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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Virtually Out of This World!

Ames Research Center granted Reality Capture Technologies (RCT), Inc., a license to further develop NASA's Mars Map software platform. The company incorporated NASA#s innovation into software that uses the Virtual Plant Model (VPM)(TM) to structure, modify, and implement the construction sites of industrial facilities, as well as develop, validate, and train operators on procedures. The VPM orchestrates the exchange of information between engineering, production, and business transaction systems. This enables users to simulate, control, and optimize work processes while increasing the reliability of critical business decisions. Engineers can complete the construction process and test various aspects of it in virtual reality before building the actual structure. With virtual access to and simulation of the construction site, project personnel can manage, access control, and respond to changes on complex constructions more effectively. Engineers can also create operating procedures, training, and documentation. Virtual Plant Model(TM) is a trademark of Reality Capture Technologies, Inc.

Source record↗
NASA NTRS2018

Climate Lecture 4: Atmospheric Radiation

The climate system is well known for its great complexity and complex interactions that involve dynamic, thermodynamic, radiative, chemical, biological and human-driven processes. This view of the climate system has emerged from detailed measurements, meticulous record keeping, and theoretical analyses arising from, and made possible by the science and technology revolution that greatly advanced our understanding the role of physical processes that operate in the global climate system. These measurements also show very clearly that the global surface temperature has been rising over the past century, and that this is a consequence of human industrial activity.

Oinas, Valdar↗
DOE OSTI2022

Defects and anomalies in powder bed fusion metal additive manufacturing

Metal additive manufacturing is a disruptive technology that is revolutionizing the manufacturing industry. Despite its unrivaled capability for directly fabricating metal parts with complex geometries, the wide realization of the technology is currently limited by microstructural defects and anomalies, which could significantly degrade the structural integrity and service performance of the product. Accurate detection, characterization, and prediction of these defects and anomalies have an important and immediate impact in manufacturing fully-dense and defect-free builds. As such, this review seeks to elucidate common defects/anomalies and their formation mechanisms in powder bed fusion additive manufacturing processes. They could arise from raw materials, processing conditions, and post-processing. While defects/anomalies in laser welding have been studied extensively, their formation and evolution remain unclear. Additionally, the existence of powder in powder bed fusion techniques may generate new types of defects, e.g., porosity transferring from powder to builds. Practical strategies to mitigate defects are also addressed through fundamental understanding of their formation. Such explorations enable the validation and calibration of models and ease the process qualification without costly trial-and-error experimentation.

42 ENGINEERING↗
DOE OSTI2023

Synthesis and Structural Study of Substituted Ternary Nitrides for Ammonia Production

Over the past few decades, inorganic nitride materials have grown in importance in part due to their potential as catalysts for the synthesis of NH 3 , a key ingredient in fertilizer and precursor to industrial chemicals. Of particular interest are the ternary (ABN) or higher-order nitrides with high metal-to-nitrogen ratios that show promise in enhancing NH 3 synthesis reaction rates and yields via heterogeneous catalysis or chemical looping. Although metal nitrides are predicted to be numerous, the stability of nitrogen triple bonds found in N 2 , especially in comparison to the metal–nitrogen bonds, has considerably hindered synthetic efforts to produce complex nitride compounds. In this study, we present an exhaustive down-selection process to identify ternary nitrides for a promising chemical looping NH 3 production mechanism. We also report on a facile and efficient two-step synthesis method that can produce well-characterized η-carbide Co 3 Mo 3 N/Fe 3 Mo 3 N or filled β-manganese Ni 2 Mo 3 N ternaries, as well as their associated quaternary, (Co,Fe) 3 Mo 3 N, (Fe,Ni) 2 Mo 3 N, and (Co,Ni) 2 Mo 3 N, solid solutions. To further explore the quaternary space, syntheses of (Co,Ni) 3 Mo 3 N (Ni ≤ 10 mol %) and Co 3 (Mo,W) 3 N (W ≤ 10 mol %) were also investigated. The structures of the nitrides were characterized via X-ray powder diffraction. The morphology and compositions were characterized with scanning electron microscopy. In conclusion, the multitude of chemically unique, but structurally related, nitrides suggests that properties such as nitrogen activity may be tunable, making the materials of great interest for NH 3 synthesis schemes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Selective Lanthanide Sensing with Gold Nanoparticles and Hydroxypyridinone Chelators

