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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

A Hybrid Approach to Protein Differential Expression in Mass Spectrometry-Based Proteomics

Motivation: Quantitative mass spectrometry-based proteomics involves statistical inference on protein abundance, based on the intensities of each protein's associated spectral peaks. However, typical MS-based proteomics data sets have substantial proportions of missing observations, due at least in part to censoring of low intensities. This complicates intensity-based differential expression analysis. Results: We outline a statistical method for protein differential expression, based on a simple Binomial likelihood. By modeling peak intensities as binary, in terms of 'presence/ absence,' we enable the selection of proteins not typically amendable to quantitative analysis; e.g., 'one-state' proteins that are present in one condition but absent in another. In addition, we present an analysis protocol that combines quantitative and presence/ absence analysis of a given data set in a principled way, resulting in a single list of selected proteins with a single associated FDR.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Formation of Si nanocrystals in multilayered nanoperiodic Al{sub 2}O{sub 3}/SiO{sub x}/Al{sub 2}O{sub 3}/SiO{sub x}/.../Si(100) structures: Synchrotron and photoluminescence data

The results of X-ray absorption near-edge structure spectroscopy data obtained with synchrotron radiation for multilayered nanoperiodic Al{sub 2}O{sub 3}/SiO{sub x}/Al{sub 2}O{sub 3}/SiO{sub x}/.../Si(100) structures annealed at temperatures of 500–1100°C are reported. The data show that, upon high-temperature annealing (∼1100°C), the structures are modified. The modification is attributed to the formation of Si nanocrystals in deep layers of the structures. At the same time, the structures exhibit size-dependent high-intensity photoluminescence in the photon-energy range 1.4–1.52 eV.

36 MATERIALS SCIENCE↗
NASA NTRS2000

X-Ray Astronomy

Dr. S. N. Zhang has lead a seven member group (Dr. Yuxin Feng, Mr. XuejunSun, Mr. Yongzhong Chen, Mr. Jun Lin, Mr. Yangsen Yao, and Ms. Xiaoling Zhang). This group has carried out the following activities: continued data analysis from space astrophysical missions CGRO, RXTE, ASCA and Chandra. Significant scientific results have been produced as results of their work. They discovered the three-layered accretion disk structure around black holes in X-ray binaries; their paper on this discovery is to appear in the prestigious Science magazine. They have also developed a new method for energy spectral analysis of black hole X-ray binaries; four papers on this topics were presented at the most recent Atlanta AAS meeting. They have also carried Monte-Carlo simulations of X-ray detectors, in support to the hardware development efforts at Marshall Space Flight Center (MSFC). These computation-intensive simulations have been carried out entirely on the computers at UAH. They have also carried out extensive simulations for astrophysical applications, taking advantage of the Monte-Carlo simulation codes developed previously at MSFC and further improved at UAH for detector simulations. One refereed paper and one contribution to conference proceedings have been resulted from this effort.

Wu, S. T.↗
NASA NTRS2003

Testing of Gyroless Estimation Algorithms for the FUSE Spacecraft

The Far Ultraviolet Spectroscopic Explorer (FUSE) is equipped with two ring laser gyros on each of the spacecraft body axes. In May 2001 one gyro failed. It is anticipated that all of the remaining gyros will fail, based on intensity warnings. In addition to the gyro failure, two of four reaction wheels failed in late 2001. The spacecraft control now relies heavily on magnetic torque to perform the necessary science maneuvers and hold on target. The only sensor consistently available during slews is a magnetometer. This paper documents the testing and development of magnetometer-based gyroless attitude and rate estimation algorithms for FUSE. The results of two approaches are presented, one relies on a kinematic model for propagation, a method used in aircraft tracking. The other is a pseudo-linear Kalman filter that utilizes Euler's equations in the propagation of the estimated rate. Both algorithms are tested using flight data collected over a few months after the reaction wheel failure. Finally, the question of closed-loop stability is addressed. The ability of the controller to meet the science slew requirements, without the gyros, is analyzed.

