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DOE OSTI2021

Center for Gas Separations (CGS)

The total energy consumption in the U.S. has been rising steadily for decades, and it currently amounts to ~98,000 TBtu/yr, with approximately 30% of this total attributable to the industrial sector. Reasonable estimates indicate that 45–55% of total industry energy consumption derives from chemical separations, and for example, over 120 TBtu/yr alone is used in carrying out olefin/paraffin separations via energy-intensive cryogenic distillation. Therefore, the pursuit of new, even radically different approaches to some of the most energy-intensive industrial separations processes is an imperative scientific pursuit for reducing energy consumption toward a more sustainable future. Adsorbent and membrane-based separations can require a fraction of the energy needed for distillation methods, and as such are considered promising solutions for balancing increasing energy demand in the U.S. with the need for a massive reduction in energy consumption. Although considerable research effort has been devoted to the design of materials capable of carrying out various gas separations, usually operating through size-selective, chemisorptive, or physisorptive mechanisms, it remains a great challenge to design materials that function adequately for real-world applications. Indeed, the chemical and physical differences between molecules in gas mixtures of interest are often small, and therefore it is necessary, through the use of nanoscience and synthetic chemistry, to engineer unprecedented molecular-level control in adsorbate–adsorbent interactions. The overarching mission of the Center for Gas Separations (CGS) was to discover fundamental innovations that have the potential to dramatically reduce the energy associated with critical gas separations. In particular, the CGS developed novel synthetic routes, guided by molecular chemistry principles, as well as advanced characterization and computational methods, that have enabled the discovery of new materials and membranes tailor-made to exhibit exceptional performance for a range of gas separations processes, as required in the clean use of fossil fuels and in reducing CO 2 emissions from industry. A challenge of this magnitude required the collaboration and synergy of a large team of researchers with expertise in materials synthesis, characterization, and computations. During the 11-year project period, the CGS created a range of new materials within the family of highly-tunable, porous solids known as metal–organic frameworks (MOFs). These new frameworks demonstrate novel mechanisms for key industrial gas separations, including revolutionary new cooperative adsorption processes that enable low-energy CO 2 and CO capture, and are capable of efficiently separating olefins from paraffins, O 2 from air, and the shape-selective separation of alkane isomers. In addition, the CGS developed new strategies for incorporating these materials into composite membranes toward highly efficient and selective membrane-based separations. As a testament to the success of the CGS, two start-up companies, Mosaic Materials,4 Inc. and Flux Technology, Inc., grew out of these research efforts, and these companies are seeking to commercialize MOF and composite membranes materials for key separations in industry, including large-scale CO 2 capture and hydrocarbon separations, respectively. Another company, framergy, Inc., licensed IP resulting from CGS research toward the commercialization of adsorbents for various energy-relevant applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Coherent elastic neutrino-nucleus scattering: Terrestrial and astrophysical applications

Coherent elastic neutrino-nucleus scattering (CE$\nu$NS) is a process in which neutrinos scatter on a nucleus which acts as a single particle. Though the total cross section is large by neutrino standards, CE$\nu$NS has long proven difficult to detect, since the deposited energy into the nucleus is $\sim$ keV. In 2017, the COHERENT collaboration announced the detection of CE$\nu$NS using a stopped-pion source with CsI detectors, followed up the detection of CE$\nu$NS using an Ar target. The detection of CE$\nu$NS has spawned a flurry of activities in high-energy physics, inspiring new constraints on beyond the Standard Model (BSM) physics, and new experimental methods. The CE$\nu$NS process has important implications for not only high-energy physics, but also astrophysics, nuclear physics, and beyond. This whitepaper discusses the scientific importance of CE$\nu$NS, highlighting how present experiments such as COHERENT are informing theory, and also how future experiments will provide a wealth of information across the aforementioned fields of physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

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.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Accelerating Biomimetic Solar - Energy Harvesting: Mapping the Interaction Landscape of Plasmonic-Excitonic Hybrid Nanosystems (Final Report)

