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At least 847 records · Page 47

Validating a large geophysical data set: Experiences with satellite-derived cloud parameters

We are validating the global cloud parameters derived from the satellite-borne HIRS2 and MSU atmospheric sounding instrument measurements, and are using the analysis of these data as one prototype for studying large geophysical data sets in general. The HIRS2/MSU data set contains a total of 40 physical parameters, filling 25 MB/day; raw HIRS2/MSU data are available for a period exceeding 10 years. Validation involves developing a quantitative sense for the physical meaning of the derived parameters over the range of environmental conditions sampled. This is accomplished by comparing the spatial and temporal distributions of the derived quantities with similar measurements made using other techniques, and with model results. The data handling needed for this work is possible only with the help of a suite of interactive graphical and numerical analysis tools. Level 3 (gridded) data is the common form in which large data sets of this type are distributed for scientific analysis. We find that Level 3 data is inadequate for the data comparisons required for validation. Level 2 data (individual measurements in geophysical units) is needed. A sampling problem arises when individual measurements, which are not uniformly distributed in space or time, are used for the comparisons. Standard 'interpolation' methods involve fitting the measurements for each data set to surfaces, which are then compared. We are experimenting with formal criteria for selecting geographical regions, based upon the spatial frequency and variability of measurements, that allow us to quantify the uncertainty due to sampling. As part of this project, we are also dealing with ways to keep track of constraints placed on the output by assumptions made in the computer code. The need to work with Level 2 data introduces a number of other data handling issues, such as accessing data files across machine types, meeting large data storage requirements, accessing other validated data sets, processing speed and throughput for interactive graphical work, and problems relating to graphical interfaces.

Kahn, Ralph↗

Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates

Single crystals of four novel uranyl selenate and selenite-selenate oxysalts with protonated ethylamine molecules, (C{sub 2}H{sub 8}N){sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}O) (I), (C{sub 2}H{sub 8}N){sub 3}[(UO{sub 2})(SeO{sub 4}){sub 2}(HSeO{sub 4})] (II), (C{sub 2}H{sub 8}N)[(UO{sub 2})(SeO{sub 4})(HSeO{sub 3})] (III), and (C{sub 2}H{sub 8}N)(H{sub 3}O)[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)] (IV) have been prepared by isothermal evaporation from aqueous solutions. Uranyl-containing 1D and 2D units have been investigated using topological approach and information-based complexity measurements that demonstrate the evolution of structural units and the increase of topological complexity with the decrease of H{sub 2}O content. - Graphical abstract: Single crystals of four novel uranyl selenate and selenite-selenate oxysalts with protonated ethylamine molecules have been prepared by isothermal evaporation from aqueous solutions. Structural analysis and information-based topological complexity calculations points to the possible sequence of crystalline phases formation, showing both topological and structural branches of evolution. - Highlights: • Single crystals of four novel uranyl oxysalts were prepared by evaporation method. • The graph theory was used for investigation of topologies of structural units. • Dehydration processes drives the evolution of topological complexity of 1D and 2D structural units.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of an Open Global Oil and Gas Infrastructure Inventory and Geodatabase

This submission contains a technical report describing the development process and visual graphics for the Global Oil and Gas Infrastructure database. Access the GOGI database using the following link: https://edx.netl.doe.gov/dataset/global-oil-gas-features-database There is a web-mapping tool that allows you to visualize and interact with this data also available here: https://edxspatial.arcgis.netl.doe.gov/maps/edxspatial-gogi-index.html Acknowledgement: This work was performed under a CRADA between NETL and EDF, and was funded under the Climate and Clean Air Coalition (CCAC) Oil and Gas Methane Science Studies. The studies are managed by United Nations Environment in collaboration with the Office of the Chief Scientist, Steven Hamburg of the Environmental Defense Fund. Funding was provided by the Environmental Defense Fund, OGCI Companies (Shell, BP, ENI, Petrobras, Repsol, Total, Equinor, CNPC, Saudi Aramco, Exxon, Oxy, Chevron, Pemex) and CCAC.

