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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

SU-F-T-151: Measurement Evaluation of Skin Dose in Scanning Proton Beam Therapy for Breast Cancer

Purpose: To measure the skin dose and compare it with the calculated dose from a treatment planning system (TPS) for breast cancer treatment using scanning proton beam therapy (SPBT). Methods: A single en-face-beam SPBT plan was generated by a commercial TPS for two breast cancer patients. The treatment volumes were the entire breasts (218 cc and 1500 cc) prescribed to 50.4 Gy (RBE) in 28 fractions. A range shifter of 5 cm water equivalent thickness was used. The organ at risk (skin) was defined to be 5 mm thick from the surface. The skin doses were measured in water with an ADCL calibrated parallel plate (PP) chamber. The measured data were compared with the values calculated in the TPS. Skin dose calculations can be subject to uncertainties created by the definition of the external contour and the limitations of the correction based algorithms, such as proton convolution superposition. Hence, the external contours were expanded by 0, 3 mm and 1 cm to include additional pixels for dose calculation. In addition, to examine the effects of the cloth gown on the skin dose, the skin dose measurements were conducted with and without gown. Results: On average the measured skin dose was 4% higher than the calculated values. At deeper depths, the measured and calculated doses were in better agreement (< 2%). Large discrepancy occur for the dose calculated without external expansion due to volume averaging. The addition of the gown only increased the measured skin dose by 0.4%. Conclusion: The implemented TPS underestimated the skin dose for breast treatments. Superficial dose calculation without external expansion would result in large errors for SPBT for breast cancer.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments— including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers—is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.

computational science and engineering↗
DOE OSTI2015

GraphReduce: Processing Large-Scale Graphs on Accelerator-Based Systems

Recent work on real-world graph analytics has sought to leverage the massive amount of parallelism offered by GPU devices, but challenges remain due to the inherent irregularity of graph algorithms and limitations in GPU-resident memory for storing large graphs. We present GraphReduce, a highly efficient and scalable GPU-based framework that operates on graphs that exceed the device’s internal memory capacity. GraphReduce adopts a combination of edge- and vertex-centric implementations of the Gather-Apply-Scatter programming model and operates on multiple asynchronous GPU streams to fully exploit the high degrees of parallelism in GPUs with efficient graph data movement between the host and device.

Architecture optimization, reuse, performance, ene↗
DOE OSTI2017

Reproducibility and Variability of I/O Performance on BG/Q: Lessons Learned from a Data Aggregation Algorithm

Reading and writing data efficiently from different tiers of storage is necessary for most scientific simulations to achieve good performance at scale. Many software solutions have been developed to decrease the I/O bottleneck. One wellknown strategy, in the context of collective I/O operations, is the two-phase I/O scheme. This strategy consists of selecting a subset of processes to aggregate contiguous pieces of data before performing reads/writes. In our previous work, we implemented the two-phase I/O scheme with a MPI-based topology-aware algorithm. Our algorithm showed very good performance at scale compared to the standard I/O libraries such as POSIX I/O and MPI I/O. However, the algorithm had several limitations hindering a satisfying reproducibility of our experiments. In this paper, we extend our work by 1) identifying the obstacles we face to reproduce our experiments and 2) discovering solutions that reduce the unpredictability of our results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

