) and adaptive noise threshold timing (ANT), for both the analog and digital acquisition approach. With the analog acquisition approach, we found a system time resolution of 5.8 ns and 7.3 ns, using the constant fraction discrimination and adaptive noise threshold timing, respectively. With the digital acquisition approach, a time resolution of 1.2 ns was achieved using the ANT method and 3.3 ns using CFD at 50% of the maximum, to select the pulse start time. Finally, the proposed direct digital readout and post-processing techniques can improve the application of NaI(Tl) detectors, traditionally considered ‘slow’, for fast counting and correlation measurements, while maintaining a good measurement of the energy resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An integrated insight into the response of sedimentary microbial communities to heavy metal contamination

Response of biological communities to environmental stresses is a critical issue in ecology, but how microbial communities shift across heavy metal gradients remain unclear. To explore the microbial response to heavy metal contamination (e.g., Cr, Mn, Zn), the composition, structure and functional potential of sedimentary microbial community were investigated by sequencing of 16S rRNA gene amplicons and a functional gene microarray. Analysis of 16S rRNA sequences revealed that the composition and structure of sedimentary microbial communities changed significantly across a gradient of heavy metal contamination and the relative abundances were higher for Firmicutes, Chloroflexi and Crenarchaeota, but lower for Proteobacteria and Actinobacteria in highly contaminated samples. Also, molecular ecological network analysis of sequencing data indicated that their possible interactions might be enhanced in highly contaminated communities. Correspondently, key functional genes involved in metal homeostasis (e.g., chrR, metC, merB), carbon metabolism and organic remediation showed a higher abundance in highly contaminated samples, indicating that bacterial communities in contaminated areas may modulate their energy consumption and organic remediation ability. This study indicated that the sedimentary indigenous microbial community may shift the composition and structure as well as function priority and interaction network to increase their adaptability and/or resistance to environmental contamination.

Science & Technology - Other Topics↗

Image processing workflow yielding high contrast synchrotron nanoscale computed tomography data from Ni-YSZ electrodes

The operating lifetime of Ni-YSZ fuel electrodes used in solid oxide electrolysis cells and fuel cells (SOECs and SOFCs) is limited by Ni redistribution, one of the primary degradation mechanisms that must be overcome to extend the longevity and maximize the performance of SOECs and SOFCs. To achieve this, 3D microstructural data is needed to relate both initial performance and performance loss over time to microstructural properties and their evolution throughout operation under various conditions. However, 3D microstructure data remains relatively scarce within the literature due to multiple challenges in acquiring and analyzing such data reliably. This work presents a workflow for acquiring and processing synchrotron X-ray nanoscale computed tomography (nano-CT) data from Ni-YSZ electrodes. Parameters for each step in the nano-CT workflow are described up to the final result (a 3D reconstruction), with particular emphasis on image alignment using freely available software. Following the results of a parametric sweep of the image alignment step, high contrast, low signal-to-noise 3D nano-CT data is obtained with relatively short compute times. While the exact methods best suited to samples with different microstructural qualities, or similar Ni-YSZ nano-CT data obtained from other sources may deviate from the solution found herein, this work also generalizes the decision points and evaluation of each step to provide a starting point to adapt this workflow to other datasets.

08 HYDROGEN↗

Determination of hydrogen in milligram quantities of titanium and its alloys

An accurate, versatile, and sensitive method for the determination of hydrogen in milligram-size titanium samples is presented. It involves extraction of hydrogen at 1070 K while a mercury diffusion pump transfers the evolved gases into the inlet of a mass spectrometer. All the evolved gases may then be positively identified and determined. This method can be readily adapted for use with other metals and for the study of the slow evolution of hydrogen. Reduction of interferences due to the evolution of hydrogen by reactions involving vapors such as those of water, acetone, and vacuum grease is discussed.