In general, excitonic and plasmonic nanoscale materials in close proximity show high potential for significant breakthroughs in energy related materials research. The interactions between these two kinds of materials result in coupled optical transitions (plexcitons), distinct from those of both the individual exciton and plasmon as well as from those of the sum of their constituents (synergistic effects). By linking together materials-research and physical-research approaches, this project contributes to a concerted approach on nanomaterials energy research. The project’s overall goal is to accelerate the development of well-defined plexcitonic model systems consisting of carefully engineered plasmonic and excitonic nanomaterial— essential for both gaining a fundamental understanding of plexcitonic nanomaterials and the development of novel design principles for biomimetic solar energy harvesting. During the 3-year project period and the terminal renewal with limited support for a 12-month period, we successfully synthesized and characterized (1) a robust excitonic nanomaterial and (2) a library of plasmonic nanoparticles as well as developed (3) a microfluidic platform for homogenous nanosynthesis as summarized below: (1) Robust Excitonic Nanomaterial. Supramolecular assemblies are Nature’s most successful material system for solar energy harvesting. However, photovoltaic devices based on artificial supramolecular assemblies continue to be stymied by disappointing efficiencies and poor stability. The conceptual failure may lie in current solar cell architectures, which rely on solidifying supramolecular assemblies as an ensemble into a solid matrix, neglecting the intrinsic fragility of the assemblies’ internal structure, thus disrupting or even destroying their delicate optoelectronic properties, that is, delicate Frenkel excitonic properties. Supramolecular assemblies may finally serve as usable light harvesting material systems for solar energy conversion technologies, only if they meet the following criteria: (a) Stability, that is, the fragile structure including its delicate Frenkel excitonic character needs to be stable, (b) Robustness, that is, resistant against elevated and fluctuating temperatures, and (c) Viability for device integration, that is, capable of being immobilized onto solid substrates. Here, by developing a nanocomposite via a tunable, cage-like scaffold design, we successfully provided stable supramolecular nanocomposites, that inhabit robust Frenkel excitons despite harming environmental conditions such as extreme heat stress. (2) Library of Plasmonic Nanoparticles. Naturally, current models describing plasmonic hybrid quantum states—plasmonic hybridizations—parallel those developed for molecular orbitals, equating individual plasmonic nanostructures with “atoms” and the plasmonic nanoassemblies with “molecules.” In analogy to organic synthesis, a suitably robust fabrication method would allow for “atom-like” manipulation of “molecule-like” plasmonic nanoassemblies; of high value for next-generation energy nanotechnologies. Despite this frequent comparison, current plasmonic nanoassembly fabrication methods favor top-down templating over wet-chemical synthesis, however, achieving precise control over nanostructure’s geometry and surface characteristics remain an art and a scientific challenge. The conceptual failure may lie in the current wet-chemical synthesis paradigm, as it relies on the accessibility of a multi-dimensional synthesis parameter space through limited, rather one-dimensional synthesis procedures by employing step-by-step approaches. Solution-based nanoarchitectonics for rational design of precisely built plasmonic nanoassemblies via solution-based fabrication may finally be possible only if multi-dimensional syntheses approaches are available that allow for comprehensive control over the plasmonic nanomaterials’ (a) Structural Properties and (b) Surface Properties. Here, by developing an innovative multidimensional 1,3-propanediol based polyol synthesis, we successfully provided control over the plasmonic building-block’s geometry (size and shape) together with its surface characteristics. Our results present a critical step toward the vision of a “periodic table-like” system for plasmonic materials based on straightforward wet-chemical syntheses for energy nanotechnologies. Developing deliberate modifications on this synthesis, we generated a library of plasmonic nanostructures covering the vast parameter space—opening the door for fundamental investigation of plexcitonic model systems. (3) Microfluidic Platform for Homogenous Nanosynthesis. Control over structural properties of plexcitonic nanocomposites remains a challenge due to current limitations in nanosynthesis techniques. Slight variations in nanostructure’s geometry impact their optoelectronic properties, demanding precise synthesis beyond the capabilities of solution-based (batch) synthesis processes. In contrast, the small, confined liquid volumes used in microfluidics—a reaction technique where the manipulation of fluids takes place in channels with dimensions of tens of micrometers—allows for homogenous synthesis conditions, providing excellent control of the reaction and, as a result, of the materials’ geopmetry and composition. However, thus far, the majority of plexcitonic systems has been developed via batch synthesis. Here, by successfully developing a two-channel microreactor, our microfluidic-supported synthesis approach combines the advantages of both microfluidics and batch platforms, allowing for precise spatio-temporal control over all synthesis parameters opening the possibility for homogenous nanosythnesis of well-defined plexcitonic model systems.