The octadentate hydroxypyridinone chelator 3,4,3-LI(1,2-HOPO) is a promising therapeutic agent because of its high affinity for f-block elements and noncytotoxicity at medical dosages. The interaction between 3,4,3-LI(1,2-HOPO) and other biomedically relevant metals such as gold, however, has not been explored. Gold nanoparticles functionalized with chelators have demonstrated great potential in theranostics, yet thus far, no protocol that combines 3,4,3-LI(1,2-HOPO) and colloidal gold has been developed. Here, we characterize the solution thermodynamic properties of the complexes formed between 3,4,3-LI(1,2-HOPO) and Au 3+ ions and demonstrate how under specific pH conditions the chelator promotes the growth of gold nanoparticles, acting as both reducing and stabilizing agent. 3,4,3-LI(1,2-HOPO) ligands on the nanoparticle surface remain active and selective toward f-block elements, as evidenced by gold nanoparticle selective aggregation. Finally, a new colorimetric assay capable of reaching the detection levels necessary for the quantification of lanthanides in waste from industrial processes is developed based on the inhibition of particle growth by lanthanides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

ManiPIO - Manipulate Process I/O for Industrial Control Systems

The Manipulate Process Input/Output (IO) (ManiPIO) program allows users to develop custom scripts to execute Industrial Control System (ICS) manipulations. The driving development principles of ManiPIO are modularity and ease of use. Currently the program can utilize the Modbus TCP communication protocol, but its modular programming structure allows other protocols to be quickly and easily implemented. Additional functionality can be added to fit specific user needs, due to the usage of Python classes. The input configuration instructions are human readable and allow the user to create a complex series of control system manipulations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2016

Qualitative Fault Isolation of Hybrid Systems: A Structural Model Decomposition-Based Approach

Quick and robust fault diagnosis is critical to ensuring safe operation of complex engineering systems. A large number of techniques are available to provide fault diagnosis in systems with continuous dynamics. However, many systems in aerospace and industrial environments are best represented as hybrid systems that consist of discrete behavioral modes, each with its own continuous dynamics. These hybrid dynamics make the on-line fault diagnosis task computationally more complex due to the large number of possible system modes and the existence of autonomous mode transitions. This paper presents a qualitative fault isolation framework for hybrid systems based on structural model decomposition. The fault isolation is performed by analyzing the qualitative information of the residual deviations. However, in hybrid systems this process becomes complex due to possible existence of observation delays, which can cause observed deviations to be inconsistent with the expected deviations for the current mode in the system. The great advantage of structural model decomposition is that (i) it allows to design residuals that respond to only a subset of the faults, and (ii) every time a mode change occurs, only a subset of the residuals will need to be reconfigured, thus reducing the complexity of the reasoning process for isolation purposes. To demonstrate and test the validity of our approach, we use an electric circuit simulation as the case study.

Hybrid Systems Diagnosis↗
NASA NTRSDate not supplied

Contextualizing Air Traffic Management Conversations using Natural Language Understanding