Otterson, D. A.↗

Compact Microscope Imaging System With Intelligent Controls Improved

The Compact Microscope Imaging System (CMIS) with intelligent controls is a diagnostic microscope analysis tool with intelligent controls for use in space, industrial, medical, and security applications. This compact miniature microscope, which can perform tasks usually reserved for conventional microscopes, has unique advantages in the fields of microscopy, biomedical research, inline process inspection, and space science. Its unique approach integrates a machine vision technique with an instrumentation and control technique that provides intelligence via the use of adaptive neural networks. The CMIS system was developed at the NASA Glenn Research Center specifically for interface detection used for colloid hard spheres experiments; biological cell detection for patch clamping, cell movement, and tracking; and detection of anode and cathode defects for laboratory samples using microscope technology.

McDowell, Mark↗

Real-time exhaust gas modular flowmeter and emissions reporting system for mobile apparatus

A real-time emissions reporting system includes an instrument module adapted to be detachably connected to the exhaust pipe of a combustion engine to provide for flow of exhaust gas therethrough. The instrument module includes a differential pressure probe which allows for determination of flow rate of the exhaust gas and a gas sampling tube for continuously feeding a sample of the exhaust gas to a gas analyzer or a mounting location for a non-sampling gas analyzer. In addition to the module, the emissions reporting system also includes an elastomeric boot for detachably connecting the module to the exhaust pipe of the combustion engine, a gas analyzer for receiving and analyzing gases sampled within the module and a computer for calculating pollutant mass flow rates based on concentrations detected by the gas analyzer and the detected flowrate of the exhaust gas. The system may also include a particulate matter detector with a second gas sampling tube feeding same mounted within the instrument module.

Breton, Leo Alphonse Gerard↗

Surveys of Returned ISS Hardware for MMMOD Impacts

Since February 2001, the Hypervelocity Impact Technology (HVIT) group at the Johnson Space Center (JSC) in Houston has performed 35 post-flight inspections on space exposed hardware returned from the International Space Station (ISS). Data on 1,188 observations of micrometeoroid and orbital debris (MMOD) damage have been collected from these inspections. Survey documentation typically includes impact feature location and size measurements as well as microscopic photography (25-200x). Sampling of impacts sites for projectile residue was performed for the largest features. Results of energy dispersive X-ray spectroscopic analysis to discern impactor source are included in the database when available. This paper will focus on two inspections, the Pressurized Mating Adapter 2 (PMA-2) cover returned in 2015 after 1.6 years exposure with 26 observed impact features, and two Airlock shield panels returned in 2010 after 8.75 years exposure with 58 MMOD impacts. Feature sizes from the observed data are compared to predictions using the Bumper 3 risk assessment code.

Hyde, J. L.↗

Rao-Blackwellization for Adaptive Gaussian Sum Nonlinear Model Propagation

When dealing with imperfect data and general models of dynamic systems, the best estimate is always sought in the presence of uncertainty or unknown parameters. In many cases, as the first attempt, the Extended Kalman filter (EKF) provides sufficient solutions to handling issues arising from nonlinear and non-Gaussian estimation problems. But these issues may lead unacceptable performance and even divergence. In order to accurately capture the nonlinearities of most real-world dynamic systems, advanced filtering methods have been created to reduce filter divergence while enhancing performance. Approaches, such as Gaussian sum filtering, grid based Bayesian methods and particle filters are well-known examples of advanced methods used to represent and recursively reproduce an approximation to the state probability density function (pdf). Some of these filtering methods were conceptually developed years before their widespread uses were realized. Advanced nonlinear filtering methods currently benefit from the computing advancements in computational speeds, memory, and parallel processing. Grid based methods, multiple-model approaches and Gaussian sum filtering are numerical solutions that take advantage of different state coordinates or multiple-model methods that reduced the amount of approximations used. Choosing an efficient grid is very difficult for multi-dimensional state spaces, and oftentimes expensive computations must be done at each point. For the original Gaussian sum filter, a weighted sum of Gaussian density functions approximates the pdf but suffers at the update step for the individual component weight selections. In order to improve upon the original Gaussian sum filter, Ref. [2] introduces a weight update approach at the filter propagation stage instead of the measurement update stage. This weight update is performed by minimizing the integral square difference between the true forecast pdf and its Gaussian sum approximation. By adaptively updating each component weight during the nonlinear propagation stage an approximation of the true pdf can be successfully reconstructed. Particle filtering (PF) methods have gained popularity recently for solving nonlinear estimation problems due to their straightforward approach and the processing capabilities mentioned above. The basic concept behind PF is to represent any pdf as a set of random samples. As the number of samples increases, they will theoretically converge to the exact, equivalent representation of the desired pdf. When the estimated qth moment is needed, the samples are used for its construction allowing further analysis of the pdf characteristics. However, filter performance deteriorates as the dimension of the state vector increases. To overcome this problem Ref. [5] applies a marginalization technique for PF methods, decreasing complexity of the system to one linear and another nonlinear state estimation problem. The marginalization theory was originally developed by Rao and Blackwell independently. According to Ref. [6] it improves any given estimator under every convex loss function. The improvement comes from calculating a conditional expected value, often involving integrating out a supportive statistic. In other words, Rao-Blackwellization allows for smaller but separate computations to be carried out while reaching the main objective of the estimator. In the case of improving an estimator's variance, any supporting statistic can be removed and its variance determined. Next, any other information that dependents on the supporting statistic is found along with its respective variance. A new approach is developed here by utilizing the strengths of the adaptive Gaussian sum propagation in Ref. [2] and a marginalization approach used for PF methods found in Ref. [7]. In the following sections a modified filtering approach is presented based on a special state-space model within nonlinear systems to reduce the dimensionality of the optimization problem in Ref. [2]. First, the adaptive Gaussian sum propagation is explained and then the new marginalized adaptive Gaussian sum propagation is derived. Finally, an example simulation is presented.