14 SOLAR ENERGY↗

DOE OSTI2025

Thermodynamic Profiling Through ASSIST Observations and TROPoe Retrievals

This report reviews the most relevant theoretical aspects of thermodynamic profiling techniques based on spectral observations from ASSIST-II infrared radiometers and TROPoe retrievals. The ASSIST+TROPoe system is a cutting-edge remote sensing technology deployed during the AWAKEN and WFIP3 field campaigns to estimate high-frequency profiles of temperature and humidity in the atmosphere. These profiles are highly valuable for characterizing atmospheric stratification, improving wind models, and understanding the impacts of wind plants on the climate. In this document, we discuss the operating principles of ASSIST, the physics of atmospheric infrared radiation, and the mathematical framework and capabilities of TROPoe. Sources of uncertainties in both the instrument and the retrieval method are also thoroughly addressed. This guide is designed to help users of ASSIST, TROPoe, and thermodynamic data in collecting, estimating, and applying thermodynamic profiles rigorously and scientifically.

17 WIND ENERGY↗

NASA NTRS1970

Data user's notes of the radio astronomy experiment aboard the OGO-V spacecraft

General information concerning the low-frequency radiometer, instrument package launching and operation, and scientific objectives of the flight are provided. Calibration curves and correction factors, with general and detailed information on the preflight calibration procedure are included. The data acquisition methods and the format of the data reduction, both on 35 mm film and on incremental computer plots, are described.

Haddock, F. T.↗

NASA NTRS1982

Data processing for a cosmic ray experiment onboard the solar probes Helios 1 and 2: Experiment 6

The data processing system for the Helios experiment 6, measuring energetic charged particles of solar, planetary and galactic origin in the inner solar system, is described. The aim of this experiment is to extend knowledge on origin and propagation of cosmic rays. The different programs for data reduction, analysis, presentation, and scientific evaluation are described as well as hardware and software of the data processing equipment. A chronological presentation of the data processing operation is given. Procedures and methods for data analysis which were developed can be used with minor modifications for analysis of other space research experiments.

Mueller-Mellin, R.↗

NASA NTRS1984

Relative radiometric calibration of LANDSAT TM reflective bands

A common scientific methodology and terminology is outlined for characterizing the radiometry of both TM sensors. The magnitude of the most significant sources of radiometric variability are discussed and methods are recommended for achieving the exceptional potential inherent in the radiometric precision and accuracy of the TM sensors.

Barker, J. L.↗

NASA NTRS1985

Relative Radiometric Calibration of LANDSAT TM Reflective Bands

Results and recommendations pertaining to the characterization of the relative radiometric calibration of the protoflight thematic mapper (TM/PF) on the LANDSAT-4 satellite are presented. Some preliminary pre-launch and in-orbit results are also included from the flight model (TM/F) on LANDSAT-5. A common scientific methodology and terminology is outlined for characterizing the radiometry of both TM sensors. The magnitude of the most significant sources of radiometric variability are discussed and methods are recommended for achieving the exceptional potential inherent in the radiometric precision and accuracy of the sensors.

Barker, J. L.↗

NASA NTRS1985

Space station on-orbit identification and performance monitor

This paper describes the generic applications of on-orbit identification to the reference Space Station configuration currently under consideration by NASA. Identification functions are categorized, and the various methods for extracting parameter estimates are correlated with the sensing of specific characteristics of interest to both engineering subsystems and users of the Station's commercial and scientific facilities. A case study of crew motion detection and identification is included to illustrate the application to the Station's disturbance environment and plant characterization using accelerometer sensing. Onboard implementation architecture is discussed from the viewpoint of maximizing integration of the identification process with the flight subsystem's data and signal flow.

Mettler, E.↗

NASA NTRS1993

Transfer of training for aerospace operations: How to measure, validate, and improve it

It has been a commonly accepted practice to train pilots and astronauts in expensive, extremely sophisticated, high fidelity simulators, with as much of the real-world feel and response as possible. High fidelity and high validity have often been assumed to be inextricably interwoven, although this assumption may not be warranted. The Project Mercury rate-damping task on the Naval Air Warfare Center's Human Centrifuge Dynamic Flight Simulator, the shuttle landing task on the NASA-ARC Vertical Motion Simulator, and the almost complete acceptance by the airline industry of full-up Boeing 767 flight simulators, are just a few examples of this approach. For obvious reasons, the classical models of transfer of training have never been adequately evaluated in aerospace operations, and there have been few, if any, scientifically valid replacements for the classical models. This paper reviews some of the earlier work involving transfer of training in aerospace operations, and discusses some of the methods by which appropriate criteria for assessing the validity of training may be established.