GOGI↗

Pluto and Charon: Surface Colors and Compositions - A Hypothesis

The surface of Pluto displays an array of colors ranging from yellow to red to brown, while the surface of Charon is largely gray with a north polar zone of red color similar to regions on Pluto. Pluto's surface shows layers of intensely colored material in tilted and transported blocks, and fractured geo-graphical units. This arrangement suggests episodes of formation or deposition of that material interspersed with episodes of emplacement of ices having little or no color. The ices identified on the surfaces of these two bodies (N2, CH4, CO, C2H6, H2O on Pluto, and H2O and NH3 on Charon) are colorless, as are nearly all ices in a powdery state. The colors on Pluto probably arise from the in situ formation of a macro-molecular carbonaceous material generated by energetic processing of the ices on the surface. Laboratory experiments producing refractory tholins particularly relevant to Pluto explored the chemistry of both UV and low-energy electron bombardment of a mix of Pluto ices (N2:CH4:CO = 100:1:1). We can term this Pluto ice tholin PIT. Water ice in the crystalline state characterizes Charon's surface, and while most of Charon's surface is neutral in color, with geometric albedo approximately 0.38, the polar zone and a light cover of fainter but similar reddish color over some surface regions suggest a common origin with the colored material on Pluto. NH3 or NH3 x nH2O was identified from disk-integrated Earth-based spectra, and a few concentrated NH3 exposures have been found in the New Horizons spectral images.

Pluto↗

Real-time data system: Incorporating new technology in mission critical environments

If the Space Station Freedom is to remain viable over its 30-year life span, it must be able to incorporate new information systems technologies. These technologies are necessary to enhance mission effectiveness and to enable new NASA missions, such as supporting the Lunar-Mars Initiative. Hi-definition television (HDTV), neural nets, model-based reasoning, advanced languages, CPU designs, and computer networking standards are areas which have been forecasted to make major strides in the next 30 years. A major challenge to NASA is to bring these technologies online without compromising mission safety. In past programs, NASA managers have been understandably reluctant to rely on new technologies for mission critical activities until they are proven in noncritical areas. NASA must develop strategies to allow inflight confidence building and migration of technologies into the trusted tool base. NASA has successfully met this challenge and developed a winning strategy in the Space Shuttle Mission Control Center. This facility, which is clearly among NASA's most critical, is based on 1970's mainframe architecture. Changes to the mainframe are very expensive due to the extensive testing required to prove that changes do not have unanticipated impact on critical processes. Systematic improvement efforts in this facility have been delayed due to this 'risk to change.' In the real-time data system (RTDS) we have introduced a network of engineering computer workstations which run in parallel to the mainframe system. These workstations are located next to flight controller operating positions in mission control and, in some cases, the display units are mounted in the traditional mainframe consoles. This system incorporates several major improvements over the mainframe consoles including automated fault detection by real-time expert systems and color graphic animated schematics of subsystems driven by real-time telemetry. The workstations have the capability of recording telemetry data and providing 'instant replay' for flight controllers. RTDS also provides unique graphics animated by real-time telemetry such as workstation emulation of the shuttle's flight instruments and displays of the remote manipulator system (RMS) position. These systems have been used successfully as prime operational tools since STS-26 and have supported seven shuttle missions.

Muratore, John F.↗

Investigation on phase transformation mechanism of zeolite NaY under alkaline hydrothermal conditions

The phase transformation mechanism of zeolite NaY under alkaline hydrothermal conditions was investigated by UV Raman spectroscopy, X-ray diffraction, X-ray fluorescence and scanning electron microscopy techniques. The results revealed that the products and transformation rate are dependent on the alkalinities. All of the starting and resulting zeolites are constructed with the 4-ring and 6-ring secondary building units. The products have lower Si/Al ratio, higher framework density and smaller pore size, which are more stable under alkaline hydrothermal condition. During the phase transformation the fragments of faujasite are formed, then the fragments combine to form different zeolites depending on basicity. Zeolite NaY crystals are consumed as the reservoir for the transformation products during the recrystallization process. For the first time, a 4-membered ring intermediate was found at the early stage of the recrystallization process. A cooperative interaction of liquid and solid phases is required for inducing the phase transformation. - Graphical Abstract: Phase transformation of NaY zeolite under alkaline hydrothermal condition is achieved by the cooperative interaction of the liquid and solid phases. A 4-membered ring species is an intermediate for recrystallization process. Highlights: • The products and transformation rate are dependent on the alkalinity. • A 4-membered ring species is an intermediate for recrystallization process. • A cooperative interaction of liquid and solid phases is required.