state estimation↗

New Active Optical Technique Developed for Measuring Low-Earth-Orbit Atomic Oxygen Erosion of Polymers

Polymers such as polyimide Kapton (DuPont) and Teflon FEP (DuPont, fluorinated ethylene propylene) are commonly used spacecraft materials because of desirable properties such as flexibility, low density, and in the case of FEP, a low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low-Earth-orbit (LEO) environment are exposed to energetic atomic oxygen. Atomic oxygen reaction with polymers causes erosion, which is a threat to spacecraft performance and durability. It is, therefore, important to understand the atomic oxygen erosion yield E (the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. The most common technique for determining E is a passive technique based on mass-loss measurements of samples exposed to LEO atomic oxygen during a space flight experiment. There are certain disadvantages to this technique. First, because it is passive, data are not obtained until after the flight is completed. Also, obtaining the preflight and postflight mass measurements is complicated by the fact that many polymers absorb water and, therefore, the mass change due to water absorption can affect the E data. This is particularly true for experiments that receive low atomic oxygen exposures or for samples that have a very low E. An active atomic oxygen erosion technique based on optical measurements has been developed that has certain advantages over the mass-loss technique. This in situ technique can simultaneously provide the erosion yield data on orbit and the atomic oxygen exposure fluence, which is needed for erosion yield determination. In the optical technique, either sunlight or artificial light can be used to measure the erosion of semitransparent or opaque polymers as a result of atomic oxygen attack. The technique is simple and adaptable to a rather wide range of polymers, providing that they have a sufficiently high optical absorption coefficient. If one covers a photodiode with a uniformly thick sheet of semitransparent polymer such as Kapton H polyimide, then as atomic oxygen erodes the polymer, the short-circuit current from the photodiode will increase in an exponential manner with fluence. This nonlinear response with fluence results in a lack of sensitivity for measuring low atomic oxygen fluences. However, if one uses a variable-thickness polymer or carbon sample, which is configured as shown in the preceding figure, then a linear response can be achieved for opaque materials using a parabolic well for a circular geometry detector or a V-shaped well for a rectangular-geometry detector. Variable-thickness samples can be fabricated using many thin polymer layers. For semitransparent polymers such as Kapton H polyimide, there is an initial short-circuit current that is greater than zero. This current has a slightly nonlinear dependence on atomic oxygen fluence in comparison to opaque materials such as black Kapton as shown in the graph. For this graph figure, the total thickness of Kapton H was assumed to be 0.03 cm. The photodiode short-circuit current shown in the graph was generated on the basis of preliminary measurements-a total reflectance rho of 0.0424 and an optical absorption coefficient a of 146.5 cm(sup -1). In addition to obtaining on-orbit data, the advantage of this active erosion and erosion yield measurement technique is its simplicity and reliance upon well-characterized fluence witness materials as well as a nearly linear photodiode short-circuit current dependence upon atomic oxygen fluence. The optical technique is useful for measuring either atomic oxygen fluence or erosion, depending on the information desired. To measure the atomic oxygen erosion yield of a test material, one would need to have two photodiode sensors, one for the test material and one that uses a known erosion yield material (such as Kapton) to measure the atomic oxygen fluence.

