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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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At least 163 records · Page 9

Advanced Shuttle Strategies for Parallel QCCD Architectures

Trapped ions (TIs) are at the forefront of quantum computing implementation, offering unparalleled coherence, fidelity, and connectivity. However, the scalability of TI systems is hampered by the limited capacity of individual ion traps, necessitating intricate ion shuttling for advanced computational tasks. The quantum charge-coupled device (QCCD) framework has emerged as a promising solution, facilitating ion mobility for universal quantum computation. Current QCCD architectures predominantly feature a linear topology, which is increasingly recognized as inefficient for complex quantum operations. Anticipating the shift toward more efficacious designs, this article introduces an innovative quantum scheduling strategy optimized for parallel QCCD topologies. Our strategy proposes a probabilistic formula for ion movement, alongside ingenious methods for local layer generation and layer compression, yielding a significant reduction in ion shuttle times. Through simulations, we demonstrate that our strategy not only substantially outstrips the linear model but also exhibits better performance over other parallel strategies that employ greedy algorithms. This is achieved through our nuanced resolution of complexities, such as traffic blocks and trap capacity limitations. The consequent reduction in shuttle operations leads to lower energy consumption and an enhancement in the quantum computer's fidelity, ultimately accelerating program execution times.

43 PARTICLE ACCELERATORS↗

Advanced Extravehicular Mobility Unit Informatics Software Design

This is a description of the software design for the 2013 edition of the Advanced Extravehicular Mobility Unit (AEMU) Informatics computer assembly. The Informatics system is an optional part of the space suit assembly. It adds a graphical interface for displaying suit status, timelines, procedures, and caution and warning information. In the future it will display maps with GPS position data, and video and still images captured by the astronaut.

extravehicular mobility units↗

A Business Case for Nuclear Plant Control Room Modernization

This paper presents a generic business case for implementation of technology that supports Control Room Modernization (CRM). The analysis presented in two forms; 1) a standalone technology upgrade, and 2) a technology upgrade that is built upon and incremental to a prior business case created for Mobile Work Packages (MWP). The business case contends that advanced communication and networking and analytical technologies will allow NPP to conduct control room operations with improved focus by reducing human factors and redundant manpower, and therefore operate with fewer errors. While some labor savings can be harvested in terms of overtime, the majority of savings are demonstrated as reduced time to take the plant off line and bring back on line in support of outages. The benefits are quantified to a rough order of magnitude that provides directional guidance to NPPs that are interested in developing a similar business case. This business case focuses on modernization of the operator control room and does not consider a complete overhaul and modernization of a plants instrument and control systems. While operators may be considering such an investment at their plants, the sizable capital investment required is not likely supported by a cost/benefit analysis alone. More likely, it is driven by obsolescence and reliability issues, and requires consideration of mechanical condition of plant systems, capital depreciation, financing, relicensing and overall viability of the plant asset over a 20-year horizon in a competitive market. Prior studies [REF] have indicated that such a modernization of plant I&C systems, alone or as part of a larger modernization effort, can yield very significant reductions in O&M costs. However, the depth of research and analysis required to develop a meaningful business case for a plant modernization effort is well beyond the scope of this study. While CRM as considered in this study can be easily integrated as part of grander plant modernization effort, it can also be considered as a stand-alone project, implemented as a supervisorial layer over and above existing systems. CRM is enabled by a suite of technologies, which are described in further detail in the body of this report. They include: • Modernized control room with interactive displays • High-bandwidth wireless networks • Mobile devices • Component identification technology • Mobile wireless video cameras • Smart or task based operator displays • Computer-Based Procedures (CBP)/Automated Mobile Work Packages (MWP) • Intelligent plant configuration • Advanced data analytics An analysis was conducted to determine how these technologies might impact outage operations at an NPP. The analysis concluded that outage management capabilities would be improved with application of these technologies, and result in annual benefits for the plant. These improved capabilities were identified and described in further detail in this report. • Reduction in need redundant manpower (verification, etc) • Improved critical path shutdown and restart duration during outages • Reduction in human factors and errors • Remote watches • Paperless outage coordination • Bulk work optimization

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Performance evaluation of land mobile satellite system under vegetative shadowing using differential multiple TCM and QPSK

A comparative analysis by computer simulation of the land mobile satellite system (LMSS) is presented for the uncoded quadrature phase shift keying (QPSK), rate 2/3 8-PSK trellis coded modulation (TCM), and rate 4/6 multiplicity 2 8-PSK TCM schemes. An analytical model is used for simulating the fading channel. The simulation results show that under Rayleigh fades, the TCM designed for the fading channel is superior to uncoded QPSK and to the conventional TCM optimized for the additive white Gaussian noise (AWGN) channel. The performance of differentially detected TCM under AWGN and fading is examined based on the preliminary results. Results of the uncoded QPSK with fading channel modeled with the empirical fade data are given.

