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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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Multiscale simulation of integrated energy system and electricity market interactions

Accelerating the deep decarbonization of the world's electric grids requires the coordination of complex energy systems and infrastructures across timescales from seconds to decades. Here, we present a new multiscale simulation framework that integrates process- and grid-centric modeling paradigms to better design, operate, and control integrated energy systems (IESs), which combine multiple technologies, in wholesale energy markets. Traditionally, IESs are analyzed with a process-centric paradigm such as levelized cost of electricity (LCOE) or annualized net revenue, ignoring important interactions with electricity markets. This framework explicitly models the complex interactions between an IES's bidding, scheduling, and control decisions and the energy market's clearing and settlement processes, while incorporating operational uncertainties. Through two case studies, we show the importance of understanding and quantifying complex resource-grid interactions. In case study 1, we demonstrate that optimized bidding from one resource shifts the profit distribution for all energy systems in the market. This result suggests new and more flexible IES technologies can disrupt the economics of all market participants, possibly leading to accelerated retirements of less flexible resources. Interestingly, the optimized bidding has little impact on grid-level aggregate statistics, such as total generation costs and renewable penetration rate. While aggregate modeling strategies may remain valid under some IES adoption scenarios for analysis focused on regional outcomes, direct comparisons of IES technologies at specific locations without considering these interactions may lead to misleading or incorrect conclusions. In case study 2, we consider the design and flexible operation of IESs that hybridize conventional generators with energy storage. Through a sensitivity analysis, we find that as the size of the storage system increases, the total number of start-ups for coal- and natural gas-based IESs reduced by 25% and 33.6%, and the total thermal generator ramping (i.e., mileage) reduced by 86.5% and 62.5%, respectively. This shows the primary benefit of storage may not be reduced operational costs (which do not change significantly) but fewer start-ups and less ramping, which may greatly simplify the design, operation, and control of carbon capture systems. The new modeling and optimization capabilities from this work enable the coupling of rigorous, dynamic process models with grid-level production cost models to quantitatively identify the nuanced interdependencies across these vast timescales that must be addressed to realize clean, safe, and secure energy production. Moreover, the proposed general multiscale simulation framework is applicable to all IES technologies and can be easily extended to consider other energy carriers (e.g., hydrogen, ammonia) and energy infrastructures (e.g., natural gas pipelines).

24 POWER TRANSMISSION AND DISTRIBUTION↗

Demonstrate Thermal Property Measurement on Irradiated Fuel in IMCL

In order to assist in the post-irradiated measurement of thermal conductivity, the Advanced Fuels Campaign (AFC) of the DOE’s Nuclear Technology Research and Development (NTRD) program has invested in the design and build of a thermal conductivity microscope (TCM) system [3] based upon thermoreflectance methods. The TCM was installed into the Thermal Properties Cell (TPC) in the Irradiated Materials Characterization Laboratory at the Idaho National Laboratory’s (INL) Materials and Fuels Complex (MFC) in December 2018. In addition to the TCM, a Netzsch Laser Flash analyzer (LFA) instrument (model LFA427HC) was designed and built via vendor contract and installed into the TPC in April 2019. These instruments were specifically designed for the measurement of thermal conductivity and diffusivity on irradiated fuels and materials. The TPC began radiological operations on September 12, 2019. In order to demonstrate the successful installation of this new measurement capability the U-Zr fuel system, specifically U-10 wt.% Zr, was chosen as the first material to be evaluated due to its importance to the NTRD program. The results of the first four measurements conducted in the TPC on the LFA and the TCM are given in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SAGIPS: a physics-inspired scalable asynchronous generative inverse-problem solver

Abstract Solving large-scale inverse problems using deep-learning algorithms have become an essential part of modern research and industrial applications. The complexity of the underlying inverse problem may require the utilization of high performance computing systems which poses a challenge on the algorithmic design of the inverse problem solver. Most deep learning algorithms require, due to their design, custom parallelization techniques in order to be resource efficient while showing a reasonable convergence. In this paper we introduce a S calable A synchronous G enerative I nverse P roblem S olver (SAGIPS) on high-performance computing systems. We present a workflow that utilizes an asynchronous ring-allreduce algorithm to transfer the gradients of the generator network across multiple GPUs. Experiments with a scientific proxy application demonstrate that SAGIPS shows near linear weak scaling, together with a convergence quality that is comparable to traditional methods. The approach presented here allows leveraging Generative Adverserial Network across multiple GPUs, promising advancements in solving complex inverse problems at scale.

