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NASA NTRS2011

Capability of the Gas Analysis and Testing Laboratory at the NASA Johnson Space Center

The Gas Analysis and Testing Laboratory is an integral part of the testing performed at the NASA Johnson Space Center. The Gas Analysis and Testing Laboratory is a high performance laboratory providing real time analytical instruments to support manned and unmanned testing. The lab utilizes precision gas chromatographs, gas analyzers and spectrophotometers to support the technology development programs within the NASA community. The Gas Analysis and Testing Laboratory works with a wide variety of customers and provides engineering support for user-specified applications in compressed gas, chemical analysis, general and research laboratory

Broerman, Craig↗

NASA NTRS2012

Capability of the Gas Analysis and Testing Laboratory at the NASA Johnson Space Center

Broerman, Craig↗

DOE OSTI2023

Wetting transition and fluid trapping in a microfluidic fracture

Immiscible fluid–fluid displacement in confined geometries is a fundamental process occurring in many natural phenomena and technological applications, from geological CO 2 sequestration to microfluidics. Due to the interactions between the fluids and the solid walls, fluid invasion undergoes a wetting transition from complete displacement at low displacement rates to leaving a film of the defending fluid on the confining surfaces at high displacement rates. While most real surfaces are rough, fundamental questions remain about the type of fluid–fluid displacement that can emerge in a confined, rough geometry. Here, we study immiscible displacement in a microfluidic device with a precisely controlled structured surface as an analogue for a rough fracture. We analyze the influence of the degree of surface roughness on the wetting transition and the formation of thin films of the defending liquid. We show experimentally, and rationalize theoretically, that roughness affects both the stability and dewetting dynamics of thin films, leading to distinct late-time morphologies of the undisplaced (trapped) fluid. Finally, we discuss the implications of our observations for geologic and technological applications.

42 ENGINEERING↗

NASA NTRS1985

A GPS measurement system for precise satellite tracking and geodesy

NASA is pursuing two key applications of differential positioning with the Global Positioning System (GPS): sub-decimeter tracking of earth satellites and few-centimeter determination of ground-fixed baselines. Key requirements of the two applications include the use of dual-frequency carrier phase data, multiple ground receivers to serve as reference points, simultaneous solution for use position and GPS orbits, and calibration of atmospheric delays using water vapor radiometers. Sub-decimeter tracking will be first demonstrated on the TOPEX oceanographic satellite to be launched in 1991. A GPS flight receiver together with at least six ground receivers will acquire delta range data from the GPS carriers for non-real-time analysis. Altitude accuracies of 5 to 10 cm are expected. For baseline measurements, efforts will be made to obtain precise differential pseudorange by resolving the cycle ambiguity in differential carrier phase. This could lead to accuracies of 2 or 3 cm over a few thousand kilometers. To achieve this, a high-performance receiver is being developed, along with improved calibration and data processing techniques. Demonstrations may begin in 1986.

Yunck, T. P.↗

DOE OSTI2022

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

An Application of a New Electromagnetic Sensor to Real-Time Monitoring of Fatigue Crack Growth in Thin Metal Plates

A major part of fracture mechanics is concerned with studying the initiation and propagation of fatigue cracks. This typically requires constant monitoring of crack growth during fatigue cycles which necessitates automation of the whole process. If the rate of crack growth can be determined the experimenter can vary externally controlled parameters such as load level, load cycle frequency and so on. Hence, knowledge of the precise location of the crack tip at any given time is very valuable. One technique currently available for measuring fatigue crack length is the DC potential drop method. The method, however, may be inaccurate if the direction of crack growth deviates considerably from what was assumed initially or the curvature of the crack becomes significant. Another approach is to digitize an optical image of the test specimen surface and then apply a pattern recognition technique to locate the crack tip, but this method is still under development. The present work is an initial study on applying eddy current-type probes to monitoring fatigue crack growth. The performance of two types of electromagnetic probes, a conventional eddy current probe and a newly developed self-nulling probe, was evaluated for the detection characteristics at and near the tips of fatigue cracks. The scan results show that the latter probe provides a very well defined local maximum in its output in the crack tip region suggesting the definite possibility of precisely locating the tip, while the former provides a somewhat ambiguous distribution of the sensor output in the same region. The paper is organized as follows: We start by reviewing the design and performance characteristics of the self-nulling probe and then describe the scan results which demonstrate the basic properties of the self-nulling probe. Next, we provide a brief description of the software developed for tracing a simulated crack and give a brief discussion of the main results of the test. The final section summarizes the major accomplishments of the present work and the elements of the future R&D needs.