Kim, Junghwan↗

Synchrophasor Data Anomaly Detection on Grid Edge by 5G Communication and Adjacent Compute

The fifth-generation mobile communication (5G) technology offers the opportunities to enhance the grid real-time monitoring. The 5G-enabled phasor measurement units (PMUs) features flexible positioning and cost-effective long-term maintenance, without constraints of fixing wire. This paper is the first to demonstrate the applicability of 5G in PMU communication, and the experiment was carried out at Verizon non-standalone testbed at Pacific Northwest National Laboratory (PNNL) Advanced Wireless Communication lab. The performance of 5G-enabled PMU communication setup is reviewed and discussed in this paper, and the paper presents a real-time dynamic linear model (DML) based synchrophasor data anomaly detection application. Last but not least, the practicability of implementing 5G for wide-area protection strategies is explored and discussed by analyzing the experimental results.

5G, Synchrophasor data, machine learning, anomaly ↗

ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries

High throughput, comprehensive, and confident identifications of metabolites and other chemicals in biological and envi-ronmental samples will revolutionize our understanding of the role of these intriguing and chemically diverse molecules in biological systems. Despite recent technological advances, a metabolomics study still results in the detection of a dispropor-tionate number of features than cannot be confidently assigned to a chemical structure. This inadequacy is driven by the sin-gle most significant limitation in metabolomics: the reliance on reference libraries constructed through the analysis of au-thentic reference chemicals and the limited commercial availability of these compounds. To this end, we have developed the in silico chemical library engine (ISiCLE), a high-performance computing-friendly cheminformatics workflow for generating chemical properties. In the instantiation described here, we predict probable three-dimensional molecular conformers (i.e. conformational isomers) using chemical identifiers as input, from which collision cross sections (CCS) are derived. The ap-proach employs state-of-the-art first-principles simulation, distinguished by use of molecular dynamics, quantum chemistry, and ion mobility calculations to generate predictions, all without training data. Importantly, optimization of ISiCLE includ-ed a refactoring of the popular MOBCAL code for trajectory-based mobility calculations, improving its computational effi-ciency by over two orders of magnitude. Calculated CCS values were validated against 1,983 experimental CCS values and compared to previously reported CCS calculation approaches. Average CCS calculation absolute error is 3.2% with standard deviation 3.1%. An online database is introduced for sharing both calculated and experimental CCS values (metabolom-ics.pnnl.gov), initially including a CCS library with over 0.8M entries. Finally, three successful applications of molecule characterization using calculated CCS are described, including the identification of an environmental degradation product, the separation of molecular isomers, and the decoding of complex blinded mixtures of exposure chemicals. This work represents a promising method to address the limitations of small molecule identification, and offers alternatives to standards-based chemical identification amenable to high-performance computation.

metabolomics, standards-free, collision cross sect↗

A Customizable Metric to Provide a Comprehensive Picture of the Mobility Potential of a Location

Accessibility in a geo-spatial context refers to the ease of reaching a variety of opportunities from a given location. Accessibility theories (and resulting metrics) have traditionally focused on quantifying access to specific opportunities (such as jobs), or focused on specific modes (such as car, bike, etc.). Such approaches often fall short of providing a comprehensive picture of the true accessibility potential of a location as a combination of multiple modes to multiple types of destinations. Addressing this drawback, a novel metric labeled the ‘Mobility Energy Productivity (MEP) Metric’ was developed at the National Renewable Energy Laboratory to quantify the mobility potential of a location to connect people to goods, services, and employment using a variety of modes, while accounting for time, energy, and affordability. The MEP metric has been integrated with advance travel behavior models to compute the changes in mobility potential for various future scenarios, such as introduction of automated vehicles, and/or electric vehicles—but does so at the aggregate, or average-citizen level. The MEP in its initial iteration is not customized to the particular socio-economic contingents, or even to an individual whose modal availability or pattern of trip making may substantially differ from the average. Addressing this gap, this research effort extends the MEP framework from a static state to a more tailored and dynamic state, one in which an individual, or group can customize the metric for their unique characteristics, such as modes, activity patterns, and time-of-day preferences. The extended MEP metric framework can now be integrated to assess the customized mobility energy productivity of an individual.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

Investigating the Mobility of Light Autonomous Tracked Vehicles using a High Performance Computing Simulation Capability