Efficient management of air traffic and mitigation of delays depend on extracting actionable information from unstructured data, such as dialogues from the Federal Aviation Administration’s (FAA’s) Air Traffic Control System Command Center (ATCSCC) telecons. This study presents a pipeline utilizing Natural Language Processing (NLP) methods for Intent Classification (IC) and Slot Filling (SF) to identify and extract Traffic Management Initiatives (TMIs) from aviation-specific dialogues. We leveraged DeBERTa, a pre-trained transformer model, and fine-tuned it to the nuances of the aviation domain. Despite challenges posed by annotation complexities, the IC model achieved promising results with a weighted average F1-score of 0.81. Our results are close to those of human annotators, which demonstrates the model’s strong alignment with human-level performance. The SF model also showed strong performance, achieving a weighted F1-score of 0.97, which demonstrates its effectiveness in accurately predicting key slots. Our analysis revealed limitations in handling less frequent intents and slot labels due to data sparsity, motivating future efforts to adopt joint IC-SF modeling and data augmentation strategies. This research highlights the potential of domain-specific NLP to streamline decision-making in the aviation industry and improve the management of TMIs.

Air Traffic Control Management↗
DOE OSTI2018

Enabling adoption of 2D-NMR for the higher order structure assessment of monoclonal antibody therapeutics

The increased interest in using monoclonal antibodies (mAbs) as a platform for biopharmaceuticals has led to the need for new analytical techniques that can precisely assess physicochemical properties of these large and very complex drugs for the purpose of correctly identifying quality attributes (QA). One QA, higher order structure (HOS), is unique to biopharmaceuticals and essential for establishing consistency in biopharmaceutical manufacturing, detecting process-related variations from manufacturing changes and establishing comparability between biologic products. To address this measurement challenge, two-dimensional nuclear magnetic resonance spectroscopy (2D-NMR) methods were introduced that allow for the precise atomic-level comparison of the HOS between two proteins, including mAbs. Here, an inter-laboratory comparison involving 26 industrial, government and academic laboratories worldwide was performed as a benchmark using the NISTmAb, from the National Institute of Standards and Technology (NIST), to facilitate the translation of the 2D-NMR method into routine use for biopharmaceutical product development. Two-dimensional 1H,15N and 1H,13C NMR spectra were acquired with harmonized experimental protocols on the unlabeled Fab domain and a uniformly enriched-15N, 20%-13C-enriched system suitability sample derived from the NISTmAb. Chemometric analyses from over 400 spectral maps acquired on 39 different NMR spectrometers ranging from 500 MHz to 900 MHz demonstrate spectral fingerprints that are fit-for-purpose for the assessment of HOS. The 2D-NMR method is shown to provide the measurement reliability needed to move the technique from an emerging technology to a harmonized, routine measurement that can be generally applied with great confidence to high precision assessments of the HOS of mAb-based biotherapeutics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Verification and Validation of Digitally Upgraded Control Rooms

As nuclear power plants undertake main control room modernization, a challenge is the lack of a clearly defined human factors process to follow. Verification and validation (V&V) as applied in the nuclear power community has tended to involve efforts such as integrated system validation, which comes at the tail end of the design stage. To fill in guidance gaps and create a step-by-step process for control room modernization, we have developed the Guideline for Operational Nuclear Usability and Knowledge Elicitation (GONUKE). This approach builds on best practices in the software industry, which prescribe an iterative user-centered approach featuring multiple cycles of design and evaluation. Nuclear regulatory guidance for control room design emphasizes summative evaluation—which occurs after the design is complete. In the GONUKE approach, evaluation is also performed at the formative stage of design—early in the design cycle using mockups and prototypes for evaluation. The evaluation may involve expert review (e.g., software heuristic evaluation at the formative stage and design verification against human factors standards like NUREG-0700 at the summative stage). The evaluation may also involve user testing (e.g., usability testing at the formative stage and integrated system validation at the summative stage). An additional, often overlooked component of evaluation is knowledge elicitation, which captures operator insights into the system. In this report we outline these evaluation types across design phases that support the overall modernization process. The objective is to provide industry-suitable guidance for steps to be taken in support of the design and evaluation of a new human-machine interface (HMI) in the control room. We suggest the value of early-stage V&V and highlight how this early-stage V&V can help improve the design process for control room modernization. We argue that there is a need to overcome two shortcomings of V&V in current practice—the propensity for late-stage V&V and the use of increasingly complex psychological assessment measures for V&V.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2001

