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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 379 records · Page 21

Atoms to Aircraft to Spacecraft

The next generation of aerospace systems requires materials and structures that combine high performance at high utilization in short missions with the possibility of high rate production, without excessive non-recurring cost, to allow for rate flexibility and shorter structural life cycles. The development of materials and structures that offer this flexibility in rate without negatively influencing performance and economic viability will require a matching and overlapping experimental and computational design approach. The objective is to go from Atom to Airframe to Spaceframe for thermoplastic unidirectional tape based fastener-free assemblies. Thermoplastic composites are chosen as the focus because these materials allow for reversible fusion bonding in every stage of their life cycle after synthesis. Our strategy is to combine multi-scale computational approaches with multi-scale experimental activities to develop an understanding of and capabilities to manufacture custom unidirectional thermoplastic tape. This tape will be the basis for our high-rate multiple-technology manufacturing approach validated by the production of two representative demonstrators for urban air mobility vehicle structures. The multi-disciplinary team will work in an integrated manner to effectively combine computational approaches with experimental approaches at each stage of characteristic manufacturing flows. The team aims for tools and technology to quantify the thermo-rheological aspects of unidirectional tape-based production and assembly of aerospace quality thermoplastic components as well as for validated tools for unidirectional tape-based thermoplastic preform and part design and manufacture. The work will be used to design and build two demonstration structural parts characteristic for urban air mobility vehicles.

Paul Ziehl↗

On the origin of the two-dimensional electron gas at AlGaN/GaN heterojunctions and its influence on recessed-gate metal-insulator-semiconductor high electron mobility transistors

It is commonly accepted that interface states at the passivation surface of AlGaN/GaN heterostructures play an important role in the formation of the 2DEG density. Several interface state models are cited throughout literature, some with discrete levels, others with different kinds of distributions, or a combination of both. The purpose of this article is to compare the existing interface state models with both direct and indirect measurements of these interface states from literature (e.g., through the hysteresis of transfer characteristics of Metal-Insulator-Semiconductor High Electron Mobility Transistors (MISHEMTs) employing such an interface in the gate region) and Technology Computer Aided Design (TCAD) simulations of 2DEG densities as a function of the AlGaN thickness. The discrepancies between those measurements and TCAD simulations (also those commonly found in literature) are discussed. Then, an alternative model inspired by the Disorder Induced Gap State model for compound semiconductors is proposed. It is shown that defining a deep border trap inside the insulator can solve these discrepancies and that this alternative model can explain the origin of the two dimensional electron gas in combination with a high-quality interface that, by definition, has a low interface state density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluating Time Varying Connectivities and System Throughput in Opportunistic Networks for Smart Grid Applications

With increasing proliferation of smart phones, there is an opportunity to employ mobile ad hoc networks to connect to distributed energy assets located in remote areas. With embedded intelligence and edge computing capabilities, autonomous ‘edge control nodes’ can enable a decentralized energy nexus, without the need for on-demand communications. Authors have developed an opportunistic networking framework using Bluetooth Low Energy and a specialized mobile phone application that enables delay tolerant networking for the above framework. Here, this paper presents the analysis of time varying graph connectivity for such an opportunistic mobile ad hoc network. Dependence of connectivity on different network parameters such as radio characteristics, the mobility of data mules and parameters governing how connections are established are explored. Simulation results showing the variation of above trends have been presented.

Bluetooth↗

Seasonal Patterns in Mobile Colistin Resistance Gene Variants in Wastewater Bioaerosols and Liquid Sludge