Banks, Bruce A.↗

Comparative ignition tests of coal under oxy-fuel conditions in a standardized laboratory test rig

Ignitability is important to characterize pulverized coal combustion, as it is directly related to flame stability. The current paper describes a practical test rig for rapid laboratory analysis of pulverized coal cloud ignition properties. The system has been designed for conventional coal combustion conditions using air as the oxidant. In the current work, the measurement principle of the device is described and its adaption to and applicability for oxy-fuel combustion tests is demonstrated. Four coals with different rank were measured in air and in oxy-fuel atmospheres containing 20–35 vol% O 2 in CO 2 . Finally, the major influencing factors for the investigated samples were found to be the coal rank and the gas-phase oxygen concentration, while a minor influence of particle size was observed.

01 COAL, LIGNITE, AND PEAT↗

Optimization Stability in Excited-State-Specific Variational Monte Carlo

Here, we investigate the issue of optimization stability in variance-based state-specific variational Monte Carlo, discussing the roles of the objective function, the complexity of wave function ansatz, the amount of sampling effort, and the choice of minimization algorithm. Using a small cyanine dye molecule as a test case, we systematically perform minimizations using variants of the linear method as both a standalone algorithm and in a hybrid combination with accelerated descent. We demonstrate that adaptive step control is crucial for maintaining the linear method's stability when optimizing complicated wave functions and that the hybrid method enjoys both greater stability and minimization performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uncertainty in least-squares fits to the thermal noise spectra of nanomechanical resonators with applications to the atomic force microscope

Thermal noise spectra of nanomechanical resonators are used widely to characterize their physical properties. These spectra typically exhibit a Lorentzian response, with additional white noise due to extraneous processes. Least-squares fits of these measurements enable extraction of key parameters of the resonator, including its resonant frequency, quality factor, and stiffness. Here, we present general formulas for the uncertainties in these fit parameters due to sampling noise inherent in all thermal noise spectra. Good agreement with Monte Carlo simulation of synthetic data and measurements of an Atomic Force Microscope (AFM) cantilever is demonstrated. These formulas enable robust interpretation of thermal noise spectra measurements commonly performed in the AFM and adaptive control of fitting procedures with specified tolerances.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Bacterial community structure and functional contributions to emergence of health or necrotizing enterocolitis in preterm infants

Background: Preterm infants represent a unique patient population that is born functionally immature and must accomplish development under the influence of a hospital environment. Neonatal necrotizing enterocolitis (NEC) is an inflammatory intestinal disorder affecting preterm infants. The purpose of this study was to evaluate the progression of intestinal microbiota community development between preterm infants who remained healthy compared to preterm infants who developed NEC. Results: Weekly fecal samples from ten preterm infants, five with NEC and five matched healthy controls were obtained. Bacterial DNA from individual fecal samples was subjected to sequencing of 16S rRNA-based inventories using the 454 GS-FLX platform. Fecal samples from control infants demonstrated a temporal pattern in their microbiota, which converged toward that of a healthy full term breast-fed infant. Microbiota development in NEC patients diverged from controls beginning three weeks prior to diagnosis. Shotgun metagenomic sequencing was performed to identify functional differences in the respective microbiota of fecal samples from a set of twins in which one twin developed NEC and one did not. The majority of the differentially abundant genes in the NEC patient were associated with carbohydrate metabolism and mapped to members of the family Enterobacteriaceae. This may indicate an adaptation of the community to an altered profile of substrate availability for specific members as a first step towards the development of NEC. We propose that the microbial communities as a whole may metabolize milk differently, resulting in differential substrate availability for specific microbial groups. Additional differentially represented gene sets of interest were related to antibiotic resistance and vitamin biosynthesis. Conclusions: Our results suggest that there is a temporal component to microbiome development in healthy preterm infants. Thus, bacteriotherapy for the treatment or prevention of NEC must consider this temporal component of the microbial community in addition to its taxonomic composition and functional content.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation of the Lawrence Livermore Microbal Detection Array at the Statens Serum Institut CRADA No. TC02189