Mapping Rice Production in China with AVHRR Imagery

The study of rice agriculture is necessary for both the importance of rice as a vital food source and because of the fact that cultivating it has an unfortunate byproduct, namely methane gas. As a food source, rice is a staple for a large majority of the world's population, especially in Asia. Because the populations of many Asian nations are increasing at rapid rates, the production of rice will need to similarly increase. In 1989, it was estimated that the demand for rice would increase by 65% by the year 2019. Rice crops are considered to be one of the primary anthropogenic sources of methane gas. A reason for concern is that this gas is a so-called "greenhouse" trace gas and given its increasing levels in the atmosphere, is thought to contribute to the suspected global warming phenomenon. Some estimate that methane may contribute up to 20% to the global warming effect. Trace gas emissions from anthropogenic sources is an issue that generates great worldwide interest because of the fact that mankind is very likely affecting the current and future climate in potentially negative ways. In an effort to better understand these effects, scientists and engineers are conducting research on all of the varied fronts which relate to climate change and biosphere/atmosphere interactions. The study of global warming through increasing concentrations of greenhouse gases is one area which has received much media and scientific attention. Research fueled by debates on this topic is being conducted on numerous, interrelated fronts in an effort to better understand the complex relationship between human activities and the earth's climate. The research ranges from attempting to verify if the observed data even supports the existence of an anthropogenically generated global-warming phenomenon, to identification of sources and sinks of the trace gases, to measuring the source strengths, to studies which focus on modeling the processes which generate the gases, and finally, to trying to project their impact on the global climatic system. Some of the more commonly known sources of greenhouse gases are related to industry and transportation. Carbon dioxide, CO2, from automobile emissions is one such example. Lesser known are sources from natural and cultivated vegetation, such as the methane, CH4, resulting from rice cropping. While the concentration of atmospheric methane is significantly less than that of carbon dioxide, CH4 has been estimated to have up to 32 times the insulating capability of carbon dioxide, making it an important gas to monitor. The remainder of this chapter will provide some additional background information on the effects of atmospheric methane, and the role that rice agriculture plays as a source in the methane budget. This will be followed by a brief description of efforts to model this source of atmospheric methane. Finally, this chapter will end with a statement of the hypotheses of this thesis, at which time a description of the information contained in the rest of this document will be provided.

Paliouras, Eleni J.↗
NASA NTRS2004

Granular Material Flows with Interstitial Fluid Effects

The research focused on experimental measurements of the rheological properties of liquid-solid and granular flows. In these flows, the viscous effects of the interstitial fluid, the inertia of the fluid and particles, and the collisional interactions of the particles may all contribute to the flow mechanics. These multiphase flows include industrial problems such as coal slurry pipelines, hydraulic fracturing processes, fluidized beds, mining and milling operation, abrasive water jet machining, and polishing and surface erosion technologies. In addition, there are a wide range of geophysical flows such as debris flows, landslides and sediment transport. In extraterrestrial applications, the study of transport of particulate materials is fundamental to the mining and processing of lunar and Martian soils and the transport of atmospheric dust (National Research Council 2000). The recent images from Mars Global Surveyor spacecraft dramatically depict the complex sand and dust flows on Mars, including dune formation and dust avalanches on the slip-face of dune surfaces. These Aeolian features involve a complex interaction of the prevailing winds and deposition or erosion of the sediment layer; these features make a good test bed for the verification of global circulation models of the Martian atmosphere.