To address the growing threat of global antimicrobial resistance, a one-health approach is needed to understand the complex socioecological cycling of antibiotic resistance genes. In this study, a metagenomics approach using DNA shotgun sequencing, metagenome assembly, and antibiotic resistance gene (ARG) annotation was used to examine seasonal patterns in the abundance of mobile colistin resistance (mcr) gene variants in bioaerosols and liquid sludge in three wastewater treatment plants (WWTPs). ARGs represented 0.2–0.8 and 0.1–0.2% of the bioaerosol and liquid sludge metagenomes, respectively, while mcr genes represented 0–0.3 and 0–0.5% of the identified ARGs in bioaerosol and liquid sludge metagenomes. Seven of the ten known mcr variants were detected in wastewater bioaerosol and liquid samples, with mcr-5 and mcr-8 being the most prevalent across all seasons and sites. Furthermore, additional functional and taxonomic annotation of mcr-containing metagenomic contigs showed that mcr genes were often located on contigs with other co-occurring ARGs and mobile genetic elements and may be harbored by opportunistic human pathogens and other bacterial taxa not previously associated with mcr genes. Atmospheric dispersion modeling showed that mcr-containing bioaerosols can be transported kilometers away from the WWTPs, resulting in the possible dissemination of these ARGs into surrounding environments and communities.

Antimicrobial agents↗

Crustal dynamics project data analysis, 1991: VLBI geodetic results, 1979 - 1990

The Goddard VLBI group reports the results of analyzing 1412 Mark II data sets acquired from fixed and mobile observing sites through the end of 1990 and available to the Crustal Dynamics Project. Three large solutions were used to obtain Earth rotation parameters, nutation offsets, global source positions, site velocities, and baseline evolution. Site positions are tabulated on a yearly basis from 1979 through 1992. Site velocities are presented in both geocentric Cartesian coordinates and topocentric coordinates. Baseline evolution is plotted for 175 baselines. Rates are computed for earth rotation and nutation parameters. Included are 104 sources, 88 fixed stations and mobile sites, and 688 baselines.

Ma, C.↗

FPGA Implementation of Stereo Disparity with High Throughput for Mobility Applications

High speed stereo vision can allow unmanned robotic systems to navigate safely in unstructured terrain, but the computational cost can exceed the capacity of typical embedded CPUs. In this paper, we describe an end-to-end stereo computation co-processing system optimized for fast throughput that has been implemented on a single Virtex 4 LX160 FPGA. This system is capable of operating on images from a 1024 x 768 3CCD (true RGB) camera pair at 15 Hz. Data enters the FPGA directly from the cameras via Camera Link and is rectified, pre-filtered and converted into a disparity image all within the FPGA, incurring no CPU load. Once complete, a rectified image and the final disparity image are read out over the PCI bus, for a bandwidth cost of 68 MB/sec. Within the FPGA there are 4 distinct algorithms: Camera Link capture, Bilinear rectification, Bilateral subtraction pre-filtering and the Sum of Absolute Difference (SAD) disparity. Each module will be described in brief along with the data flow and control logic for the system. The system has been successfully fielded upon the Carnegie Mellon University's National Robotics Engineering Center (NREC) Crusher system during extensive field trials in 2007 and 2008 and is being implemented for other surface mobility systems at JPL.

Random access memory↗

Refined Analysis of CO2 Emissions in Urban Air Mobility Networks

In this study, we examine the environmental impact of Urban Air Mobility (UAM) operations as measured via carbon dioxide (CO2) emissions by leveraging a computational model from previous studies that has been refined and expanded. Several scenarios are examined in which total transportation emissions for a representative day in a metro area are distributed differently among vehicle types and transportation modes. Specifically, we investigate the use of electric air vehicles in a UAM network; the increasing presence of electric ground vehicles for ground transportation; the impacts from implementing ridesharing in the UAM mode; and the effects of varying the electricity grid emissions. Results for a case study in the Chicago, IL metro area indicate that incorporating electric ground vehicles and UAM ridesharing can both lead to reduced CO2 emissions. These preliminary results indicate that carbon emissions from a UAM system leveraging ridesharing and all-electric aircraft may not be a practical operational limit on UAM, though further improvements to the modeling are warranted.

advanced air mobility↗

Refined Analysis of CO2 Emissions in Urban Air Mobility Networks

In this study, we examine the environmental impact of Urban Air Mobility (UAM) operations as measured via carbon dioxide (CO2) emissions by leveraging a computational model from previous studies that has been refined and expanded. Several scenarios are examined in which total transportation emissions for a representative day in a metro area are distributed differently among vehicle types and transportation modes. Specifically, we investigate the use of electric air vehicles in a UAM network; the increasing presence of electric ground vehicles for ground transportation; the impacts from implementing ridesharing in the UAM mode; and the effects of varying the electricity grid emissions. Results for a case study in the Chicago, IL metro area indicate that incorporating electric ground vehicles and UAM ridesharing can both lead to reduced CO2 emissions. These preliminary results indicate that carbon emissions from a UAM system leveraging ridesharing and all-electric aircraft may not be a practical operational limit on UAM, though further improvements to the modeling are warranted.

