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DOE OSTI2022

Sensitivity Analysis of an Electrospray Dehumidification System

Electrically enhanced condensation achieved by an electrospray system can enhance dehumidification in HVAC applications if successfully scaled up. The first step towards scale-up is identifying critical design and operating parameters that significantly impact dehumidification for the electrospray system. Sensitivity analysis is one approach for identifying critical parameters. This paper presents a methodology that can efficiently perform quantitative sensitivity analysis on a computationally expensive high fidelity simulation model, which is a computational fluid dynamics (CFD) model of the electrospray system. The methodology employs surrogate modeling and Sobol sensitivity analysis. We estimate the main and total effect Sobol sensitivity indices of four operating parameters of the electrospray system. The results reveal that the most important parameter is the size of the sprayed droplets, followed by the volumetric flow rate of the bulk air and injected water in the system. The water injection velocity of the spray was found to have little to no impact on dehumidification.

Young, David↗

NASA NTRS1978

Oxide morphology and spalling model for NiAl

A scanning electron microscope equipped with an energy dispersive spectrographic unit was used to study in detail the Al2O3 oxide morphology and oxide-metal interface of a nickel-rich NiAl alloy (Ni-42 at% Al) with a view toward providing information relevant to spalling theories in the MCrAlY system. In addition, the kinetics of spalling was studied for critical evaluation of one of the step-process spall models and for collection of pertinent experimental data. Cyclic oxidation tests were run in 1-atm air at about 1100 C, and isothermal specimens were examined from 2 min to 200 hr of exposure. It is shown that oxide spalling occurs primarily at the oxide-metal interface in an intergranular mode, that crystallographic Kirkendall voids arise as a result of oxidation, and that the fractional area of spalled oxide varies widely in cyclic tests but increases with the square of oxide thickness for isothermal tests. A spall model is developed in the form of a summation series.

Smialek, J. L.↗

NASA NTRS1990

Intelligent processing of intermetallic composite consolidation

Intermetallic composites based upon titanium aluminide matrices and silicon carbide of aluminum oxide fibers are emerging candidates for future hypersonic vehicle airframes and engines. To tailor the properties of these 'engineered' materials for specific application, to increase process yield, and to reduce costs, 'intelligent processing of materials' (IPM) control strategies are being explored for their processing. Recent progress is evaluated in the development of predictive process models, advanced sensors and control methodologies (the components of the IPM approach) for the critical near net-shape consolidation process step of continuous fiber reinforced intermetallic composite manufacture.

Wadley, H. N. G.↗

NASA NTRS1995

Formal methods in the design of Ada 1995

Formal, mathematical methods are most useful when applied early in the design and implementation of a software system--that, at least, is the familiar refrain. I will report on a modest effort to apply formal methods at the earliest possible stage, namely, in the design of the Ada 95 programming language itself. This talk is an 'experience report' that provides brief case studies illustrating the kinds of problems we worked on, how we approached them, and the extent (if any) to which the results proved useful. It also derives some lessons and suggestions for those undertaking future projects of this kind. Ada 95 is the first revision of the standard for the Ada programming language. The revision began in 1988, when the Ada Joint Programming Office first asked the Ada Board to recommend a plan for revising the Ada standard. The first step in the revision was to solicit criticisms of Ada 83. A set of requirements for the new language standard, based on those criticisms, was published in 1990. A small design team, the Mapping Revision Team (MRT), became exclusively responsible for revising the language standard to satisfy those requirements. The MRT, from Intermetrics, is led by S. Tucker Taft. The work of the MRT was regularly subject to independent review and criticism by a committee of distinguished Reviewers and by several advisory teams--for example, the two User/Implementor teams, each consisting of an industrial user (attempting to make significant use of the new language on a realistic application) and a compiler vendor (undertaking, experimentally, to modify its current implementation in order to provide the necessary new features). One novel decision established the Language Precision Team (LPT), which investigated language proposals from a mathematical point of view. The LPT applied formal mathematical analysis to help improve the design of Ada 95 (e.g., by clarifying the language proposals) and to help promote its acceptance (e.g., by identifying a verifiable subset that would meet the needs of safety-critical applications). The first LPT project, which ran from the fall of 1990 unti the end of 1992, produced studies of several language issues: optimization, sharing and storage, tasking and protected records, overload resolution, the floating point model, distribution, program erros, and object-oriented programming. The second LPT project, in 1994, formally modeled the dynamic semantics of a large part of the (almost) final language definition, looking especially for interactions between language features.