ELECTRONIC STRUCTURE METHODS AND PROTOCOLS WITH APPLICATION TO DYNAMICS, KINETICS AND THERMOCHEMISTRY

Hydrocarbon combustion involves the reaction dynamics of a tremendous number of species beginning with many-component fuel mixtures and proceeding via a complex system of intermediates to form primary and secondary products. Combustion conditions corresponding to new advanced engines and/or alternative fuels rely increasingly on autoignition and low-temperature-combustion chemistry. In these regimes various transient radical species such as HO2, ROO·, ·QOOH, HCO, NO2, HOCO, and Criegee intermediates play important roles in determining the detailed as well as more general dynamics. A clear understanding and accurate representation of these processes is needed for effective modeling. Given the difficulties associated with making reliable experimental measurements of these systems, computation can play an important role in developing these energy technologies. Accurate calculations have their own challenges since even within the simplest dynamical approximations such as transition state theory, the rates depend exponentially on critical barrier heights and these may be sensitive to the level of quantum chemistry. Moreover, it is well-known that in many cases it is necessary to go beyond statistical theories and consider the dynamics. Quantum tunneling, resonances, radiative transitions, and non-adiabatic effects governed by spin-orbit or derivative coupling can be determining factors in those dynamics. Building upon progress made during a period of prior support through the DOE Early Career Program, this project combines developments in the areas of potential energy surface (PES) fitting and multistate multireference quantum chemistry to allow spectroscopically and dynamically/kinetically accurate investigations of key molecular systems (such as those mentioned above), many of which are radicals with strong multireference character and have the possibility of multiple electronic states contributing to the observed dynamics. An ongoing area of investigation is to develop general strategies for robustly convergent electronic structure theory for global multichannel reactive surfaces including diabatization of energy and other relevant surfaces such as dipole transition. Combining advances in ab initio methods with automated interpolative PES fitting allows the construction of high-quality PESs (incorporating thousands of high-level data) to be done rapidly through parallel processing on high-performance computing (HPC) clusters. In addition, new methods and approaches to electronic structure theory will be developed and tested through applications. This project will explore limitations in traditional multireference calculations (e.g., MRCI) such as those imposed by internal contraction, lack of high-order correlation treatment and poor scaling. Methods such as DMRG-based extended active-space CASSCF and various Quantum Monte Carlo (QMC) methods will be applied (including VMC/DMC and FCIQMC). Insight into the relative significance of different orbital spaces and the robustness of application of these approaches on leadership class computing architectures will be gained. Synergy with other components of this research program such as automated PES fitting and multireference quantum chemistry will be used to address challenges encountered by the standard approaches to computational thermochemistry (those being single-reference quantum chemistry and perturbative treatments of the anharmonic vibrational energy, which break down for some cases of electronic structure or floppy strongly coupled vibrational modes).

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Detailed Chemical Abundances for a Benchmark Sample of M Dwarfs from the APOGEE Survey

Individual chemical abundances for 14 elements (C, O, Na, Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Fe, and Ni) are derived for a sample of M dwarfs using high-resolution, near-infrared H-band spectra from the Sloan Digital Sky Survey-IV/Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. The quantitative analysis included synthetic spectra computed with 1D LTE plane-parallel MARCS models using the APOGEE Data Release 17 line list to determine chemical abundances. The sample consists of 11 M dwarfs in binary systems with warmer FGK dwarf primaries and 10 measured interferometric angular diameters. To minimize atomic diffusion effects, [X/Fe] ratios are used to compare M dwarfs in binary systems and literature results for their warmer primary stars, indicating good agreement (<0.08 dex) for all studied elements. The mean abundance difference in primaries minus this work's M dwarfs is –0.05 ± 0.03 dex. It indicates that M dwarfs in binary systems are a reliable way to calibrate empirical relationships. A comparison with abundance, effective temperature, and surface gravity results from the APOGEE Stellar Parameter and Chemical Abundances Pipeline (ASPCAP) Data Release 16 finds a systematic offset of [M/H], T eff , log g = +0.21 dex, –50 K, and 0.30 dex, respectively, although ASPCAP [X/Fe] ratios are generally consistent with this study. The metallicities of the M dwarfs cover the range of [Fe/H] = –0.9 to +0.4 and are used to investigate Galactic chemical evolution via trends of [X/Fe] as a function of [Fe/H]. The behavior of the various elemental abundances [X/Fe] versus [Fe/H] agrees well with the corresponding trends derived from warmer FGK dwarfs, demonstrating that the APOGEE spectra can be used to examine Galactic chemical evolution using large samples of selected M dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Chandra Follow-up of the SDSS DR8 Redmapper Catalog Using the MATCha Pipeline

In order to place constraints on cosmology through optical surveys of galaxy clusters, one must first understand the properties of those clusters. To this end, we introduce the Mass Analysis Tool for Chandra (MATCha), a pipeline that uses a parallellized algorithm to analyze archival Chandra data. MATCha simultaneously calculates X-ray temperatures and luminosities and performs centering measurements for hundreds of potential galaxy clusters using archival X-ray exposures. We run MATCha on the redMaPPer SDSS DR8 cluster catalog and use MATCha's output X-ray temperatures and luminosities to analyze the galaxy cluster temperature–richness, luminosity–richness, luminosity–temperature, and temperature–luminosity scaling relations. We detect 447 clusters and determine 246 r 2500 temperatures across all redshifts. Within 0.1 < z < 0.35, we find that r 2500 T X scales with optical richness (λ) as $\mathrm{ln}\left(\tfrac{{k}_{B}{T}_{{\rm{X}}}}{1.0\,\mathrm{keV}}\right)=(0.52\pm 0.05)\mathrm{ln}\left(\tfrac{\lambda }{70}\right)+(1.85\pm 0.03)$ with an intrinsic scatter of $0.27\pm 0.02$ ($1\sigma $). We investigate the distribution of offsets between the X-ray center and redMaPPer center within 0.1 < z < 0.35, finding that 68%.3 ± 6.5% of clusters are well-centered. However, we find a broad tail of large offsets in this distribution, and we explore some of the causes of redMaPPer miscentering.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Simultaneous film and convection cooling of a plate inserted in the exhaust stream of a gas turbine combustor