This paper is concerned with the physics-based simulation of light tracked vehicles operating on rough deformable terrain. The focus is on small autonomous vehicles, which weigh less than 100 lb and move on deformable and rough terrain that is feature rich and no longer representable using a continuum approach. A scenario of interest is, for instance, the simulation of a reconnaissance mission for a high mobility lightweight robot where objects such as a boulder or a ditch that could otherwise be considered small for a truck or tank, become major obstacles that can impede the mobility of the light autonomous vehicle and negatively impact the success of its mission. Analyzing and gauging the mobility and performance of these light vehicles is accomplished through a modeling and simulation capability called Chrono::Engine. Chrono::Engine relies on parallel execution on Graphics Processing Unit (GPU) cards.

tracked vehicles↗

Improving the Capture and Re-Use of Data with Wearable Computers

At the Goddard Space Flight Center, members of the Real-Time Software Engineering Branch are developing a wearable, wireless, voice-activated computer for use in a wide range of crosscutting space applications that would benefit from having instant Internet, network, and computer access with complete mobility and hands-free operations. These applications can be applied across many fields and disciplines including spacecraft fabrication, integration and testing (including environmental testing), and astronaut on-orbit control and monitoring of experiments with ground based experimenters. To satisfy the needs of NASA customers, this wearable computer needs to be connected to a wireless network, to transmit and receive real-time video over the network, and to receive updated documents via the Internet or NASA servers. The voice-activated computer, with a unique vocabulary, will allow the users to access documentation in a hands free environment and interact in real-time with remote users. We will discuss wearable computer development, hardware and software issues, wireless network limitations, video/audio solutions and difficulties in language development.

Pfarr, Barbara↗

ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries

High throughput, comprehensive, and confident identifications of metabolites and other chemicals in biological and envi-ronmental samples will revolutionize our understanding of the role of these intriguing and chemically diverse molecules in biological systems. Despite recent technological advances, a metabolomics study still results in the detection of a dispropor-tionate number of features than cannot be confidently assigned to a chemical structure. This inadequacy is driven by the sin-gle most significant limitation in metabolomics: the reliance on reference libraries constructed through the analysis of au-thentic reference chemicals and the limited commercial availability of these compounds. To this end, we have developed the in silico chemical library engine (ISiCLE), a high-performance computing-friendly cheminformatics workflow for generating chemical properties. In the instantiation described here, we predict probable three-dimensional molecular conformers (i.e. conformational isomers) using chemical identifiers as input, from which collision cross sections (CCS) are derived. The ap-proach employs state-of-the-art first-principles simulation, distinguished by use of molecular dynamics, quantum chemistry, and ion mobility calculations to generate predictions, all without training data. Importantly, optimization of ISiCLE includ-ed a refactoring of the popular MOBCAL code for trajectory-based mobility calculations, improving its computational effi-ciency by over two orders of magnitude. Calculated CCS values were validated against 1,983 experimental CCS values and compared to previously reported CCS calculation approaches. Average CCS calculation absolute error is 3.2% with standard deviation 3.1%. An online database is introduced for sharing both calculated and experimental CCS values (metabolom-ics.pnnl.gov), initially including a CCS library with over 0.8M entries. Finally, three successful applications of molecule characterization using calculated CCS are described, including the identification of an environmental degradation product, the separation of molecular isomers, and the decoding of complex blinded mixtures of exposure chemicals. This work represents a promising method to address the limitations of small molecule identification, and offers alternatives to standards-based chemical identification amenable to high-performance computation.

Colby, Sean M↗

Insights Into On-Demand Transit: A Case Study of Houston METRO's curb2curb Service

As modern on-demand transit (ODT) deployments increase, the insights gained from studying real-world systems prove more useful. In this study, a shared ODT system called "METRO curb2curb" in the suburbs of Houston, Texas was studied, with a particular focus on the Missouri City zone, which has the highest ridership out of the four total zones. The Missouri City zone is 18 square miles with an average daily ridership of nearly 400 as of November 2024. In order to gain a passenger perspective, data collection was performed through using the ODT system first-hand, completing 50 rides in March and April of 2023. These rides included a mix of three different types of on-demand travel accommodations - 1.) advance bookings (30 min - 2 hours ahead), 2.) as-soon-as-possible / real-time dispatch bookings, and 3.) no-reservation trips at two designated "anchor points." Wait and travel time were collected for each ride. Anecdotal findings related to ease of locating the driver/vehicle, the process of booking a ride, and popular trip purposes were also documented. This study provides an overview of the METRO curb2curb system, including its history, service provider, service area, ridership, booking options, wait time, and travel time. Intricacies related to different definitions of wait time are included. Finally, relevant considerations for automating the on-demand transit system and discussed.