Harman, Rick↗
DOE OSTI2012

Sub-daily Statistical Downscaling of Meteorological Variables Using Neural Networks

A new open source neural network temporal downscaling model is described and tested using CRU-NCEP reanal ysis and CCSM3 climate model output. We downscaled multiple meteorological variables in tandem from monthly to sub-daily time steps while also retaining consistent correlations between variables. We found that our feed forward, error backpropagation approach produced synthetic 6 hourly meteorology with biases no greater than 0.6% across all variables and variance that was accurate within 1% for all variables except atmospheric pressure, wind speed, and precipitation. Correlations between downscaled output and the expected (original) monthly means exceeded 0.99 for all variables, which indicates that this approach would work well for generating atmospheric forcing data consistent with mass and energy conserved GCM output. Our neural network approach performed well for variables that had correlations to other variables of about 0.3 and better and its skill was increased by downscaling multiple correlated variables together. Poor replication of precipitation intensity however required further post-processing in order to obtain the expected probability distribution. The concurrence of precipitation events with expected changes in sub ordinate variables (e.g., less incident shortwave radiation during precipitation events) were nearly as consistent in the downscaled data as in the training data with probabilities that differed by no more than 6%. Our downscaling approach requires training data at the target time step and relies on a weak assumption that climate variability in the extrapolated data is similar to variability in the training data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Improved Moderator Performance Calculations at SNS

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory reached a nominal operating power of 1 MW in September, 2009. Even at ~2/3 of its designed capacity, SNS already becomes the brightest pulsed neutron source in the world, and a premier facility for material and life science research. To provide accurate target performance estimation and to meet future development needs, we had developed an as-built model for the operating target system of SNS. Based on this asbuilt model, the moderator performance at SNS was recalculated taking advantage of the improved physics and tallying method in the Monte Carlo simulation code, MCNPX, and most recent scattering kernels. The neutron flux intensity spectra, emission time distributions of neutron pulses and moderator brightness profiles regarding the SNS moderator performance are presented and discussed. Compared to the previous results, the current calculations show ~10-20% lower in flux with improved emission time distributions of neutron pulses. The difference between the two data sets is analyzed, as well as other factors impacting the moderator performance at SNS. The current calculation results will serve as source terms for the instrument performance simulations at SNS.

Lu, Wei↗
DOE OSTI2022

Machine Learning in Infectious Disease for Risk Factor Identification and Hypothesis Generation: Proof of Concept Using Invasive Candidiasis

Machine learning (ML) models can handle large data sets without assuming underlying relationships and can be useful for evaluating disease characteristics, yet they are more commonly used for predicting individual disease risk than for identifying factors at the population level. We offer a proof of concept applying random forest (RF) algorithms to Candida-positive hospital encounters in an electronic health record database of patients in the United States. Candida-positive encounters were extracted from the Cerner HealthFacts database; invasive infections were laboratory-positive sterile site Candida infections. Features included demographics, admission source, care setting, physician specialty, diagnostic and procedure codes, and medications received before the first positive Candida culture. We used RF to assess risk factors for 3 outcomes: any invasive candidiasis (IC) vs non-IC, within-species IC vs non-IC (eg, invasive C. glabrata vs noninvasive C. glabrata), and between-species IC (eg, invasive C. glabrata vs all other IC). Fourteen of 169 (8%) variables were consistently identified as important features in the ML models. When evaluating within-species IC, for example, invasive C. glabrata vs non-invasive C. glabrata, we identified known features like central venous catheters, intensive care unit stay, and gastrointestinal operations. In contrast, important variables for invasive C. glabrata vs all other IC included renal disease and medications like diabetes therapeutics, cholesterol medications, and antiarrhythmics. Known and novel risk factors for IC were identified using ML, demonstrating the hypothesis-generating utility of this approach for infectious disease conditions about which less is known, specifically at the species level or for rarer diseases.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

COLLABORATIVE RESEARCH: Study of Aerosol Sources and Processing at the GVAX Pantnagar Supersite

This project was part of a collaborative campaign, including the participation of scientists from seven research groups as part of the Winter Intensive Operating Period (January-February 2012) of the Clean Air for London (ClearfLo) campaign at a rural site in Detling, UK, 45 km southeast of central London to study wintertime sources of urban particulate matter. The UW contribution by PI Thornton’s group was to make the first deployment of a chemical ionization mass spectrometer instrument (MOVI-CI-ToFMS) to measure both particle and gas phase organic acids. The new instrument ran nearly continuously during the ClearfLo WINTER IOP at the Detling site, producing a first-ever data set of molecular composition information that can be used for source apportionment and process studies. The UW group published a paper in Environmental Science and Technology and contributed to another (Bohnenstengel et al BAMS 2015) detailing a direct molecular connection between biomass/biofuel burning particles and aerosol light absorption. The ES&T paper (Mohr, et al ES&T 2013) has received 42 citations in just 3 years indicative of its significant impact on the field. These measurements of urban and rural aerosol properties will contribute to improved modeling of regional aerosol emissions, and of atmospheric aging and removal.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Integrated Research Infrastructure Architecture Blueprint Activity (Final Report 2023)