Namkung, M.↗

DOE OSTI2022

Physics-based modeling and information-theoretic sensor and settings selection for tool wear detection in precision machining

Precision machining of metals is an energy intensive process with applications and impacts across the manufacturing industry. The energy efficiency, product yield, and maintenance of the precision machine require a digital twin that can assist with prognostics and health management. In this report a physics-based model is developed and validated against face milling data, and then used for the timely and precise inference of machining faults that cannot be measured directly. Computer numerical control (CNC) measurements of power and force are used through this physics-based machining model to predict deviations of the outputs of power consumption and cutting forces during normal operation. A model-based fault detection and isolation methodology is applied to determine the optimal (traditional and available) sensor suite and the test settings (admissible input values) that improve the inference of tool wear in face milling. The optimal sensor suite and input test settings are obtained by solving a mixed integer non-linear program that optimizes information-theoretic metrics relevant to the detection and isolation of tool wear from steady-state or transient machining measurements. Dynamic time warping and k—NN classification are then used to validate the robustness of the optimal design for fault detection test design, including the optimal sensor suite.

42 ENGINEERING↗

NASA NTRS1992

Precise Applications Of The Global Positioning System

Report represents overview of Global Positioning System (GPS). Emphasizes those aspects of theory, history, and status of GPS pertaining to potential utility for highly precise scientific measurements. Current and anticipated applications include measurements of crustal motions in seismically active regions of Earth, measurements of rate of rotation of Earth and orientation of poles, tracking of non-GPS spacecraft in orbit around Earth, surveying, measurements of radio-signal-propagation delays, determinations of coordinates of ground stations, and transfer of precise time signals worldwide.

Lichten, Stephen M.↗

NASA NTRS2005

Entry Abort Determination Using Non-Adaptive Neural Networks for Mars Precision Landers

The 2009 Mars Science Laboratory (MSL) will attempt the first precision landing on Mars using a modified version of the Apollo Earth entry guidance program. The guidance routine, Entry Terminal Point Controller (ETPC), commands the deployment of a supersonic parachute after converging the range to the landing target. For very dispersed cases, ETPC may not converge the range to the target and safely command parachute deployment within Mach number and dynamic pressure constraints. A full-lift up abort can save 85% of these failed trajectories while abandoning the precision landing objective. Though current MSL requirements do not call for an abort capability, an autonomous abort capability may be desired, for this mission or future Mars precision landers, to make the vehicle more robust. The application of artificial neural networks (NNs) as an abort determination technique was evaluated by personnel at the National Aeronautics and Space Administration (NASA) Johnson Space Center (JSC). In order to implement an abort, a failed trajectory needs to be recognized in real time. Abort determination is dependent upon several trajectory parameters whose relationships to vehicle survival are not well understood, and yet the lander must be trained to recognize unsafe situations. Artificial neural networks (NNs) provide a way to model these parameters and can provide MSL with the artificial intelligence necessary to independently declare an abort. Using the 2009 Mars Science Laboratory (MSL) mission as a case study, a non-adaptive NN was designed, trained and tested using Monte Carlo simulations of MSL descent and incorporated into ETPC. Neural network theory, the development history of the MSL NN, and initial testing with severe dust storm entry trajectory cases are discussed in Reference 1 and will not be repeated here. That analysis demonstrated that NNs are capable of recognizing failed descent trajectories and can significantly increase the survivability of MSL for very dispersed cases. NN testing was then broadened to evaluate fully dispersed entry trajectories. The NN correctly classified 99.7% of descent trajectories as abort or nonabort and reduced the probability of an unsafe parachute deployment by 83%. This second, broader testing phase is discussed in this paper.