Cohen, Malcolm M.↗

NASA NTRS2013

Three-Axis Attitude Estimation With a High-Bandwidth Angular Rate Sensor

A continuing challenge for modern instrument pointing control systems is to meet the increasingly stringent pointing performance requirements imposed by emerging advanced scientific, defense, and civilian payloads. Instruments such as adaptive optics telescopes, space interferometers, and optical communications make unprecedented demands on precision pointing capabilities. A cost-effective method was developed for increasing the pointing performance for this class of NASA applications. The solution was to develop an attitude estimator that fuses star tracker and gyro measurements with a high-bandwidth angular rotation sensor (ARS). An ARS is a rate sensor whose bandwidth extends well beyond that of the gyro, typically up to 1,000 Hz or higher. The most promising ARS sensor technology is based on a magnetohydrodynamic concept, and has recently become available commercially. The key idea is that the sensor fusion of the star tracker, gyro, and ARS provides a high-bandwidth attitude estimate suitable for supporting pointing control with a fast-steering mirror or other type of tip/tilt correction for increased performance. The ARS is relatively inexpensive and can be bolted directly next to the gyro and star tracker on the spacecraft bus. The high-bandwidth attitude estimator fuses an ARS sensor with a standard three-axis suite comprised of a gyro and star tracker. The estimation architecture is based on a dual-complementary filter (DCF) structure. The DCF takes a frequency- weighted combination of the sensors such that each sensor is most heavily weighted in a frequency region where it has the lowest noise. An important property of the DCF is that it avoids the need to model disturbance torques in the filter mechanization. This is important because the disturbance torques are generally not known in applications. This property represents an advantage over the prior art because it overcomes a weakness of the Kalman filter that arises when fusing more than one rate measurement. An additional advantage over prior art is that, computationally, the DCF requires significantly fewer real-time calculations than a Kalman filter formulation. There are essentially two reasons for this: the DCF state is not augmented with angular rate, and measurement updates occur at the slower gyro rate instead of the faster ARS sampling rate. Finally, the DCF has a simple and compelling architecture. The DCF is exactly equivalent to flying two identical attitude observers, one at low rate and one at high rate. These attitude observers are exactly of the form currently flown on typical three-axis spacecraft.

Bayard, David S.↗

NASA NTRS2019

New York City Panel on Climate Change 2019 Report Chapter 4: Coastal Flooding

Coastal flooding from storm surge is one of the most dangerous and damaging natural hazards that societies face. It was responsible for half of all hurricane related mortalities in the United States from 1963 to 2012, far more than any other factor. Coastal extreme water levels are increasing globally, mainly driven by rises in mean sea level. Sea level rise is also causing rapid increases in the annual number of shallow “nuisance floods” for low-lying neighborhoods. The objectives of this chapter are to review the latest knowledge on New York City flood risk from storms and tides, and to evaluate how climate change will affect this risk between now and the end of the century. Methods used by NPCC (2015) for assessing storm-driven extreme floods are generally repeated here, including the use of the Federal Emergency Management Agency (FEMA, 2013) baseline flood hazards (e.g., the 100-year flood(sup a)) and the methods for adding sea level rise and mapping the resulting hazard. New advancements include an innovative analysis of monthly tidal flooding based on a dynamic model, a broadened set of sea level rise scenarios supplemented with the Antarctic Rapid Ice Melt (ARIM) scenario (see Chapter 3), and sensitivity analyses that show how differing methods would affect our results. Wind is a primary factor for coastal storm surge, and a brief review is given in Appendix 4.A, with the latest scientific knowledge on what drives extreme wind events in the New York City area and how they may change in the future.

Orton, Philip↗

DOE OSTI2022

On the Convergence of Inexact Predictor-Corrector Methods for Linear Programming

Interior point methods (IPMs) are a common approach for solving linear programs (LPs) with strong theoretical guarantees and solid empirical performance. The time complexity of these methods is dominated by the cost of solving a linear system of equations at each iteration. In common applications of linear programming, particularly in machine learning and scientific computing, the size of this linear system can become prohibitively large, requiring the use of iterative solvers, which provide an approximate solution to the linear system. However, approximately solving the linear system at each iteration of an IPM invalidates the theoretical guarantees of common IPM analyses. To remedy this, we theoretically and empirically analyze (slightly modified) predictor-corrector IPMs when using approximate linear solvers: our approach guarantees that, when certain conditions are satisfied, the number of IPM iterations does not increase and that the final solution remains feasible. We also provide practical instantiations of approximate linear solvers that satisfy these conditions for special classes of constraint matrices using randomized linear algebra.