The complexity of scientific pursuits is increasing rapidly with aspects that require dynamic integration of experiment, observation, theory, modeling, simulation, visualization, machine learning (ML), artificial intelligence (AI), and analysis. Research projects across the Department of Energy (DOE) are increasingly data and compute intensive. Innovative research teams are accelerating the pace of discovery by using high-performance computational and data tools in their research workflows and leveraging multiple research infrastructures. Additionally, several recent high-level U.S. government reports underscore the necessity of a new advanced computing ecosystem for international competitiveness and national security. International competitors are moving forward with major research infrastructure integration efforts that seek to capture a competitive advantage in the global innovation race. Owing to its unparalleled constellation of world-class experimental and observational facilities and high-performance and extreme-scale computational, data, and networking infrastructure, DOE is positioned to be a global leader in this new era of integrated science. However, this new integration paradigm will demand continuing evolution to ensure the U.S. remains a global leader in research and innovation. The DOE Office of Science (SC) has seized on the strategic importance of integration and has adopted a vision for Integrated Research Infrastructure (IRI): To empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation. To respond to the evolving computational requirements of research and the competitive international innovation landscape, experimental facilities could be connected with high performance computing resources for near real-time analysis, and resources should be provided for merging enormous and diverse data for AI/ML techniques and analysis.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1997

Geophysical Characterization of Some Terranes and the Geophysical Modeling of Candidate Suture Zones

Indian participation in this project was terminated during the last year by a sudden withdrawal of support by the Department of Science and Technology, India, to the Indian Institute of Geomagnetism, Bombay. As a result, significant changes in the project focus had to be undertaken. Much of the work carried out at Southern Illinois University at Carbondale during the first year of the project anticipated the Indian participation and included development of computer programs to be used on gravity and magnetic data from the Indian subcontinent and preparations for fieldwork, tutorials, and workshops in India. Despite these setbacks, which were beyond our control, a number of significant tasks have been accomplished during the project period. These include: (1) Completion of digitization of the regional Bouguer gravity anomaly map of India and the regional ground total intensity magnetic anomaly map of India at an overdetermined spacing of 0.05 degrees. (2) We investigated and assessed the limitations of the Euler method using environmental examples because detailed aeromagnetic maps of parts of India were not available for interpretation by this method. (3) We also undertook an assessment of a suture zone between the Nyaza Craton (Archean) and the Mozambique Belt (Pan African) in the Kenya Rift, Africa, using gravity anomalies and the lithospheric seismological models. (4) We studied Magsat and high-altitude (approx. 4 km) aeromagnetic data over Canada.

Ravat, D.↗
NASA NTRS2003

Testing of Gyroless Estimation Algorithms for the FUSE Spacecraft

The Far Ultraviolet Spectroscopic Explorer (FUSE) is equipped with two ring laser gyros on each of the spacecraft body axes. In May 2001 one gyro failed. It is anticipated that all of the remaining gyros will also fail based on intensity warnings. In addition to the gyro failure, two of four reaction wheels failed in late 2001. The spacecraft control now relies heavily on magnetic torque to perform the necessary science maneuvers and hold on target. The only sensor consistently available during slews is a magnetometer. This paper documents the testing and development of magnetometer-based gyroless attitude and rate estimation algorithms for FUSE. The results of two approaches are presented, one relies on a kinematic model for propagation, a method used in aircraft tracking, and the other is a pseudo-linear Kalman filter that utilizes Euler's equations in the propagation of the estimated rate. Both algorithms are tested using flight data collected over a few months before and after the reaction wheel failure. Finally, the question of closed-loop stability is addressed. The ability of the controller to meet the science slew requirements, without the gyros, is tested through simulations.