advanced air mobility↗

The Role of Mobility Data Hubs in an Integrated Decarbonized Transportation Future

The landscape for connected mobility ecosystems is evolving rapidly as information and communication technologies lower the cost and complexity of connecting people to places, integrating transportation modes and collecting data regarding such movements. These developments have been key to unlocking new business opportunities, particularly through mobility services. While the mechanisms for data collection, processing, and transfer have made significant advances in the past decade, the broader landscape of mobility data architectures and data users remains largely unresolved. It is unclear as to whether the result will converge towards a framework that resembles a coherent quilt or a disjointed patchwork of competing visions. Initial approaches to mobility data collection and provisioning have been largely siloed - by mode or software - or held for exclusive use, however several key players are quickly realizing the need and opportunities enabled through integrated mobility data eco-systems, or mobility data hubs as referred to in this paper. As the business case for hosting mobility data hubs evolves, there is great uncertainty regarding their impact to either advance or exacerbate sustainable mobility (e.g., seamless connectivity across modes, decreased energy consumption and greenhouse gas emissions, etc.). Groups such as the United Nations and World Bank have identified data platforms as a key enabler of realizing environmental and social benefits. If designed with decarbonization in mind, we hypothesize that enhanced observability provided by these ever-expanding mobility data hubs can facilitate energy and emissions reductions that are otherwise limited by transactional barriers and knowledge asymmetry that is inherent to a more siloed approach. In this sense, integration of mobility data can help to create a competitive playing field where value is not determined by exclusivity of data, but rather the quality and uniqueness of a given service. The goals of this paper are to 1) identify key players and data architectures that are emerging in a service-based mobility market, 2) explore several use cases where mobility data hubs have enabled greater sustainability outcomes, and 3) discuss key issues that will need to be resolved to fully leverage emerging mobility data hubs towards a sustainable transportation future.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗

Computational Studies of Photocatalysis with Metal–Organic Frameworks

Metal–organic frameworks (MOFs) as photocatalysts and photocatalyst supports combine several advantages of homogeneous and heterogeneous catalyses, including stability, post-reaction separation, catalyst reusability, and tunability, and they have been intensively studied for photocatalytic applications. There are several reviews that focus mainly or even entirely on experimental work. The present review is intended to complement those reviews by focusing on computational work that can provide a further understanding of the photocatalytic properties of MOF photocatalysts. We first present a summary of computational methods, including density functional theory, combined quantum mechanical and molecular mechanical methods, and force fields for MOFs. Then, computational investigations on MOF-based photocatalysis are briefly discussed. The discussions focus on the electronic structure, photoexcitation, charge mobility, and photoredox catalysis of MOFs, especially the widely studied UiO-66-based MOFs.

36 MATERIALS SCIENCE↗

Dynamic Adjustment of Simulation Parameters for Efficient Vehicle Prognostics

Model-based diagnostics and prognostics rely on state estimation and uncertainty management algorithms to produce useful information for system operators and maintainers. This information enables more informed operational decisions, condition-based maintenance, and overall mission safety assurance. Typically, uncertainty is associated with vehicle state-of-health estimation and prediction results because of modeling errors, internal or external sources of noise, and sensor inaccuracy. Probabilistic uncertainty management methods including Sequential Monte Carlo simulation are commonly used to reason about state-of-health estimates and predictions in the presence of these sources of uncertainty. However, such algorithms can be computationally expensive as they require a very large number of samples to obtain a sufficiently accurate quantification of the end of life probability distribution. As a result, highly mobile autonomous systems that leverage the prognostic results for mission-level replanning are often constrained in their processing capability because of these computationally expensive simulation approaches. Therefore, in this paper, we investigate algorithmic methods for dynamically adjusting simulation time step as well as number of samples to achieve highly efficient prognostic results while maintaining results accuracy. Results obtained from simulated flight experiments of an electric unmanned aerial vehicle are presented to verify the efficacy of such algorithms.