Guaspari, David↗

NASA NTRS1999

Cryotank Skin/Stringer Bondline Analysis

The need for light weight structure for advanced launch systems have presented great challenges and led to the usage of composites materials in a variety of structural assemblies where joining of two or more components is imperative. Although joints can be mechanically bolted, adhesive bonding has always been a very desirable method for joining the composite components, particularly for the cryotank systems, to achieve maximum structural efficiency. This paper presents the analytical approach resulted from the conceptual development of the DC-Y composite cryotank, conducted under the NASA/Boeing NRA 8-12 Partnership, to support the continued progress of SSTO (Single-Stage-To-Orbit) concepts. One of the critical areas of design was identified as the bonded interface between the skin (tank wall) and stringer. The approach to analyze this critical area will be illustrated through the steps which were used to evaluate the structural integrity of the bondline. Detailed finite element models were developed and numerous coupon test data were also gathered as part of the approach. Future plan is to incorporate this approach as a building block in analyzing bondline for the cryotank systems of RLVs (Reusable Launch Vehicles).

Nguyen, Bao↗

NASA NTRS2011

The Integration and Test Program of the James Webb Space Telescope

With the delivery of its flight scientific instruments and the completion of all telescope optics both scheduled to occur later this year, the James Webb Space Telescope (JWST) will enter into a challenging integration and test (I&T) program. Highlights of that program include cryo-vacuum tests of the Integrated Science Instrument Module (ISIM) at Goddard Space Flight Center, ambient integration of the ISIM and the Optical Telescope Element (OTE) at Goddard, and an end-to-end cryo-vacuum test of the OTE + ISIM system at Johnson Space Center. We review the overall flow of the I&T program, highlighting the key activities and the critical verifications to be performed at each step.

Randy, Kimble↗

NASA NTRS2018

A First Look at the Evolution of Flight Crew Requirements for Emerging Market Aircraft

This is an exciting time for aviation. New vehicle and airspace technologies promise large increases in the number of aircraft in operation. One critical technology for these emerging markets is the increased use of automated systems to reduce pilot skill, training, and proficiency requirements. While the use of these systems promises to reduce or eliminate pilot functions in the long-term, the technology development for the required functions will necessitate a phased transition. The transition to, and adoption of automated systems will generate new safety challenges. This paper is a first look at a model to help frame flight crew functions for evaluation of future operational requirements. The model is intended to provide required flight crew functions regardless of whether the functions are performed by human or artificial agent. It is hoped that the model will be useful in identifying safety challenges and enabling a safe transition for the new aviation markets. The paper presents some background for a model for framing the flight crew function model and some thoughts about next steps.

safety-critical automation↗

NASA NTRS2006

Modeling the Self-organized Critical Behavior of the Plasma Sheet Reconnection Dynamics

Analyses of Polar UVI auroral image data reviewed in our other presentation at this meeting (V. Uritsky, A. Klimas) show that bright night-side high-latitude UV emissions exhibit so many of the key properties of systems in self-organized criticality (SOC) that an alternate interpretation has become virtually impossible. It is now necessary to find and model the source of this behavior. We note that the most common models of self-organized criticality are numerical sandpiles. These are, at root, models that govern the transport of some quantity from a region where it is loaded to another where it is unloaded. Transport is enabled by the excitation of a local threshold instability; it is intermittent and bursty, and it exhibits a number of scale-free statistical properties. Searching for a system in the magnetosphere that is analogous and that, in addition, is known to produce auroral signatures, we focus on the reconnection dynamics of the plasma sheet. In our previous work, a driven reconnection model has been constructed and has been under study. The transport of electromagnetic (primarily magnetic) energy carried by the Poynting flux into the reconnection region of the model has been examined. All of the analysis techniques, and more, that have been applied to the auroral image data have also been applied to this Poynting flux. Here, we report new results showing that this model also exhibits so many of the key properties of systems in self-organized criticality that an alternate interpretation is implausible. Further, we find a strong correlation between these key properties of the model and those of the auroral UV emissions. We suggest that, in general, the driven reconnection model is an important step toward a realistic plasma physical model of self-organized criticality and we conclude, more specifically, that it is also a step in the right direction toward modeling the multiscale reconnection dynamics of the magnetotail.

Klimas, Alex↗

NASA NTRS2006

Modeling the Self-organized Critical Behavior of Earth's Plasma Sheet Reconnection Dynamics