Thienel, Julie↗
DOE OSTI2024

GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading

Fourier pseudo-spectral methods for nonlinear partial differential equations are of wide interest in many areas of advanced computational science, including direct numerical simulation of three-dimensional (3-D) turbulence governed by the Navier-Stokes equations in fluid dynamics. This paper presents a new capability for simulating turbulence at a new record resolution up to 35 trillion grid points, on the world's first exascale computer, Frontier, comprising AMD MI250x GPUs with HPE's Slingshot interconnect and operated by the US Department of Energy's Oak Ridge Leadership Computing Facility (OLCF). Key programming strategies designed to take maximum advantage of the machine architecture involve performing almost all computations on the GPU which has the same memory capacity as the CPU, performing all-to-all communication among sets of parallel processes directly on the GPU, and targeting GPUs efficiently using OpenMP offloading for intensive number-crunching including 1-D Fast Fourier Transforms (FFT) performed using AMD ROCm library calls. With 99% of computing power on Frontier being on the GPU, leaving the CPU idle leads to a net performance gain via avoiding the overhead of data movement between host and device except when needed for some I/O purposes. Memory footprint including the size of communication buffers for MPI_ALLTOALL is managed carefully to maximize the largest problem size possible for a given node count. Detailed performance data including separate contributions from different categories of operations to the elapsed wall time per step are reported for five grid resolutions, from 2048 3 on a single node to 32768 3 on 4096 or 8192 nodes out of 9408 on the system. Both 1D and 2D domain decompositions which divide a 3D periodic domain into slabs and pencils respectively are implemented. The present code suite (labeled by the acronym GESTS, GPUs for Extreme Scale Turbulence Simulations) achieves a figure of merit (in grid points per second) exceeding goals set in the Center for Accelerated Application Readiness (CAAR) program for Frontier. The performance attained is highly favorable in both weak scaling and strong scaling, with notable departures only for 2048 3 where communication is entirely intra-node, and for 32768 3 , where a challenge due to small message sizes does arise. Communication performance is addressed further using a lightweight test code that performs all-to-all communication in a manner matching the full turbulence simulation code. Performance at large problem sizes is affected by both small message size due to high node counts as well as dragonfly network topology features on the machine, but is consistent with official expectations of sustained performance on Frontier. Overall, although not perfect, the scalability achieved at the extreme problem size of 32768 3 (and up to 8192 nodes — which corresponds to hardware rated at just under 1 exaflop/sec of theoretical peak computational performance) is arguably better than the scalability observed using prior state-of-the-art algorithms on Frontier's predecessor machine (Summit) at OLCF. New science results for the study of intermittency in turbulence enabled by this code and its extensions are to be reported separately in the near future.

3D fast Fourier transform↗
DOE OSTI2012

Long range lateral migration of intrinsic point defects in n-type 4H-SiC

The lateral distributions of intrinsic point defects in n-type (0001) 4H-SiC have been investigated following room temperature irradiation with a focused beam of 10 keV protons. Laterally resolved deep level transient spectroscopy measurements reveal that the well-known and prominent Z{sub 1/2} and S{sub 1/2} centers display lateral diffusion lenghts on the order of 1 mm with negligible (if any) motion parallel to the direction of the c-axis. The migration occurs only in the presence of excess charge carriers generated during the proton irradiation, and no further motion takes place even under subsequent optical excitation of high intensity. Assuming one-dimensional geometry, an effective defect diffusivity in excess of 10{sup -6} cm{sup 2}/s is deduced by numerical modelling of the experimental data, corresponding to an energy barrier for migration of {approx}0.2 eV. Possible mechanisms for the rapid migration, invoking charge carrier recombination as a necessary condition, are discussed, and especially, an association with the glide of partial dislocations along the (0001) basal plane is scrutinized in some detail.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Femtosecond laser interactions with semiconductor and dielectric materials

Electronic excitation-relaxation processes induced by ultra-short laser pulses are studied numerically for semiconductors and dielectric materials (Si, quartz). A detailed kinetic approach is used in the calculations accounting for electron-photon-phonon, electron-phonon and electron-electron scatterings. In addition, both laser field ionization ranging from multi-photon to tunneling one, and electron impact (avalanche) ionization processes are included in the model. Based on the performed calculations we study the relaxation time as a function of laser parameters. It is shown that this time depends on the density of the created free carriers, which in turn is a nonlinear function of laser intensity. In addition, a simple damage criterion is proposed based on the mean electron energy density rather than on critical free electron density. This criterion gives a reasonable agreement with the available experimental data practically without adjustable parameters. Furthermore, the performed modeling provides energy absorbed in the target, conditions for damage of dielectric materials, as well as conditions for surface plasmon excitation and for periodic surface structure formation on the surface of semiconductor materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effects, determination, and correction of count rate nonlinearity in multi-channel analog electron detectors