Data were obtained on a parallel-flow film- and convection-cooled test section placed in the exhaust stream of a rectangular-sector combustor. The combustor was operated at atmospheric pressure and at exhaust temperatures of 589 and 1033 K (600 and 1400 F). The cooling air was at ambient pressure and temperature. Test results indicate that it is better to use combined film and convection cooling rather than either film or convection cooling alone for a fixed total coolant flow. An optimum ratio of film to convection cooling flow rates was determined for the particular geometry tested. The experimental results compared well with calculated results.

Marek, C. J.↗
NASA NTRS1971

Study of precise positioning at L-band using communications satellites

The L-band positioning experiment is reported which encompassed experiment design, experimentation, and data reduction and analysis. In the experiment the ATS-5 synchronous satellite L-band transponder was used in conjunction with the modified ALPHA 2 navigation receivers to demonstrate the technical capability of precision position fixing for oceanographic purposes. The feasibility of using relative ranging techniques implemented by two identical receiving systems, properly calibrated, to determine a line of position accurately on the surface of the earth was shown. The program demonstrated the level of resolution, repeatibility, precision, and accuracy of existing modest-cost effective navigation equipment. The experiment configuration and data reduction techniques were developed in parallel with the hardware modification tasks. Test results verify the ability of a satellite-based system to satisfy the requirements of precision position fixing.

Source record↗
NASA NTRS1977

LANDSAT data from agricultural sites: Crop signature analysis

The LANDSAT multispectral scanner (MSS) data were analyzed with a view toward classification to identify wheat. The notion of spectral signature of a crop, a commonly used basis for classification, was found to be inadequate. Data analysis has revealed that the MSS data from agricultural sites were essentially two dimensional, and that the data from different sites and different acquisition lay on parallel planes in the four dimensional feature space. These results were exploited to gain new insight into the data and to develop alternate models for classification. In particular, it was found that the temporal pattern of change in the spectral response of a crop constitutes its signature and provides a basis for crop classification.

Misra, P. N.↗
NASA NTRS1979

Calculation of transonic aileron buzz

An implicit finite-difference computer code that uses a two-layer algebraic eddy viscosity model and exact geometric specification of the airfoil has been used to simulate transonic aileron buzz. The calculated results, which were performed on both the Illiac IV parallel computer processor and the Control Data 7600 computer, are in essential agreement with the original expository wind-tunnel data taken in the Ames 16-Foot Wind Tunnel just after World War II. These results and a description of the pertinent numerical techniques are included.

Steger, J. L.↗
NASA NTRS1978

The point mutation process in proteins

An optimized scoring matrix for residue-by-residue comparisons of distantly related protein sequences has been developed. The scoring matrix is based on observed exchanges and mutabilities of amino acids in 1572 closely related sequences derived from a cross-section of protein groups. Very few superimposed or parallel mutations are included in the data. The scoring matrix is most useful for demonstrating the relatedness of proteins between 65 and 85% different.

Schwartz, R. M.↗
NASA NTRS1980

Stability of an optically contacted etalon to cosmic radiation

An investigation has been completed to determine the effects of prolonged exposure to cosmic radiation on Zerodur spacing elements used between two dielectric reflectors on silica substrates in the plane Fabry-Perot etalon selected for flight in the Dynamics Explorer satellite. The measured radiation expansion coefficient for Zerodur is approximately -4.0 x 10 to the -12th/rad. In addition to the overall change in gap dimension, test data indicate a degradation in etalon parallelism, which is ascribed to the different doses received by the three spacers due to their differing distances from a Co-60 source. The effect is considered to be of practical use in the tuning and parallelism adjustment of fixed gap etalons. The variation is small enough not to pose a problem for the satellite instrument where expected radiation doses are less than 10,000 rads.