Analyses of Polar UVI auroral image data show that bright night-side high-latitude W emissions exhibit so many of the key properties of systems in self-organized criticality that an alternate interpretation has become virtually impossible. These analyses will be reviewed. It is now necessary to find and model the source of this behavior. We note that the most common models of self-organized criticality are numerical sandpiles. These are, at root, models that govern the transport of some quantity from a region where it is loaded to another where it is unloaded. Transport is enabled by the excitation of a local threshold instability; it is intermittent and bursty, and it exhibits a number of scale-free statistical properties. Searching for a system in the magnetosphere that is analogous and that, in addition, is known to produce auroral signatures, we focus on the reconnection dynamics of the magnetotail plasma sheet. In our previous work, a driven reconnection model has been constructed and has been under study. The transport of electromagnetic (primarily magnetic) energy carried by the Poynting flux into the reconnection region of the model has been examined. All of the analysis techniques (and more) that have been applied to the auroral image data have also been applied to this Poynting flux. New results will be presented showing that this model also exhibits so many of the key properties of systems in self-organized criticality that an alternate interpretation is implausible. A strong correlation between these key properties of the model and those of the auroral UV emissions will be demonstrated. We suggest that, in general, the driven reconnection model is an important step toward a realistic plasma physical model of self-organized criticality and we conclude, more specifically, that it is also a step in the right direction toward modeling the multiscale reconnection dynamics of the magnetotail.

Klimas, Alexander J.↗

NASA NTRS1993

A critical comparison of several low Reynolds number k-epsilon turbulence models for flow over a backward facing step

Turbulent backward-facing step flow was examined using four low turbulent Reynolds number k-epsilon models and one standard high Reynolds number technique. A tunnel configuration of 1:9 (step height: exit tunnel height) was used. The models tested include: the original Jones and Launder; Chien; Launder and Sharma; and the recent Shih and Lumley formulation. The experimental reference of Driver and Seegmiller was used to make detailed comparisons between reattachment length, velocity, pressure, turbulent kinetic energy, Reynolds shear stress, and skin friction predictions. The results indicated that the use of a wall function for the standard k-epsilon technique did not reduce the calculation accuracy for this separated flow when compared to the low turbulent Reynolds number techniques.

Steffen, C. J., Jr.↗

DOE OSTI2022

DINGO: Digital assistant to grid operators for resilience management of power distribution system

With increasing adverse weather events and disasters, enabling resiliency of the power distribution system (PDS) is becoming increasingly important. Here in this work, resiliency is defined as the systems ability to keep supplying critical loads even with multiple contingencies. Resiliency may depend on: (a) advanced tools to assist operators in situational awareness and decision making with the increasing volume of data generated by the PDS, (b) visualization and ease of interaction with system resources and information, especially during extreme events and resulting human operator stress, and (c) flexible resources and autonomous control. Operators and support engineers need to interact with the system for key information and take action under stress, given the requirement for decisions in a short time. Integrated technological solutions are prevailing steps to support the most appropriate decision during critical times to serve essential loads. In order to meet the required goals, a Real-time Resiliency Monitoring and Operational Decision Support (RT-RMOD) tool have been developed. It supports various functionalities, including real-time monitoring, resilience assessment, and proactive decision support. However, this work makes advanced feature additions to the tool by developing data-enabled resilience management algorithms for (i) outage detection and localization, (ii) Resiliency-metric driven restoration and reconfiguration, and (iii) NLP based digital assistant for operators called DINGO (DIgital assistaNt to Grid Operators) to interact with Advanced Distribution Management System (ADMS) and RT-RMOD. The developed algorithm was validated for multiple cases of weather events using a real-world, off-grid microgrid system modeled in a real-time simulator, sensor data, and software tools.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Rate Limiting Regimes in Photochemical H2 Generation by Complexes of Colloidal CdS Nanorods and Hydrogenase

Driving redox enzyme catalysis with photoexcited semiconductor nanocrystals is a compelling approach for chemical conversion. We examined how the interplay of the many chemical steps involved determines the rates of photochemical H2 production with complexes of colloidal CdS nanorods and an [FeFe]-hydrogenase. We elucidated the roles of three critical and previously elusive processes-scavenging of photoexcited holes from nanorods, back-electron transfer, and H2 oxidation. Kinetic Monte Carlo simulations and fitting to experimental data revealed that hole transfer becomes the rate-limiting step at high illumination intensities. Comparisons of simulations to experimental H2 production showed that both back-electron transfer and H2 oxidation play an efficiency-limiting role at high catalyst loadings. This work provides guiding principles for tuning experimental parameters to minimize energy-wasting pathways and optimize photochemical product formation. More broadly, we demonstrate how critical but elusive chemical steps in photochemical reactions can be probed with a combination of experiments and simulations.