36 MATERIALS SCIENCE↗

Evaluation of telerobotic systems using an instrumented task board

An instrumented task board was developed at NASA Marshall Space Flight Center (MSFC). An overview of the task board design, and current development status is presented. The task board was originally developed to evaluate operator performance using the Protoflight Manipulator Arm (PFMA) at MSFC. The task board evaluates tasks for Orbital Replacement Unit (ORU), fluid connect and transfers, electrical connect/disconnect, bolt running, and other basic tasks. The instrumented task board measures the 3-D forces and torques placed on the board, determines the robot arm's 3-D position relative to the task board using IR optics, and provides the information in real-time. The PFMA joint input signals can also be measured from a breakout box to evaluate the sensitivity or response of the arm operation to control commands. The data processing system provides the capability for post processing of time-history graphics and plots of the PFMA positions, the operator's actions, and the PFMA servo reactions in addition to real-time force/torque data presentation. The instrumented task board's most promising use is developing benchmarks for NASA centers for comparison and evaluation of telerobotic performance.

Carroll, John D.↗

User's guide: Programs for processing altimeter data over inland seas

The programs described were developed to process GEODYN-formatted satellite altimeter data, and to apply the processed results to predict geoid undulations and gravity anomalies of inland sea areas. These programs are written in standard FORTRAN 77 and are designed to run on the NSESCC IBM 3081(MVS) computer. Because of the experimental nature of these programs they are tailored to the geographical area analyzed. The attached program listings are customized for processing the altimeter data over the Black Sea. Users interested in the Caspian Sea data are expected to modify each program, although the required modifications are generally minor. Program control parameters are defined in the programs via PARAMETER statements and/or DATA statements. Other auxiliary parameters, such as labels, are hard-wired into the programs. Large data files are read in or written out through different input or output units. The program listings of these programs are accompanied by sample IBM job control language (JCL) images. Familiarity with IBM JCL and the TEMPLATE graphic package is assumed.

Au, A. Y.↗

Fuzzification of Electromagnetic Interference Patterns Onboard Commercial Airliners Due to Wireless Technology

The use of portable wireless technology has increased dramatically over the past few years. Over the years however, numerous reports have cited portable electronic devices (PEDs) as a possible cause of electromagnetic interference (EMI) to aircraft navigation and communication radio systems. PEDs may act as transmitters and their signals may be detected by the various radio receiver antennas installed on the aircraft. Measurement of the radiated field coupling between passenger cabin locations and aircraft communication and navigation receivers, via their antennas is defined herein as interference path loss (IPL). Personnel from NASA Langley Research Center, Eagles Wings Inc., and United Airlines performed extensive IPL measurements on several Boeing 737 airplanes. In previous work, the IPL data collected was graphically plotted and presented using MATLAB. This paper provides an introductory result of modeling EMI patterns using Fuzzy Logic, using the graphical analysis of the IPL data summarized. The application of fuzzy logic seeks to provide a means of estimating IPL at various locations within an airplane passenger cabin using simple modeling parameters. Fuzzy logic methods may provide a means to assess IPL characteristics of aircraft that have not been subject to expensive measurement or modeling processes and may also be useful for estimating the merit of aircraft design changes intended to minimize the potential for EMI.

Jafri, Madiha↗

Image reproduction with interactive graphics

Software application or development in optical image digital data processing requires a fast, good quality, yet inexpensive hard copy of processed images. To achieve this, a Cambo camera with an f 2.8/150-mm Xenotar lens in a Copal shutter having a Graflok back for 4 x 5 Polaroid type 57 pack-film has been interfaced to an existing Adage, AGT-30/Electro-Mechanical Research, EMR 6050 graphic computer system. Time-lapse photography in conjunction with a log to linear voltage transformation has resulted in an interactive system capable of producing a hard copy in 54 sec. The interactive aspect of the system lies in a Tektronix 4002 graphic computer terminal and its associated hard copy unit.