Prognostics↗

Planning for a Martian Road Trip – The Mars2020 Mobility Systems Design

The Perseverance rover landed in Jezero Crateron Mars on February 18, 2021, marking the beginning of anepic road trip across Mars. The guiding principle of thePerseverance rover design was to replicate Curiosity, exceptfor when the new mission objectives mandated a change.The scientific objectives require that Perseverance drivemore quickly and more efficiently through more complexterrain than its predecessors. The mobility system forPerseverance exemplifies this, in that key portions areidentical, yet others have had major upgrades. Key upgradesinclude more tractive and more robust tires, newengineering cameras, a new computer dedicated for imageprocessing, and a more efficient AutoNav software suite.This paper will follow how the scientific objectives led tothe key and driving mobility requirements and how theserequirements were decomposed at the different subsystems.

Stragier, Michael M.↗

Urban Energy Systems: Research at Oak Ridge National Laboratory

In the coming decades, our planet will witness unprecedented urban population growth in both established and emerging communities. The development and maintenance of urban infrastructures are highly energy-intensive. Urban areas are dictated by complex intersections among physical, engineered, and human dimensions that have significant implications for traffic congestion, emissions, and energy usage. In this chapter, we highlight recent research and development efforts at Oak Ridge National Laboratory (ORNL), the largest multipurpose science laboratory within the U.S. Department of Energy’s (DOE) national laboratory system, that characterizes the interactions between the human dynamics and critical infrastructures in conjunction with the integration of four distinct components: data, critical infrastructure models, and scalable computation and visualization, all within the context of physical and social systems. Discussions focus on four key topical themes: population and land use, sustainable mobility, the energy-water nexus, and urban resiliency, that are mutually aligned with DOE’s mission and ORNL’s signature science and technology capabilities. Using scalable computing, data visualization, and unique datasets from a variety of sources, the institute fosters innovative interdisciplinary research that integrates ORNL expertise in critical infrastructures including energy, water, transportation, and cyber, and their interactions with the human population.

Bhaduri, Budhu↗

Benchmarking the PCMCI Causal Discovery Algorithm for Spatiotemporal Systems

Causal discovery algorithms construct hypothesized causal graphs that depict causal dependencies among variables in observational data. While powerful, the accuracy of these algorithms is highly sensitive to the underlying dynamics of the system in ways that have not been fully characterized in the literature. In this report, we benchmark the PCMCI causal discovery algorithm in its application to gridded spatiotemporal systems. Effectively computing grid-level causal graphs on large grids will enable analysis of the causal impacts of transient and mobile spatial phenomena in large systems, such as the Earth’s climate. We evaluate the performance of PCMCI with a set of structural causal models, using simulated spatial vector autoregressive processes in one- and two-dimensions. We develop computational and analytical tools for characterizing these processes and their associated causal graphs. Our findings suggest that direct application of PCMCI is not suitable for the analysis of dynamical spatiotemporal gridded systems, such as climatological data, without significant preprocessing and downscaling of the data. PCMCI requires unrealistic sample sizes to achieve acceptable performance on even modestly sized problems and suffers from a notable curse of dimensionality. This work suggests that, even under generous structural assumptions, significant additional algorithmic improvements are needed before causal discovery algorithms can be reliably applied to grid-level outputs of earth system models.

54 ENVIRONMENTAL SCIENCES↗

An Approach to Reasoning Service Migration in Data and Reasoning Fabric (DRF) Implementation

In this paper we consider service migration problem for Data and Reasoning Fabric (DRF) enabled airspace operations assuming a fixed cloud/edge infrastructure with allocated computing, storage and power resources, where cloud/edge servers, and communication stations are in a wired connected network, while vehicles use a wireless network for communication. The objective is to automatically select the best location for the requested service execution, which achieves minimum cost while satisfying the user quality of service (QoS) and available resources constraints. To this end, estimates of the response time, consumed energy and total cost are defined for each potential compute location. A mixed-integer linear program is then formulated and solved to identify optimal compute locations given QoS constraints, network infrastructure limitations, with worst-case vehicle positioning. The approach is applied to trajectory re-planning use case to avoid a collision with an emergency vehicle in real time.