08 HYDROGEN↗

NASA NTRS1982

Secondary effects in combustion instabilities leading to flashback

The secondary effects in turbulent combustion instabilities leading to flashback are investigated, including those due to buoyancy and contraction at the combustor outlet. Experiments were conducted in an oblong, rectangular cross-section combustion tunnel, where the effects of a bluff-body flames holder were generated by a rear-facing step behind a streamlined inlet nozzle. The results of experiments leading to flashback with the step mounted at the bottom of the combustion chamber were compared to those of experiments in which it was located at the top. Irrespective of the flow obstructions introduced downstream, the critical equivalence ratio for flashback was consistently lower with the step at the bottom, indicating that buoyancy was enhancing the growth of the recirculation zone that pushed the flame upstream and caused flashback. The contraction at the end of the combustion chamber had a promoting influence on the process of vortex pairing, re-enforcing the influence of the trailing vortices over that of the recirculation vortex system, and thereby curbing the tendency to flashback. Provided that the flow velocity was low, however, the characteristic features of combustion instabilities leading to flashback in the absence of contraction could still be established in its presence.

Vaneveld, L.↗

DOE OSTI2024

Potential for light-induced separation of critical rare-earth elements

Current methods for separations of critical rare earth elements (REEs) require multi-step, waste-generating procedures that lack the ability to selectively separate similarly sized ions, despite such an onerous process. REEs possess unique optoelectronic properties that are often exploited for photomagnetic or photoluminescent applications but could be harnessed to drive element selective separations. Here, recent work exploring photochemical reactions of REE complexes points to promise for investigating alternative separations using photoactive molecules and macromolecular frameworks, highlighting a possible pathway towards realizing practical REE separations to increase the sustainability and longevity of mining and recycling these elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

A critical comparison of several low Reynolds number k-epsilon turbulence models for flow over a backward-facing step

Steffen, Christopher J., Jr.↗

DOE OSTI2021

Process Engineering to Increase the Layered Phase Concentration in the Immediate Products of Flame Spray Pyrolysis

Flame-spray-pyrolysis (FSP) is a robust and scalable process to synthesize particles at the commodity-scale. FSP has been used to produce the precursor powders which were converted to the layered structure $(R\bar{3m} \text { phase})$ by a postannealing step in making nickel-rich cathode materials (NCMs). Theoretically, the high flame temperature (normally >1500 K) in FSP can provide adequate energy for the phase conversion from rock-salt to layered structures and potentially enables one-step synthesis. However, the high flame temperature is a critical issue to cause lithium loss and structural degradation, preventing the formation of the layered phase. Here, guided by the gaseous nucleation theory, we implemented several FSP processes with different solution recipes. The layered phase concentration in the as-burned products can be increased with the solution enthalpies. By adding a rapid quench step to suppress the lithium loss and phase degradation, the layered phase can be further increased. This work contributes new ideas to innovating process regarding the process efficiency and throughput of manufacturing cathode materials at a large scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Classifying metal‐binding sites with neural networks

Abstract To advance our ability to predict impacts of the protein scaffold on catalysis, robust classification schemes to define features of proteins that will influence reactivity are needed. One of these features is a protein's metal‐binding ability, as metals are critical to catalytic conversion by metalloenzymes. As a step toward realizing this goal, we used convolutional neural networks (CNNs) to enable the classification of a metal cofactor binding pocket within a protein scaffold. CNNs enable images to be classified based on multiple levels of detail in the image, from edges and corners to entire objects, and can provide rapid classification. First, six CNN models were fine‐tuned to classify the 20 standard amino acids to choose a performant model for amino acid classification. This model was then trained in two parallel efforts: to classify a 2D image of the environment within a given radius of the central metal binding site, either an Fe ion or a [2Fe‐2S] cofactor, with the metal visible (effort 1) or the metal hidden (effort 2). We further used two sub‐classifications of the [2Fe‐2S] cofactor: (1) a standard [2Fe‐2S] cofactor and (2) a Rieske [2Fe‐2S] cofactor. The accuracy for the model correctly identifying all three defined features was >95%, despite our perception of the increased challenge of the metalloenzyme identification. This demonstrates that machine learning methodology to classify and distinguish similar metal‐binding sites, even in the absence of a visible cofactor, is indeed possible and offers an additional tool for metal‐binding site identification in proteins.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Hydropower potential derived from streamflow extremes for Alaska, USA

Alaska is an expansive region known for its abundant natural resources, including thousands of miles of streams and rivers. These rivers represent potential opportunities for future hydropower development that could provide reliable energy supply for local communities. There is limited long-term high temporal resolution streamflow data available for the region, making data-driven estimates of potential hydropower and its variability across the state challenging. This study provides a novel data-driven approach for hydropower capacity estimation across Alaska. We use supervised machine learning to develop a relationship between the daily and peak flow duration curves in order to augment the size of our dataset from 44 sites to 67 sites. We perform a stochastic hydropower estimation across the 67 sites and identify approximately 1000 MW of total potential hydropower capacity distributed across these sites. Our study provides the first step towards more comprehensive hydropower estimation for this critical region, highlighting the need for future work integrating high-resolution spatial data, community needs, and economic constraints in estimates of potential hydropower development in Alaska.

Hydropower↗