Graybeal, Sarah R.↗

NASA NTRS2011

SpaceCube 2.0: An Advanced Hybrid Onboard Data Processor

The SpaceCube 2.0 is a compact, high performance, low-power onboard processing system that takes advantage of cutting-edge hybrid (CPU/FPGA/DSP) processing elements. The SpaceCube 2.0 design concept includes two commercial Virtex-5 field-programmable gate array (FPGA) parts protected by gradiation hardened by software" technology, and possesses exceptional size, weight, and power characteristics [5x5x7 in., 3.5 lb (approximately equal to 12.7 x 12.7 x 17.8 cm, 1.6 kg) 5-25 W, depending on the application fs required clock rate]. The two Virtex-5 FPGA parts are implemented in a unique back-toback configuration to maximize data transfer and computing performance. Draft computing power specifications for the SpaceCube 2.0 unit include four PowerPC 440s (1100 DMIPS each), 500+ DSP48Es (2x580 GMACS), 100+ LVDS high-speed serial I/Os (1.25 Gbps each), and 2x190 GFLOPS single-precision (65 GFLOPS double-precision) floating point performance. The SpaceCube 2.0 includes PROM memory for CPU boot, health and safety, and basic command and telemetry functionality; RAM memory for program execution; and FLASH/EEPROM memory to store algorithms and application code for the CPU, FPGA, and DSP processing elements. Program execution can be reconfigured in real time and algorithms can be updated, modified, and/or replaced at any point during the mission. Gigabit Ethernet, Spacewire, SATA and highspeed LVDS serial/parallel I/O channels are available for instrument/sensor data ingest, and mission-unique instrument interfaces can be accommodated using a compact PCI (cPCI) expansion card interface. The SpaceCube 2.0 can be utilized in NASA Earth Science, Helio/Astrophysics and Exploration missions, and Department of Defense satellites for onboard data processing. It can also be used in commercial communication and mapping satellites.

Lin, Michael↗

NASA NTRS2006

Nano Sensors for Gas Detection in Space and Ground Support Applications

Personnel living in a space environment as well as technicians and engineers preparing spacecraft for launch can potentially be exposed to small amounts of hazardous gases. It is therefore important to be able to detect, identify and quantify the presence of a gas especially when its presence could lead to a fatal situation. The use of small and sensitive sensors can allow for the placement of these devices over a large area, thus allowing for a more precise and timely determination of a gas leak. ASRC Aerospace and its research partners are developing nano sensors for detection of various gases, including but not limited to: H2, NH3, N2O4, hydrazine and others. Initial laboratory testing has demonstrated the capability to detect the gases in concentrations lower than parts per million. Testing and development is continuing to improve the response and recovery times, to increase the sensitivity of the devices. Different coatings and electrodes are currently being evaluated to determine the optimum configuration of a variety of gases. The small footprint of the Nano sensors allows for several devices, each responsive in a different way to different gases, to be placed into a single substrate. Multiple devices embedded into a single substrate results in increased reliability and in a decrease for periodic calibrations. The use of different coatings will result in a small electronic nose capable of distinguishing between different gases. A multi-channel signal conditioner amplifier built on a small multi chip module is used to process the output of the sensors and to deliver a signal that can be remotely monitored. All the data is digitized and transmitted over the same cable pair used to power the amplifier. Multiple outputs can be connected to a single cable pair in order to minimize the added weight and expense associated with cabling in a spacecraft. The sensors will be run through a qualification process to evaluate their suitability for space applications we are expecting to have fully functional sensors available for initial field deployment and testing by the end of the year 2006.