97 MATHEMATICS AND COMPUTING↗

Direct Aerobic Generation of a Ferric Hydroperoxo Intermediate Via a Preorganized Secondary Coordination Sphere

Enzymes exert control over the reactivity of metal centers with precise tuning of the secondary coordination sphere of active sites. One particularly elegant illustration of this principle is in the controlled delivery of proton and electron equivalents in order to activate abundant but kinetically inert oxidants such as O 2 for oxidative chemistry. Chemists have drawn inspiration from biology in designing molecular systems where the secondary coordination sphere can shuttle protons or electrons to substrates. However, a biomimetic activation of O 2 requires the transfer of both protons and electrons, and molecular systems where ancillary ligands are designed to provide both of these equivalents are comparatively rare. Here, we report the use of a dihydrazonopyrrole (DHP) ligand complexed to Fe to perform exactly such a biomimetic activation of O 2 . In the presence of O 2 , this complex directly generates a high spin Fe(III)-hydroperoxo intermediate which features a DHP• ligand radical via ligand-based transfer of an H atom. This system displays oxidative reactivity and ultimately releases hydrogen peroxide, providing insight on how secondary coordination sphere interactions influence the evolution of oxidizing intermediates in Fe-mediated aerobic oxidations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automatically Finding the Control Variables for Complex System Behavior

Testing large-scale systems is expensive in terms of both time and money. Running simulations early in the process is a proven method of finding the design faults likely to lead to critical system failures, but determining the exact cause of those errors is still time-consuming and requires access to a limited number of domain experts. It is desirable to find an automated method that explores the large number of combinations and is able to isolate likely fault points. Treatment learning is a subset of minimal contrast-set learning that, rather than classifying data into distinct categories, focuses on finding the unique factors that lead to a particular classification. That is, they find the smallest change to the data that causes the largest change in the class distribution. These treatments, when imposed, are able to identify the factors most likely to cause a mission-critical failure. The goal of this research is to comparatively assess treatment learning against state-of-the-art numerical optimization techniques. To achieve this, this paper benchmarks the TAR3 and TAR4.1 treatment learners against optimization techniques across three complex systems, including two projects from the Robust Software Engineering (RSE) group within the National Aeronautics and Space Administration (NASA) Ames Research Center. The results clearly show that treatment learning is both faster and more accurate than traditional optimization methods.

Gay, Gregory↗

Demonstration of a Safety Analysis on a Complex System

For the past 17 years, Professor Leveson and her graduate students have been developing a theoretical foundation for safety in complex systems and building a methodology upon that foundation. The methodology includes special management structures and procedures, system hazard analyses, software hazard analysis, requirements modeling and analysis for completeness and safety, special software design techniques including the design of human-machine interaction, verification, operational feedback, and change analysis. The Safeware methodology is based on system safety techniques that are extended to deal with software and human error. Automation is used to enhance our ability to cope with complex systems. Identification, classification, and evaluation of hazards is done using modeling and analysis. To be effective, the models and analysis tools must consider the hardware, software, and human components in these systems. They also need to include a variety of analysis techniques and orthogonal approaches: There exists no single safety analysis or evaluation technique that can handle all aspects of complex systems. Applying only one or two may make us feel satisfied, but will produce limited results. We report here on a demonstration, performed as part of a contract with NASA Langley Research Center, of the Safeware methodology on the Center-TRACON Automation System (CTAS) portion of the air traffic control (ATC) system and procedures currently employed at the Dallas/Fort Worth (DFW) TRACON (Terminal Radar Approach CONtrol). CTAS is an automated system to assist controllers in handling arrival traffic in the DFW area. Safety is a system property, not a component property, so our safety analysis considers the entire system and not simply the automated components. Because safety analysis of a complex system is an interdisciplinary effort, our team included system engineers, software engineers, human factors experts, and cognitive psychologists.