Buckner, J. D.↗

235-F GoldSim Fate and Transport Model: Uncertainty Quantification

Building 235-F was configured with two missions in mind: Actinide Billet Line (ABL) and the fabrication of Pu-238 oxide for space program applications. ABL produced Np-237 billets for use in SRS reactors, whereas the design process, fabrication, and examination of Pu-238 oxide powder occurred within the following areas, respectively: Plutonium Experimental Facility (PEF), Plutonium Fuel Form (PuFF), and Old Metallography Lab (OML). By 1990 production ceased and by 2006 de-inventory occurred; however, assays have shown significant holdup remains within ABL and PuFF. As a result, 235-F is a Category 2 nuclear facility, with plans to undergo deactivation and decommission (D and D) via In-Situ Disposal (ISD). The purpose of this project is to ensure United States Environmental Protection Agency (USEPA) groundwater radiation maximum contaminant level (MCL) and dosage standards are met during the D and D of 235-F by quantifying uncertainty through probabilistic modeling and evaluation of various ISD alternatives. GoldSim is a dynamic modeling software package with a graphical, object-oriented interface capable of capturing the influence of complex system input variability on probabilistic system outcomes. A GoldSim stochastic fate and transport model for 235-F was developed and matched with a PORFLOW deterministic model to simulate probabilistic release and flow of radionuclides from ABL and PuFF into the vadose zone, the Upper Three Runs (UTR) Aquifer, and UTR Creek. The GoldSim model was used to probabilistically evaluate four ISD scenarios against USEPA groundwater radiation MCLs and dosage standards. The deterministic 235-F GoldSim fate and transport model continues to be refined to match the results of the PORFLOW deterministic model to ensure the model accurately represents radionuclide movement through the groundwater system. The stochastic variables that are utilized within the GoldSim model are founded on the most current data; a conservative perspective is taken where needed. Alignment with the PORFLOW deterministic model, coupled with input stochastic variability, allows the probabilistic 235-F GoldSim model to capture the conservative breadth of possible outcomes for radionuclide fate within this particular system. This ensures that the USEPA MCLs and dosage limits hold even in the worst case scenarios.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A quantitative comparison of the fingerprint of twinned microstructures through surface and three-dimensional techniques

Assessing the fingerprint of a material’s microstructure is key for supporting materials design. With the emergence of a wide range of 3D characterization techniques, it is critical to understand the main differences in fingerprints reconstructed from 2D and 3D datasets. To this end, we introduce a graph-based microstructure reconstruction framework that enables structural comparisons of twin domain networks in high purity Ti using 3D and 2D electron backscatter diffraction. Insights into the structure of the twin networks are facilitated by combining statistical analysis of twin crystallography with visual and graphical analysis of the novel graph abstractions of the twins. We demonstrate that compared to 3D reconstructions, conventional 2D views of twinning miss key aspects of the microstructure including the high interconnectivity of domains into networks that span the full reconstruction volume. The reduced cross-grain and in-grain twin connectivity typically observed in 2D has notable implications on our understanding of how twinning mediates the plastic response of microstructures and how twin networks evolve. It is thus clear that 3D characterization is critical for accurately inferring both twin network morphologies as well as the key unit processes facilitating network formation.

36 MATERIALS SCIENCE↗

SolVap_StarTer (Solvent Evaporation Graphical User Interface) [SWR-26-029]

SolVap_StarTer is an open-source solvent evaporation GUI. The software combines previously published (peer-reviewed scientific journals) evaporation and crystallization physics into an easy-to-use graphical interface. The software will allow the user to specify a coating composition and drying environment, and then predict the evolution of the film as it dries. Potential applications include tracking the change in multi-solvent composition and solute concentration in solution-processed perovskites films, predicting the point of crystallization, and calculating equivalent processing parameters for transferring a process between different coating and drying methods. Github repo: https://github.com/NatLabRockies/SolVap Streamlit app: https://solvap.streamlit.app/

Starger, Jesse [National Laboratory of the Rockies↗

Graphic Three-Axes Presentation of Residual Gas Analyzer Data

Residual gas analyzers (RGA) are commonly used to measure the composition of residual gases in thermal-vacuum test chambers. Measurements from RGA's are often used to identify and quantify outgassing contaminants from a test article during thermal-vacuum testing. RGA data is typically displayed as snapshots in time, showing instantaneous concentrations of ions from ionized residual gas molecules at different atomic masses. This ion concentration information can be interpreted to be representative of the composition of the residual gas in the chamber at the instant of analysis. Typically, test personnel are most interested in tracking the time history of changes in the composition of chamber residual gas to determine the relative cleanliness and the clean-up rate of the test article under vacuum. However, displays of instantaneous RGA data cannot provide test personnel with the preferred time history information. In order to gain an understanding of gas composition trends, a series of plots of individual data snapshots must be analyzed. This analysis is cumbersome and still does not provide a very satisfactory view of residual gas composition trends. A method was devised by the authors to present RCA data in a three-axis format, plotting Atomic Mass Unit (AMU), the Ionization Signal Response (ISR) as amps/torr as a function of AMU, and Time, to provide a clear graphic visualization of trends of changes in ISR with respect to time and AMU (representative of residual gas composition). This graphic visualization method provides a valuable analytical tool to interpret test article outgassing rates during thermal vacuum tests. Raw RGA data was extracted from a series of delimited ASCII files and then converted to a data array in a spreadsheet. Consequently, using the 3-D plotting functionality provided by the spreadsheet program, 3-D plots were produced. After devising the data format conversion process, the authors began developing a program to provide real-time 3-D plotting of RGA data. The intent of this program is to automate the RGA data acquisition process and to generate up-to-the-minute time history 3-D displays of stored RGA data (development of this program was not complete at the time of this writing). This paper provides a brief description of the data format conversion process and presents results from a recent test to illustrate the usefulness of this 3-D RGA data plotting technique.