Air mobility↗

Mobile Sensing for Wind Field Estimation in Wind Farms: Preprint

This paper introduces a novel approach for estimating the wind field over an entire wind farm using a mobile sensor to collect limited amounts of data. The proposed method estimates the boundary conditions of a simplified turbine wake model by computing the model sensitivity matrix and using a recursive least-squares algorithm to recover the model parameters from the wind field measurements. To address the fact that it is not practical to take measurements across the entire wind farm, the proposed method classifies each area on the map based on its sensitivity to parameter variations. This classification is then used to generate a suitable path for a mobile sensor, which is charged with collecting data for the recursive least-squares algorithm. The proposed framework can successfully estimate the model boundary conditions using just the measurements collected along the path of the mobile sensor. This preliminary result paves the way for using real-time wind field estimates for the coordinated control of all the turbines within a wind farm.

estimation↗

Applications of CALPHAD modeling and databases in advanced lightweight metallic materials

Here this paper presents an overview on the application of CALPHAD (CALculation of Phase Diagrams) methodology in the design and development of advanced lightweight metallic materials including magnesium, aluminum, titanium, aluminum-based metal matrix composites, and high entropy alloys. In this work, CALPHAD methodology has been established and summarized from the construction of databases describing thermodynamics, atomic mobility, kinetics, thermo-physical properties (such as viscosity) to the application of computational design of lightweight materials. The examples in this paper have demonstrated the effectiveness and capability of CALPHAD methodology in accelerating the design of advanced lightweight materials by optimizing the compositions and various heat-treatment conditions, modifying the evolution of microstructures during processing, and finally predicting the mechanical properties (e.g., yield strength and hardness) of the lightweight components. Although the examples are given in lightweight alloys for structural applications, the fundamental methodology and modeling principles are applicable to all materials and engineering applications. Thus, the future of the advanced material design will be strongly based on development of CALPHAD methodology such as the construction of reliable databases coupled with CALPHAD-based models for various applications.

36 MATERIALS SCIENCE↗

The Effect of Ring Expansion in Thienobenzo[ b ]indacenodithiophene Polymers for Organic Field-Effect Transistors

A fused donor, thienobenzo[b]indacenodithiophene (TBIDT), was designed and synthesized using a novel acid-promoted cascade ring closure strategy, and then copolymerized with a benzothiadiazole (BT) monomer. The backbone of TBIDT is an expansion of the well-known indacenodithiophene (IDT) unit and was expected to enhance the charge carrier mobility by improving backbone planarity and facilitating short contacts between polymer chains. However, the optimized field-effect transistors demonstrated an average saturation hole mobility of 0.9 cm 2 V -1 s -1 , lower than the performance of IDT-BT (~1.5 cm 2 V -1 s -1 ). Mobilities extracted from time-resolved microwave conductivity measurements were consistent with the trend in hole mobilities in organic field-effect transistor devices. Scanning tunneling microscopy measurements and computational modeling illustrated that TBIDT-BT exhibits a less ordered microstructure in comparison to IDT-BT. This reveals that a regular side-chain packing density, independent of conformational isomers, is critical to avoid local free volume due to irregular packing, which can host trapping impurities. DFT calculations indicated that TBIDT-BT, despite containing a larger, planar unit, showed less stabilization of planar backbone geometries in comparison to IDT-BT. This is due to the reduced electrostatic stabilizing interactions between the peripheral thiophene of the fused core and the BT unit, resulting in a reduction of the barrier to rotation around the single bond. Finally, these insights provide a greater understanding of the general structure-property relationships required for semiconducting polymer repeat units to ensure optimal backbone planarization, as illustrated with IDT-type units, guiding the design of novel semiconducting polymers with extended fused backbones for high-performance field-effect transistors.

36 MATERIALS SCIENCE↗