Leveson, Nancy↗

Design Space Exploration of Emerging Memory Technologies for Machine Learning Applications

Memory design space exploration methods study memory systems’ performances and limitations before implementation. The computer memory design space has grown exponentially because of the enormous growth of memory types, memory controllers, and application software. Computer simulators are commonly used for memory design space exploration. However, complex memory simulations take an enormous amount of time. Hence, in this paper, we proposed a machine learning-based design space exploration method for dynamic random-access memory and non-volatile memory systems. We applied our method to the CosmoGAN and LeNet applications to predict the following six memory response parameters: (i) bandwidth, (ii) power, (iii) average latency, (iv) average total latency, (v) memory reads, and (vi) memory writes. Our experimental results show that machine learning models can predict memory response parameter values faster than simulations. We used support vector machine, random forest, and gradient boosting machine learning models. We observed that the support vector machine provides better performance for bandwidth, average latency, and average total latency. The random forest model works better for memory reads and writes. The gradient boosting model provides superior prediction performance for power. We provide a detailed discussion on learning curve characteristics, error analysis, and memory type recommendation.

Hasan, S M Shamimul↗

An integrated approach to rotorcraft human factors research

As the potential of civil and military helicopters has increased, more complex and demanding missions in increasingly hostile environments have been required. Users, designers, and manufacturers have an urgent need for information about human behavior and function to create systems that take advantage of human capabilities, without overloading them. Because there is a large gap between what is known about human behavior and the information needed to predict pilot workload and performance in the complex missions projected for pilots of advanced helicopters, Army and NASA scientists are actively engaged in Human Factors Research at Ames. The research ranges from laboratory experiments to computational modeling, simulation evaluation, and inflight testing. Information obtained in highly controlled but simpler environments generates predictions which can be tested in more realistic situations. These results are used, in turn, to refine theoretical models, provide the focus for subsequent research, and ensure operational relevance, while maintaining predictive advantages. The advantages and disadvantages of each type of research are described along with examples of experimental results.

Hart, Sandra G.↗

Asynchronous Message Service Reference Implementation

This software provides a library of middleware functions with a simple application programming interface, enabling implementation of distributed applications in conformance with the CCSDS AMS (Consultative Committee for Space Data Systems Asynchronous Message Service) specification. The AMS service, and its protocols, implement an architectural concept under which the modules of mission systems may be designed as if they were to operate in isolation, each one producing and consuming mission information without explicit awareness of which other modules are currently operating. Communication relationships among such modules are self-configuring; this tends to minimize complexity in the development and operations of modular data systems. A system built on this model is a society of generally autonomous, inter-operating modules that may fluctuate freely over time in response to changing mission objectives, modules functional upgrades, and recovery from individual module failure. The purpose of AMS, then, is to reduce mission cost and risk by providing standard, reusable infrastructure for the exchange of information among data system modules in a manner that is simple to use, highly automated, flexible, robust, scalable, and efficient. The implementation is designed to spawn multiple threads of AMS functionality under the control of an AMS application program. These threads enable all members of an AMS-based, distributed application to discover one another in real time, subscribe to messages on specific topics, and to publish messages on specific topics. The query/reply (client/server) communication model is also supported. Message exchange is optionally subject to encryption (to support confidentiality) and authorization. Fault tolerance measures in the discovery protocol minimize the likelihood of overall application failure due to any single operational error anywhere in the system. The multi-threaded design simplifies processing while enabling application nodes to operate at high speeds; linked lists protected by mutex semaphores and condition variables are used for efficient, inter-thread communication. Applications may use a variety of transport protocols underlying AMS itself, including TCP (Transmission Control Protocol), UDP (User Datagram Protocol), and message queues.

Burleigh, Scott C.↗

Survey and Assessment of Crew Performance Evaluation Methods Applicable to Human Spacecraft Design