Hunt, Melany L.↗
DOE OSTI2025

Late Metal Sandwich Catalysts for Olefin Polymerization

Polyolefins are by far the most ubiquitous industrially produced polymers and are primarily produced by early transition metal catalysts. These catalysts are not functional group tolerant, and copolymerization of ethylene and polar vinyl monomers is quite challenging. Furthermore, early metal catalysts convert ethylene to linear polyethylene, and introduction of branches requires addition of comonomers. In this Account, we describe our efforts in designing and implementing new Pd(II) and Ni(II) olefin polymerization catalysts based on mechanistic understanding of the chain growth process. Here, the original hindered nickel- and palladium-aryl-substituted diimine complexes were discovered in 1995. The key to the success of these now “classic” systems in generating high polymers rather than dimers or oligomers was realizing that incorporation of ortho-disubstituted aryl groups partially blocks the axial sites of the metal and thus retards the rate of chain transfer relative to propagation. Two key features of these late metal catalysts distinguish them from early metal complexes. First, they tolerate certain functional groups, which allows copolymerization of olefins with polar comonomers. Second, they can form a branched polymer from ethylene without the need to add α-olefin comonomers. Importantly, for nickel catalysts, branching levels can be modulated by changing reaction conditions, such as temperature and monomer pressure.

Catalysts↗
DOE OSTI2021

Stability and molecular pathways to the formation of spin defects in silicon carbide

Abstract Spin defects in wide-bandgap semiconductors provide a promising platform to create qubits for quantum technologies. Their synthesis, however, presents considerable challenges, and the mechanisms responsible for their generation or annihilation are poorly understood. Here, we elucidate spin defect formation processes in a binary crystal for a key qubit candidate—the divacancy complex (VV) in silicon carbide (SiC). Using atomistic models, enhanced sampling simulations, and density functional theory calculations, we find that VV formation is a thermally activated process that competes with the conversion of silicon (V Si ) to carbon monovacancies (V C ), and that VV reorientation can occur without dissociation. We also find that increasing the concentration of V Si relative to V C favors the formation of divacancies. Moreover, we identify pathways to create spin defects consisting of antisite-double vacancy complexes and determine their electronic properties. The detailed view of the mechanisms that underpin the formation and dynamics of spin defects presented here may facilitate the realization of qubits in an industrially relevant material.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Effect of alloying elements, cold work, and hydrogen on the irradiation-induced growth behavior of zirconium alloy variants - 2016-0040

In-reactor dimensional changes in zirconium-based alloys result from a complex interplay of many factors, such as (1) alloy type and composition, including the addition of elements such as niobium, iron, and tin; (2) fabrication process, including cold work, texture, and residual stresses; (3) irradiation temperature; and (4) hydrogen levels. In many cases, the observed dimensional changes in light water reactor fuel-assembly components-especially at high exposures-cannot be fully explained based on current growth and creep models. Therefore, a systematic approach was taken in this multi-year (2005-2011) Nuclear Fuel Industry Research Program investigation. The objective was to measure stress-free irradiation-induced growth (IIG) of specially fabricated alloys through irradiation under controlled conditions in the BOR-60 fast-flux test reactor up to a high fluence of approximately 2X10{sup 26} m{sup -2} (E>1 MeV)-equivalent to maximum of approximately 37 dpa exposure-followed by postirradiation examinations (PIEs). Irradiation temperature was within a narrow temperature range (320±10 deg. C). The PIEs included dimensional-change and microhardness measurements, metallography and hydride etching, and scanning transmission electron microscopy (STEM) or transmission electron microscopy (TEM). All irradiation samples (typically flat rectangular coupons or curvilinear cutouts of cladding tubes sized 35 by 6.5 by 0.8 mm) were pre-filmed to avoid the uptake of impurity hydrogen from sodium-cooled BOR-60. A wide variety of samples representing standard LWR cladding alloys with and without pre-hydriding (approximately 116 to approximately 718 ppm) as well as special compositions with iron contents (100 to 4,000 ppm) were irradiated. The irradiation in BOR-60 was done in five different stages (eight micro-cycles) and lasted approximately 18 months with interim and final growth measurements made using a high precision-length measurement device. Results of the extensive investigation include: significant effects of Fe, Nb, and hydrogen additions; quantification of growth rates from low to very high fluences (dpas); measurement of volume changes; and correlation of growth with -component dislocation densities. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2017