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Statens Serum Institut to evaluate and transition the Lawrence Livermore Microarray Detection Array (LLMDA) analysis software package, the Composite Likelihood Maximization method (CLiMax) to the SSI. The SSI is a public enterprise under the Danish Ministry of Health that operates a microbiology reference laboratory for the Danish population and analyzes tens to thousands of human clinical samples annually. SSI has been collaborating with the LLNL team for several years to use the LLMDA to analyze viral and bacterial infections from human clinical samples. The collaboration has resulted in two joint publications thus far, describing improvements to LLMDA sample preparation, and the utility of the LLMDA for detecting emerging viruses in clinical samples. Under our previous collaboration, SSI has performed LLMDA experiments at their facility and then transferred the raw LLMDA data to LLNL for analysis. SSI had purchased LLMDA microarrays directly from the manufacturer, Roche NimbleGen. The main purpose of the current collaboration was to adapt the CLiMax analysis software so that it could run on a computer located at SSI. Additional effort was budgeted for LLNL staff to assist SSI with the transition and the operation of the software. The primary deliverable is the CLiMax software, installed on a computer at SSI.

59 BASIC BIOLOGICAL SCIENCES↗

Precipitation measurements from space - Workshop summary 28 April-1 May 1981, Greenbelt, MD

The goals and methods for global precipitation measurements from space are examined. Records currently exist only for visible and IR scans of cloud properties, and are applied from GEO for detecting diurnal variations in precipitation. Microwave radiometry is noted to be a suitable method for supplementing the visible and IR data for measuring stratiform oceanic precipitation, and when used at up to 3 microns can detect areas, if not amounts, of precipitation from GEO. Applications of radar altimeters are proposed in terms of modifications to the Seasat-type 2.2 cm radar, the use of surface target attentuation radar, of frequency agile rain radar, or of adaptive pointing radar. Soil moisture sensing is available with passive microwave radiometry in the 20-50 cm bands, or active sensing in the 5-8 cm bands. The utilization of GARP ground truth data is explored, along with statistical methods for treating the data samples.

Atlas, D.↗

Data compression experiments with LANDSAT thematic mapper and Nimbus-7 coastal zone color scanner data

A case study is presented where an image segmentation based compression technique is applied to LANDSAT Thematic Mapper (TM) and Nimbus-7 Coastal Zone Color Scanner (CZCS) data. The compression technique, called Spatially Constrained Clustering (SCC), can be regarded as an adaptive vector quantization approach. The SCC can be applied to either single or multiple spectral bands of image data. The segmented image resulting from SCC is encoded in small rectangular blocks, with the codebook varying from block to block. Lossless compression potential (LDP) of sample TM and CZCS images are evaluated. For the TM test image, the LCP is 2.79. For the CZCS test image the LCP is 1.89, even though when only a cloud-free section of the image is considered the LCP increases to 3.48. Examples of compressed images are shown at several compression ratios ranging from 4 to 15. In the case of TM data, the compressed data are classified using the Bayes' classifier. The results show an improvement in the similarity between the classification results and ground truth when compressed data are used, thus showing that compression is, in fact, a useful first step in the analysis.

Tilton, James C.↗

Sampling Particles In Hot Gas Plumes

Sampling darts and launching apparatus built to collect particles in vertical plume of hot gas. In original application, hot gas plume is rocket-engine exhaust during test firing. Dart passes made at various heights, depending on launch angle and launch-gas pressure. Adaptable to variety of terrestrial uses like research on particulate emissions of volcanoes or determining origin of building fire while still burning.

Taylor, James F.↗