Space is an unforgiving environment where the actions of the crew play a critical role in their health and safety. Given the limited number of crewmembers typically onboard a spacecraft and the multitude of complex systems they must operate, the performance of each individual is of paramount importance. Spacecraft habitat layout and operations are two main drivers affecting crew performance efficiency. Having the capability to analyze and compare crew performance across various spacecraft configurations can help identify improvements early in the conceptual design process where changes are less costly to implement, ultimately reducing overall project costs and improving long-term operations of the system. Currently, there are few comprehensive methods readily available for evaluating crew integration within a spacecraft in the conceptual design phase. In order to address this shortcoming, the goal of this work was to analyze various specialized evaluation methods found in analogous industries that have potential application to human spacecraft design. A survey of more than 400 human performance evaluation methods was completed. Over twenty different attributes were identified for each method and a variety of analyses were conducted to characterize and evaluate their potential use for assessing human spacecraft design options. The analysis revealed a particular deficiency of quantitative evaluation methods that are applicable early in the systems engineering design phase. It also identified five existing methods that could be supplemented to achieve the needs of an early design evaluation method. Additional discussion describes potential issues that must be overcome when developing a method specific for use in human spacecraft evaluations.

crew performance↗

A Gaussian Process Enhancement to Linear Parameter Varying Models

Simulation and analysis for modern engineering systems now routinely requires the merging of multiple disciplines, physical-domains, time-scales, and data sets — all at ever increasing levels. These capabilities are especially needed in the domain of Advanced Air Mobility, where rapidly emerging vehicle designs are significantly more complex, while having to be both cost-effective and safe. To meet these engineering challenges, machine learning methods are an attractive option for merging models and data across multiple areas while providing uncertainty quantification and maintaining computational efficiency. This paper examines the use of Gaussian process machine learning to generalize and enhance the commonly used class of quasi-Linear Parameter Varying models for fast full-envelope simulation while also supporting control system design and analysis with model uncertainty. Gaussian process machine learning is selected because it: can fuse multiple data sets, enables an easy trade-off between data fitting and smoothing, provides model uncertainty quantification, scales well with increasing complexity, and does not generally require starting from a large training data set. To demonstrate the benefits of the approach, a robust stability analysis with Gaussian process uncertainty is shown for a NASA reference design of an electric quad-rotor air-taxi concept vehicle with motor parameter uncertainty.

Gaussian Process↗

Conceptual design of the modular detector and readout system for the CMB-S4 survey experiment

We present the conceptual design of the modular detector and readout system for the Cosmic Microwave Background – Stage four (CMB-S4) ground-based survey experiment. CMB-S4 will map the cosmic microwave background (CMB) and the millimeter-wave sky to unprecedented sensitivity, using 500,000 superconducting detectors observing from Chile and Antarctica to map over 60% of the sky. The fundamental building block of the detector and readout system is a detector module package operated at 100 mK, which is connected to a readout and amplification chain that carries signals out to room temperature. It uses arrays of feedhorn-coupled orthomode transducers (OMT) that collect optical power from the sky onto dc-voltage-biased transition-edge sensor (TES) bolometers. The resulting current signal in the TESs is then amplified by a two-stage cryogenic Superconducting Quantum Interference Device (SQUID) system with a time-division multiplexer to reduce wire count, and matching room-temperature electronics to condition and transmit signals to the data acquisition system. Sensitivity and systematics requirements are being developed for the detector and readout system over wide range of observing bands (20 to 300 GHz) and optical powers to accomplish CMB-S4’s science goals. While the design incorporates the successes of previous generations of CMB instruments, CMB-S4 requires an order of magnitude more detectors than any prior experiment. This requires fabrication of complex superconducting circuits on over 10 m2 of silicon, as well as significant amounts of precision wiring, assembly and cryogenic testing

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A historical perspective of the YF-12A thermal loads and structures program

Around 1970, the Y-F-12A loads and structures efforts focused on numerous technological issues that needed defining with regard to aircraft that incorporate hot structures in the design. Laboratory structural heating test technology with infrared systems was largely created during this program. The program demonstrated the ability to duplicate the complex flight temperatures of an advanced supersonic airplane in a ground-based laboratory. The ability to heat and load an advanced operational aircraft in a laboratory at high temperatures and return it to flight status without adverse effects was demonstrated. The technology associated with measuring loads with strain gages on a hot structure was demonstrated with a thermal calibration concept. The results demonstrated that the thermal stresses were significant although the airplane was designed to reduce thermal stresses. Considerable modeling detail was required to predict the heat transfer and the corresponding structural characteristics. The overall YF-12A research effort was particularly productive, and a great deal of flight, laboratory, test and computational data were produced and cross-correlated.