Medelius, Pedro J.↗

NASA NTRS2003

Precision Agriculture: Changing the Face of Farming

To a large extent our work has grown out of the remote sensing technology and conceptual framework developed by geologists. For example the drive to look at the physics of reflectance and atmospheric corrections is rooted in work done in the early 1980s by the United States Geological Survey and NASA. Our work on emissivity and thermal behavior of plants pulls on research done using the Thermal Infrared Multispectral Scanner, an instrument originally conceived for geologic applications. Even our ability to geometrically map the airborne imagery onto the globe was explicitly developed because of need to map sediment flow patterns in along the coast of Louisiana. Growing from this base we have learned much in the last few years and believe our integration of geologic remote sensing with the other fields of expertise was a wise investment. Clearly none of the specialties alone could develop, let alone test, the basic approach we are now finding so powerful. This is the path that will ultimately give the information needed by the farmer. We also recognize how small a portion of the total problem has been solved. Having developed the basic logic, built proto-type tools and performed initial tests everything else remains to be done. And problems, scientific and practical, are everywhere. We have not established sensitivities. We have not robustly segregated the contributions of crop residue, soil moisture, shadows, plant and soil to the energy leaving the surface. What we do is extremely expensive and difficult. It is experimental in methodology and uses research oriented tools. We are constantly alive to the practicality of moving our results into commercial applications. We know another airborne instrument will have to be available. Atmospheric parameters will have to be measured automatically. The software will have to be re-written for speed. At times the list of problems seems endless. But the potential is also enormous. Agriculture is a huge portion of our economy. Just a one percent increase in efficiency is a $2,000,000 change. We all depend on farmers, literally for the bread we eat. No other activity of man even has an impact on the land that farming has. If application of precision agriculture can nelp farmers manage their land better, we all may benefit.

Rickman, D.↗

DOE OSTI2025

Controlled Synthesis of SnO 2 Nanocrystals with Tunable Band Gaps

Tin(IV) oxide nanocrystals (SnO 2 NCs) have significant potential in various applications, with their performance closely related to their band gap. The band gap is influenced by the size and shape of the NCs, which can be precisely controlled by adjusting reaction conditions. In this study, we present deliberately designed synthesis protocols to produce high-quality SnO 2 NCs with tunable band gaps using different methods. Key factors affecting the synthesis include control of the oxidizing agent, reaction temperature, solvent selection, and reaction time optimization. The resulting NCs were characterized by using TEM, XRD, XPS, and optical spectroscopy. Notably, SnO 2 NCs synthesized by controlling the oxidizing agent (air injection) in a hot organic solution were smaller in size and exhibited abundant oxygen vacancies. In contrast, extending the reaction time or using ethanol as a solvent in hydrothermal systems facilitated larger spherical or rod-like SnO 2 NCs with fewer oxygen vacancies. Further analysis of the band gap and valence band maximum energy revealed that the abundant vacancies in SnO 2 NCs synthesized with the air-controlled hot organic solution method resulted in a narrower band gap and an upshifted valence band. These synthetic strategies illustrate the potential for deliberately designing SnO 2 NCs with optimized electronic structures for various applications.

band gap↗

NASA NTRS1994

GPS common-view time transfer

The introduction of the GPS common-view method at the beginning of the 1980's led to an immediate and dramatic improvement of international time comparisons. Since then, further progress brought the precision and accuracy of GPS common-view intercontinental time transfer from tens of nanoseconds to a few nanoseconds, even with SA activated. This achievement was made possible by the use of the following: ultra-precise ground antenna coordinates, post-processed precise ephemerides, double-frequency measurements of ionosphere, and appropriate international coordination and standardization. This paper reviews developments and applications of the GPS common-view method during the last decade and comments on possible future improvements whose objective is to attain sub-nanosecond uncertainty.