33 ADVANCED PROPULSION SYSTEMS↗

Simulation of mixed-host emitting layer based organic light emitting diodes

‘SimOLED’ simulator is used in this work to investigate the efficiency of the mixed-host organic light emitting devices (MH-OLEDs). Tris-(8-hydroxyquinoline) aluminum(3) (Alq{sub 3}) and N,N-diphenyl-N,N-Bis(3-methylphenyl)-1,1-diphenyl-4,4-diamine (TPD) are used as the electron transport layer (ETL) material and hole transport layer (HTL) material respectively, and the indium-doped tin oxide (ITO) and aluminum (Al) as anode and cathode. Three MH-OLEDs, A, B and C with the same structure of ITO / HTM (15 nm) / Mixed host (70 nm) / ETM (10 nm) /Al, are stimulated with ratios TPD:Alq{sub 3} of 3:5, 5:5, and 5:3 respectively. The Poole-Frenkel model for electron and hole mobilities is employed to compute the current density-applied voltage-luminance characteristics, distribution of the electric field, carrier concentrations and recombination rate.

36 MATERIALS SCIENCE↗

NLR Core Modeling & Decision Support Capabilities: FASTSim, RouteE, T3CO & OpenPATH

This project is part of the program area to develop and improve core capabilities for the Energy-Efficient Mobility Systems (EEMS) program that enable research, development and deployment of advanced mobility solutions and enhance the EEMS Program's ability to address system-level transportation challenges. Advancements to the Future Automotive Systems Technology Simulator (FASTSim), Route Energy Prediction Model (RouteE), Transportation Technology Total Cost of Ownership (T3CO) and Open Platform for Agile Trip Heuristics (OpenPATH) core capabilities under this project supports the overall EEMS Program goals to effectively evaluate energy and mobility impacts of future transportation technologies and services, and to identify the most promising pathways to reduce transportation costs and environmental harms, and to improve mobility access. This presentation was prepared for the 2026 Annual Merit Review of this project.

33 ADVANCED PROPULSION SYSTEMS↗

Computational Analysis of a Quiet Single-Main Rotor Helicopter for Air Taxi Operations

A computational study has been done on NASA’s quiet single-main rotor helicopter concept for urban air mobility using high-fidelity computational fluid dynamics, rotorcraft comprehensive analysis tools, and computational aeroacoustics. High-order accurate schemes, dual-time stepping, and the delayed detached-eddy simulation model have been employed. A loose-coupling approach between the flow solver and the rotorcraft comprehensive code is implemented to include vehicle trim and blade motions. Acoustic simulations based on the Ffowcs-Williams and Hawkings equations have been performed to compute the rotor noise. Different blade geometries and tip speeds are analyzed, and performance and acoustics results are compared. The vehicle has been simulated in hover and cruise, with flight conditions representative of an air taxi mission. The quiet single-main rotor helicopter is one of the conceptual designs intended to focus and guide NASA’s research activities in support of aircraft development for vertical take-off and landing air taxi operations.

ARMD↗

Human Initiated Cascading Failures in Societal Infrastructures

In this paper, we conduct a systematic study of human-initiated cascading failures in three critical inter-dependent societal infrastructures due to behavioral adaptations in response to a crisis. We focus on three closely coupled socio-technical networks here: (i) cellular and mesh networks, (ii) transportation networks and (iii) mobile call networks. In crises, changes in individual behaviors lead to altered travel, activity and calling patterns, which influence the transport network and the loads on wireless networks. The interaction between these systems and their co-evolution poses significant technical challenges for representing and reasoning about these systems. In contrast to system dynamics models for studying these interacting infrastructures, we develop interaction-based models in which individuals and infrastructure elements are represented in detail and are placed in a common geographic coordinate system. Using the detailed representation, we study the impact of a chemical plume that has been released in a densely populated urban region. Authorities order evacuation of the affected area, and this leads to individual behavioral adaptation wherein individuals drop their scheduled activities and drive to home or pre-specified evacuation shelters as appropriate. They also revise their calling behavior to communicate and coordinate among family members. These two behavioral adaptations cause flash-congestion in the urban transport network and the wireless network. The problem is exacerbated with a few, already occurring, road closures. We analyze how extended periods of unanticipated road congestion can result in failure of infrastructures, starting with the servicing base stations in the congested area. A sensitivity analysis on the compliance rate of evacuees shows non-intuitive effect on the spatial distribution of people and on the loading of the base stations. For example, an evacuation compliance rate of 70% results in higher number of overloaded base stations than the evacuation compliance rate of 90%.

97 MATHEMATICS AND COMPUTING↗