Johnson, Kenneth R.↗

Pairwise Sequence Alignment Library

Vector extensions, such as SSE, have been part of the x86 CPU since the 1990s, with applications in graphics, signal processing, and scientific applications. Although many algorithms and applications can naturally benefit from automatic vectorization techniques, there are still many that are difficult to vectorize due to their dependence on irregular data structures, dense branch operations, or data dependencies. Sequence alignment, one of the most widely used operations in bioinformatics workflows, has a computational footprint that features complex data dependencies. The trend of widening vector registers adversely affects the state-of-the-art sequence alignment algorithm based on striped data layouts. Therefore, a novel SIMD implementation of a parallel scan-based sequence alignment algorithm that can better exploit wider SIMD units was implemented as part of the Parallel Sequence Alignment Library (parasail). Parasail features: Reference implementations of all known vectorized sequence alignment approaches. Implementations of Smith Waterman (SW), semi-global (SG), and Needleman Wunsch (NW) sequence alignment algorithms. Implementations across all modern CPU instruction sets including AVX2 and KNC. Language interfaces for C/C++ and Python.

Jeff Daily, PNNL↗

Pairwise Sequence Alignment Library

Vector extensions, such as SSE, have been part of the x86 CPU since the 1990s, with applications in graphics, signal processing, and scientific applications. Although many algorithms and applications can naturally benefit from automatic vectorization techniques, there are still many that are difficult to vectorize due to their dependence on irregular data structures, dense branch operations, or data dependencies. Sequence alignment, one of the most widely used operations in bioinformatics workflows, has a computational footprint that features complex data dependencies. The trend of widening vector registers adversely affects the state-of-the-art sequence alignment algorithm based on striped data layouts. Therefore, a novel SIMD implementation of a parallel scan-based sequence alignment algorithm that can better exploit wider SIMD units was implemented as part of the Parallel Sequence Alignment Library (parasail). Parasail features: Reference implementations of all known vectorized sequence alignment approaches. Implementations of Smith Waterman (SW), semi-global (SG), and Needleman Wunsch (NW) sequence alignment algorithms. Implementations across all modern CPU instruction sets including AVX2 and KNC. Language interfaces for C/C++ and Python.

Jeff Daily, PNNL↗

Speed Optimizations for Physics Ray Trace Algorithms

Ray tracing is a process used commonly in computer graphics and in physics to track light photons and particles, respectively. Much research was found on improving execution times for the computer graphics applications; however, in the short time frame of this literary review, almost no research was found on improving the execution times for the physics applications that were relevant to this problem. Two ray trace algorithms, a STL raytrace and a conebeam raytrace, were optimized using OpenMP and CUDA.

97 MATHEMATICS AND COMPUTING↗

Cotton fibers nano-TiO{sub 2} composites prepared by as-assembly process and the photocatalytic activities

Graphical abstract: Display Omitted Highlights: ► TiO{sub 2} nanoparticles self-assemble process under the assistant of carboxylic group. ► The carboxylic group was introduced by displacement reaction. ► The loading amount of nano-TiO{sub 2} was depended on the displacement degree of C-6-OH. ► UV–Vis experiments showed these fibers had efficient photocatalysis. ► The degradation reaction Rhodamine 6G under UV light obeys zero-order rate law. -- Abstract: This paper describes photocatalytic cotton fibers produced by a TiO{sub 2} nanoparticle self-assembly process with the assistance of carboxylic groups. The carboxylic group was introduced by a displacement reaction, the molecular structure of the glucose unit was studied by utilizing solid {sup 13}C NMR. The appearance of the prepared fibers was observed by scanning electron microscopy, it was found that nano-TiO{sub 2} coated uniformly on the fiber surface. The loading amount of nano-TiO{sub 2} was depended on the displacement degree of C-6-OH. UV–Vis experiments showed these coated fibers undergo photocatalysis efficiently. The degradation reaction of Rhodamine 6G under UV light obeys the zero-order rate law.

36 MATERIALS SCIENCE↗