Jenkins, Jerald M.↗

Ad Hoc modeling, expert problem solving, and R&T program evaluation

A simplified cost and time (SCAT) analysis program utilizing personal-computer technology is presented and demonstrated in the case of the NASA-Goddard end-to-end data system. The difficulties encountered in implementing complex program-selection and evaluation models in the research and technology field are outlined. The prototype SCAT system described here is designed to allow user-friendly ad hoc modeling in real time and at low cost. A worksheet constructed on the computer screen displays the critical parameters and shows how each is affected when one is altered experimentally. In the NASA case, satellite data-output and control requirements, ground-facility data-handling capabilities, and project priorities are intricately interrelated. Scenario studies of the effects of spacecraft phaseout or new spacecraft on throughput and delay parameters are shown. The use of a network of personal computers for higher-level coordination of decision-making processes is suggested, as a complement or alternative to complex large-scale modeling.

Silverman, B. G.↗

Evolution of Software-Only-Simulation at NASA IV and V

Software-Only-Simulations have been an emerging but quickly developing field of study throughout NASA. The NASA Independent Verification Validation (IVV) Independent Test Capability (ITC) team has been rapidly building a collection of simulators for a wide range of NASA missions. ITC specializes in full end-to-end simulations that enable developers, VV personnel, and operators to test-as-you-fly. In four years, the team has delivered a wide variety of spacecraft simulations that have ranged from low complexity science missions such as the Global Precipitation Management (GPM) satellite and the Deep Space Climate Observatory (DSCOVR), to the extremely complex missions such as the James Webb Space Telescope (JWST) and Space Launch System (SLS).This paper describes the evolution of ITCs technologies and processes that have been utilized to design, implement, and deploy end-to-end simulation environments for various NASA missions. A comparison of mission simulators are discussed with focus on technology and lessons learned in complexity, hardware modeling, and continuous integration. The paper also describes the methods for executing the missions unmodified flight software binaries (not cross-compiled) for verification and validation activities.

Embedded↗

The GuideView System for Interactive, Structured, Multi-modal Delivery of Clinical Guidelines

GuideView is a computerized clinical guideline system which delivers clinical guidelines in an easy-to-understand and easy-to-use package. It may potentially enhance the quality of medical care or allow non-medical personnel to provide acceptable levels of care in situations where physicians or nurses may not be available. Such a system can be very valuable during space flight missions when a physician is not readily available, or perhaps the designated medical personnel is unable to provide care. Complex clinical guidelines are broken into simple steps. At each step clinical information is presented in multiple modes, including voice,audio, text, pictures, and video. Users can respond via mouse clicks or via voice navigation. GuideView can also interact with medical sensors using wireless or wired connections. The system's interface is illustrated and the results of a usability study are presented.

Iyengar, Sriram↗

Design of light- and chemically responsive protein assemblies through host-guest interactions

Host-guest (HG) interactions have been widely used to build responsive materials and molecular machines owing to their inherently dynamic nature, interaction specificity, and responsiveness to diverse stimuli. Here, in this work, we have set out to exploit these advantages of HG chemistry in the design of dynamic protein assemblies, using a C 4 symmetric protein, C98 RhuA, as a building block. We show that a C98 RhuA variant individually modified with β-cyclodextrin (βCD) (host) or azobenzene (guest) functionalities can specifically pair with each other to form highly ordered 1D and 2D assemblies. Association and dissociation of βCD RhuA- azo RhuA assemblies can be controlled by UV and visible light as well as by small-molecule modulators of βCD-azobenzene interactions. Kinetics analyses reveal that βCD RhuA- azo RhuA nanotubes assemble without a nucleation barrier, a highly unusual occurrence for helical supramolecular systems. Taken together, our findings provide a compelling example for achieving complex structural and dynamic outcomes in protein assembly through simple chemical design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The ASSIST: Bringing Information and Software Together for Scientists

The ASSIST was developed as a step toward overcoming the problems faced by researchers when trying to utilize complex and often conflicting astronomical data analysis systems. It implements a uniform graphical interface to analysis systems, documentation, data, and organizational memory. It is layered on top of the Answer Garden Substrate (AGS), a system specially designed to facilitate the collection and dissemination of organizational memory. Under the AISRP program, we further developed the ASSIST to make it even easier for researchers to overcome the difficulties of accessing software and information in a complex computer environment.

Mandel, Eric↗