Detector counting rate nonlinearity, though a known problem, is commonly ignored in the analysis of angle resolved photoemission spectroscopy where modern multichannel electron detection schemes using analog intensity scales are used. We focus on a nearly ubiquitous “inverse saturation” nonlinearity that makes the spectra falsely sharp and beautiful. These artificially enhanced spectra limit accurate quantitative analysis of the data, leading to mistaken spectral weights, Fermi energies, and peak widths. We present a method to rapidly detect and correct for this nonlinearity. This algorithm could be applicable for a wide range of nonlinear systems, beyond photoemission spectroscopy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

TH-EF-BRA-05: A Method of Near Real-Time 4D MRI Using Volumetric Dynamic Keyhole (VDK) in the Presence of Respiratory Motion for MR-Guided Radiotherapy

Purpose: To develop a novel method that enables 4D MR imaging in near real-time for continuous monitoring of tumor motion in MR-guided radiotherapy. Methods: This method is mainly based on an idea of expanding dynamic keyhole to full volumetric imaging acquisition. In the VDK approach introduced in this study, a library of peripheral volumetric k-space data is generated in given number of phases (5 and 10 in this study) in advance. For 4D MRI at any given time, only volumetric central k-space data are acquired in real-time and combined with pre-acquired peripheral volumetric k-space data in the library corresponding to the respiratory phase (or amplitude). The combined k-space data are Fourier-transformed to MR images. For simulation study, an MRXCAT program was used to generate synthetic MR images of the thorax with desired respiratory motion, contrast levels, and spatial and temporal resolution. 20 phases of volumetric MR images, with 200 ms temporal resolution in 4 s respiratory period, were generated using balanced steady-state free precession MR pulse sequence. The total acquisition time was 21.5s/phase with a voxel size of 3×3×5 mm{sup 3} and an image matrix of 128×128×56. Image similarity was evaluated with difference maps between the reference and reconstructed images. The VDK, conventional keyhole, and zero filling methods were compared for this simulation study. Results: Using 80% of the ky data and 70% of the kz data from the library resulted in 12.20% average intensity difference from the reference, and 21.60% and 28.45% difference in threshold pixel difference for conventional keyhole and zero filling, respectively. The imaging time will be reduced from 21.5s to 1.3s per volume using the VDK method. Conclusion: Near real-time 4D MR imaging can be achieved using the volumetric dynamic keyhole method. That makes the possibility of utilizing 4D MRI during MR-guided radiotherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Transmission System for Broadband Analog Signals Using External Modulation of Optical Radiation

Fiber optic communication lines on the basis of the Mach–Zehnder intensity modulator can be used in studies of pulsed plasma for transmission of signals from detectors to data acquisition equipment. In this study, a system for transmission of nanosecond signals over fiber optic cables in the ranges of 1550 and 850 nm is demonstrated. A chronographic electro-optical detector is used for recording the signals in the range of 850 nm.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2010

Marine Corps Base Camp Lejeune Greenness Gain from 1984 to 2005

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.Gain of Green Vegetation between 1984 and 2005 from Landsat TM5 images. Results are based on the difference in the Tassle Cap greenness band recorded in 1984 to the greenness recorded in 1990. This Intensity of green gain was then developed into a four category green gain classification using the mean and standard deviation of the green gain difference data set standardized to the 1984-2007 change period: 0. No green gain, green loss, or background 1. No significant change; values > 0 to =< 0.02147 (mean) 2. Moderate green gain, thicker veg, etc; values > 0.02147 to =< 0.0525 (mean + SD) 3. Large green gain; values > 0.0525 to max Classes 2 and 3 are retained as significant green gain locations. Polygon patches are labeled with the intensity value in the attribute 'GRIDCODE'. Greenness gain in MCBCL is largely timber harvest areas that have regrown.

54 ENVIRONMENTAL SCIENCES↗