Lewandowski, W.↗

NASA NTRS2009

Pulsed Operation of an Ion Accelerator

Electronic circuitry has been devised to enable operation of an ion accelerator in either a continuous mode or a highpeak power, low-average-power pulsed mode. In the original intended application, the ion accelerator would be used as a spacecraft thruster and the pulse mode would serve to generate small increments of impulse for precise control of trajectories and attitude. The present electronic drive circuitry generates the extraction voltage in pulses. Pulse-width modulation can affect rapid, fine control of time-averaged impulse or ion flux down to a minimum level much lower than that achievable in continuous operation.

Wirz, Richard↗

DOE OSTI2023

Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions

Alchemical relative binding free energy calculations have recently found important applications in drug optimization. A series of congeneric compounds are generated from a preidentified lead compound, and their relative binding affinities to a protein are assessed in order to optimize candidate drugs. While methods based on equilibrium thermodynamics have been extensively studied, an approach based on nonequilibrium methods has recently been reported together with claims of its superiority. However, these claims pay insufficient attention to the basis and reliability of both methods. Here we report a comparative study of the two approaches across a large data set, comprising more than 500 ligand transformations spanning in excess of 300 ligands binding to a set of 14 diverse protein targets. Ensemble methods are essential to quantify the uncertainty in these calculations, not only for the reasons already established in the equilibrium approach but also to ensure that the nonequilibrium calculations reside within their domain of validity. If and only if ensemble methods are applied, we find that the nonequilibrium method can achieve accuracy and precision comparable to those of the equilibrium approach. Compared to the equilibrium method, the nonequilibrium approach can reduce computational costs but introduces higher computational complexity and longer wall clock times. There are, however, cases where the standard length of a nonequilibrium transition is not sufficient, necessitating a complete rerun of the entire set of transitions. This significantly increases the computational cost and proves to be highly inconvenient during large-scale applications. Our findings provide a key set of recommendations that should be adopted for the reliable implementation of nonequilibrium approaches to relative binding free energy calculations in ligand-protein systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Enabling event-by-event precision in γ-ray cascades for neutron-induced reactions

Neutron-induced γ-ray spectra provide key inputs for modern active interrogation applications. A precise modeling of the nuclear reaction and subsequent emission of γ rays is challenging and often impossible due to limitations on evaluated data file formats and nuclear transport simulation codes. We present a framework that addresses these challenges by combining experimental data and reaction-model calculation outputs into an extended candidate version of the Generalized Nuclear Data Structure (GNDS) file, the successor format for the legacy Evaluated Nuclear Data File (ENDF-6). This proposed GNDS hierarchical format contains all the necessary ingredients for inline γ-ray cascade reproduction with event-by-event precision, including continuum–continuum and continuum–discrete transitions following neutron-capture and inelastic neutron scattering reactions. Cascade-event generation based on our approach demonstrates improved energy conservation on an event-by-event basis and permits the use of γ-γ coincidences in applications. This work offers, for the first time, a method to generate neutron-capture and inelastic neutron-scattering γ-ray cascades where energy conservation, correlations, and experimental primaries are fully accounted for.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Nuclear Physics Exascale Requirements Review: An Office of Science Review sponsored jointly by Advanced Scientific Computing Research and Nuclear Physics, June 15 - 17, 2016, Gaithersburg, Maryland

Imagine being able to predict — with unprecedented accuracy and precision — the structure of the proton and neutron, and the forces between them, directly from the dynamics of quarks and gluons, and then using this information in calculations of the structure and reactions of atomic nuclei and of the properties of dense neutron stars (NSs). Also imagine discovering new and exotic states of matter, and new laws of nature, by being able to collect more experimental data than we dream possible today, analyzing it in real time to feed back into an experiment, and curating the data with full tracking capabilities and with fully distributed data mining capabilities. Making this vision a reality would improve basic scientific understanding, enabling us to precisely calculate, for example, the spectrum of gravity waves emitted during NS coalescence, and would have important societal applications in nuclear energy research, stockpile stewardship, and other areas. This review presents the components and characteristics of the exascale computing ecosystems necessary to realize this vision.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