Killeen, T. L.↗
NASA NTRS1982

Interpretation of satellite-observed thunderstorm anvil structure

The radiative characteristics of an anvil plume sensed by satellite radiometers are studied to discern the reason for an observed 'V' pattern of colder temperatures and a corresponding internal warm region. The measured black body temperature is affected by the ice water content and particle distributions in the cloud layer. Attention is given to 'V' anvil structure examined by Haynesfield et al. (1979). The GOES satellite IR data are treated with a plane parallel geometric radiative transfer model and a particle trajectory model is used to simulate ice particle concentrations downwind from a strongly divergent cloud top. Output from the two models indicate the 'V' pattern arises from divergence in the storm anvil. The particle concentration was elevated within the V-shaped region, causing lower temperatures in the V arms. The V is produced by strong upper level flow as well as strong mass and moisture divergence in the storm outflow.

Heymsfield, G. M.↗
NASA NTRS1982

Acid phosphatase and protease activities in immobilized rat skeletal muscles

The effect of hind-limb immobilization on selected Iysosomal enzyme activities was studied in rat hing-limb muscles composed primarily of type 1. 2A, or 2B fibers. Following immobilization, acid protease and acid phosphatase both exhibited signifcant increases in their activity per unit weight in all three fiber types. Acid phosphatase activity increased at day 14 of immobilization in the three muscles and returned to control levels by day 21. Acid protease activity also changed biphasically, displaying a higher and earlier rise than acid phosphatase. The pattern of change in acid protease, but not acid phosphatase, closely parallels observed muscle wasting. The present data therefore demonstrate enhanced proteolytic capacity of all three fiber types early during muscular atrophy. In addition, the data suggest a dependence of basal hydrolytic and proteolytic activities and their adaptive response to immobilization on muscle fiber composition.

Witzmann, F. A.↗
NASA NTRS1987

Systems simulations supporting NASA telerobotics

Two simulation and analysis environments have been developed to support telerobotics research at the Langley Research Center. One is a high-fidelity, nonreal-time, interactive model called ROBSIM, which combines user-generated models of workspace environment, robots, and loads into a working system and simulates the interaction among the system components. Models include user-specified actuator, sensor, and control parameters, as well as kinematic and dynamic characteristics. Kinematic, dynamic, and response analyses can be selected, with system configuration, task trajectories, and arm states displayed using computer graphics. The second environment is a real-time, manned Telerobotic Systems Simulation (TRSS) which uses the facilities of the Intelligent Systems Research Laboratory (ISRL). It utilizes a hierarchical structure of functionally distributed computers communicating over both parallel and high-speed serial data paths to enable studies of advanced telerobotic systems. Multiple processes perform motion planning, operator communications, forward and inverse kinematics, control/sensor fusion, and I/O processing while communicating via common memory. This paper describes both ROBSIM and TRSS, including their capability, status, and future plans. Also described is the architecture of ISRL and recent telerobotic system studies in ISRL.

Harrison, F. Wallace, Jr.↗
NASA NTRS1988

Unsteady transonic small-disturbance theory including entropy and vorticity effects

Modifications to unsteady transonic small disturbance theory to include entropy and vorticity effects are presented. The modifications were implemented in the CAP-TSD (Computational Aeroelasticity Program - Transonic Small Disturbance) code. The code permits the aeroelastic analysis of complete aircraft configurations in the flutter critical transonic speed range. Entropy and vorticity effects were incorporated within the solution procedure to more accurately analyze flows with strong shock waves. The modified code includes these effects while retaining the relative simplicity and cost efficiency of the TSD formulation. Detailed descriptions are presented of the entropy and vorticity modifications along with calculated results and comparisons which assess the modified theory. These results are in good agreement with parallel Euler calculations and with experimental data. Therefore, the present method now provides the aeroelastician with an affordable capability to analyze relatively difficult transonic flows without having to solve the computationally more expensive Euler equations.

Batina, John T.↗
NASA NTRS1988

Unsteady transonic small-disturbance theory including entropy and vorticity effects

Modifications to unsteady transonic small-disturbance theory to include entropy and vorticity effects are presented. The modifications have been implemented in the CAP-TSD (Computational Aeroelasticity Program - Transonic Small Disturbance) code developed recently at the NASA Langley Research Center. The code permits the aeroelastic analysis of complete aircraft configurations in the flutter critical transonic speed range. Entropy and vorticity effects have been incorporated within the solution procedure to more accurately analyze flows with strong shock waves. The modified code includes these effects while retaining the relative simplicity and cost efficiency of the TSD formulation. The paper presents detailed descriptions of the entropy and vorticity modifications along with calculated results and comparisons which assess the modified theory. These results are in good agreement with parallel Euler calculations and with experimental data. Therefore, the present method now provides the aeroelastician with an affordable capability to analyze relatively difficult transonic flows without having to solve the computationally more expensive Euler equations.

Batina, John T.↗