Basic Energy Sciences Roundtable: Opportunities for Quantum Computing in Chemical and Materials Sciences

Fundamental transformations in the basic logic of computing are few and far between. Since the invention of digital computers in the early 1940s, the logic underlying computation has remained the same, even as computing hardware evolved from vacuum tubes to silicon transistors. With the advent of quantum computation, a fundamental transformation is near. Quantum computation is based on a different type of logic: rather than being in one of the two states of a classical bit, a quantum bit or qubit can be in a superposition of two states simultaneously. Operations and measurements on these qubits obey the constraints of quantum mechanics. It is now understood that quantum computers have great power in principle to go beyond classical computers, but that not every application is well suited to implementation on quantum computers. For reasons explained in more detail in the Introduction, scientific problems in chemical and materials sciences are uniquely suited to take advantage of quantum computing in the relatively near future. Indeed, quantum computing offers the best hope to solve many of the most important and difficult problems in this field. For example, quantum materials, such as superconductors and complex magnetic materials, show novel kinds of ordered phases that are natural from the point of view of quantum mechanics but difficult to access via computation on classical computers. Quantum sensors based on solid materials are already widely used but could be greatly improved with insight from quantum computations, as could materials for information technologies. Quantum chemical dynamics is another example of a problem that is intrinsically well suited to studies on quantum computers. Applications of quantum chemical dynamics include catalysis, artificial photosynthesis, and other industrially important processes. Quantum computers exist in the laboratory and are beginning to exceed 50 qubits, which is roughly the size beyond which their behavior cannot be predicted or emulated on present-day classical supercomputers. While a quantum computer of 50 qubits is almost certainly not powerful enough to tackle the major scientific challenges in chemical and materials sciences, some of these major challenges start to become accessible with a few hundred qubits if error rates can be kept small. This roundtable was convened to ask how emerging quantum computers can be applied to major scientific problems in chemical and materials sciences, in light of Basic Energy Sciences’s leading role in these fields and the Department of Energy’s leading role in high-performance scientific computation more generally. The main outcome of the roundtable was a consensus that there are scientific problems of great importance on which emerging quantum computers have the potential for disruptive impact, and where comparable progress is unlikely to occur by other means.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Human Systems Integration Relationships Between Deep Space and Deepwater Exploration Challenges

NASA pursuit of human missions Beyond Earth Orbit (BEO) to the moon and eventually Mars will pose many new challenges. These missions are characterized by increased risks to human performance due to stress, fatigue, radiation exposure, and isolation. Fundamental changes in spaceflight operations will be required as well. A very critical part of future missions will be assisting the crew with problem-solving and contingency resolution using next-generation smart spacecraft systems. Human Systems Integration (HSI) must be included as part of the systems engineering process. Gateway1 will serve as part of the proving ground for maturing technology such as autonomous systems and space operations procedures to help meet moon mission goals and prepare humans for missions to Mars. For deep space missions, risk factors affecting humans such as mission duration, distance, and physiological/psychological effects, must be considered. A human is not a simple component but rather a system in a systems-of-systems application-a system influenced by cognitive and biological factors that are difficult to model/analyze. System complexity will demand an integrated approach that requires multiple viewpoints, including the understanding of the astronauts' capabilities and limitations to enhance safety, performance, and satisfaction on the interaction between all system users in a variety of environments to achieve acceptable mission goals and performance. HSI will play a vital role in the development of these future missions. This paper provides a discussion of HSI used at NASA and the critical role human factors engineering will play in the HSI process for future missions along with the challenges. Industries such as oil and gas (O&G) could benefit from the content of this paper to help improve the safety and operations of deepwater/oil and gas exploration activities. NASA engineering and human systems subject-matter expert personnel reviewed challenges reported in space-related environments for long space duration missions and identified similarities with the challenges encountered in deepwater exploration. The researchers noted the space industry's current solutions and proposed a system development view to solve future deepwater exploration challenges using HSI principles. This paper discusses the results of the review.

George Salazar↗