Dexter, Gregory↗

NASA NTRS2023

Estimating the Subsolar Magnetopause Position from Soft X-Ray Images Using a Low-Pass Image Filter

The Lunar Environment heliospheric X-ray Imager (LEXI) and Solar wind Magnetosphere Ionosphere Link Explorer (SMILE) missions will image the Earth’s dayside magnetopause and cusps in soft X-rays after their respective launches in the near future, to specify global magnetic reconnection modes for varying solar wind conditions. To support the success of these scientific missions, it is critical to develop techniques that extract the magnetopause locations from the observed soft X-ray images. In this research, we introduce a new geometric equation that calculates the subsolar magnetopause position ( R s ) from a satellite position, the look direction of the instrument, and the angle at which the X-ray emission is maximized. Two assumptions are used in this method: (1) The look direction where soft X-ray emissions are maximized lies tangent to the magnetopause, and (2) the magnetopause surface near the subsolar point is almost spherical and thus R s is nearly equal to the radius of the magnetopause curvature. We create synthetic soft X-ray images by using the Open Geospace General Circulation Model (OpenGGCM) global magnetohydrodynamic model, the galactic background, the instrument point spread function, and Poisson noise. We then apply the fast Fourier transform and Gaussian low-pass filters to the synthetic images to remove noise and obtain accurate look angles for the soft X-ray peaks. From the filtered images, we calculate R 2 and its accuracy for different LEXI locations, look directions, and solar wind densities by using the OpenGGCM subsolar magnetopause location as ground truth. Our method estimates R s with an accuracy of <0.3 R E when the solar wind density exceeds >10 cm -3 . The accuracy improves for greater solar wind densities and during southward interplanetary magnetic fields. The method captures the magnetopause motion during southward interplanetary magnetic field turnings. Consequently, the technique will enable quantitative analysis of the magnetopause motion and help reveal the dayside reconnection modes for dynamic solar wind conditions. This technique will support the LEXI and SMILE missions in achieving their scientific objectives.

Hyangpyo Kim↗

NASA NTRS2007

Automated Detection of Events of Scientific Interest

A report presents a slightly different perspective of the subject matter of Fusing Symbolic and Numerical Diagnostic Computations (NPO-42512), which appears elsewhere in this issue of NASA Tech Briefs. Briefly, the subject matter is the X-2000 Anomaly Detection Language, which is a developmental computing language for fusing two diagnostic computer programs one implementing a numerical analysis method, the other implementing a symbolic analysis method into a unified event-based decision analysis software system for real-time detection of events. In the case of the cited companion NASA Tech Briefs article, the contemplated events that one seeks to detect would be primarily failures or other changes that could adversely affect the safety or success of a spacecraft mission. In the case of the instant report, the events to be detected could also include natural phenomena that could be of scientific interest. Hence, the use of X- 2000 Anomaly Detection Language could contribute to a capability for automated, coordinated use of multiple sensors and sensor-output-data-processing hardware and software to effect opportunistic collection and analysis of scientific data.

James, Mark↗

DOE OSTI2024

A Biochar Classification System and Associated Test Methods

In this chapter, a biochar classification system related to its use as soil amendment is proposed. This document builds upon previous work: “Standardized product definition and product testing guidelines for biochar that is used in soil” (IBI, 2015) (aka IBI Biochar Standards) and “Guidelines for biochar production for a sustainable production of biochar: European Biochar Certificate” (EBC, 2012-2022) (aka EBC Biochar Standards). It should be noted that the EBC guidelines constitute the basis for biochar certification through the independent government accredited inspection agency, Bio.Inspecta AG. The present document constrains its scope to materials with properties that satisfy the criteria for biochar as defined by either the IBI Biochar Standards or the EBC Standards (Annex I), as required by the current methodologies developed for accounting carbon credits associated with the biochar use in the voluntary market (e.g., Verra, Puro.Earth). The classification system envisions enabling stakeholders and commercial entities to (i) identify the most suitable biochar to fulfil the requirements for a particular soil and/or land-use, (ii) distinguish the application of biochar for specific niches (e.g., soilless agriculture), and (iii) assess the climate-impact value based on biochar properties, production efficiency, and alternative feedstock uses. It is based on the best current knowledge and will need to be improved as new data and knowledge become available in the scientific literature.

biochar, climate change impacts, soil amendment, c↗

NASA NTRS2016

Selected Scientific and Technical Contributions of Edward C. Polhamus

Edward C. Polhamus joined the NACA Langley Research Center staff in 1944 and was active in a broad range of aerodynamic research related to high-speed aircraft technology, aerodynamic prediction methods, and cryogenic wind-tunnel development. This lecture will focus on his 'leading-edge suction analogy' for the prediction of vortex-lift effects on slender wings. Briefer treatment of his contributions to variable-sweep aircraft and cryogenic wind tunnels is also included.

Luckring, James M.↗