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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 721 records · Page 40

Actuator and Motor Control End-to-End V&V on the Mars 2020 Rover

The Mars 2020 Perseverance rover is the most advanced robotic exploration system ever sent to another planet. To support the complex scientific and mobility needs of the mission, the rover utilizes 33 actuators, three multi-degree-of-freedom force-torque sensors, fifteen single or dual-speed resolvers, two solenoid valves, and twelve contact switches. The control for these actuators and sensors is achieved by several levels of flight software, coordinated between two computers with varying bandwidth control loops. Furthermore, the actuators and sensors were integrated into multiple larger robotic mechanisms that were delivered by different organizations at various points in the Integration and Test (I&T) timeline. All of this created a very complex Verification and Validation (V&V) scenario involving multiple subsystems and teams, several hardware and software testbeds with varying levels of fidelity, and significant systems engineering to ensure the overall I&T schedule could be maintained while ensuring system hardware safety.This paper details the integrated V&V effort across multiple teams and venues to provide full coverage of all necessary functionality, performance, and fault protection. First, it provides an overview of how the V&V campaign was subdivided among teams and venues and provides descriptions of the various hardware configurations used to support the testing. The Mars 2020 implementation of the plan incorporates many of the lessons learned from Mars Science Laboratory’s test campaign, and these value-added modifications are discussed here. Also included in this section is the system-level environmental testing approach used for mechanisms. Second, the paper describes the phased approach used by the teams to support new hardware and software deliveries to testbed and Systems I&T. In this approach the test campaign was built upon higher-level mechanism needs for performance, functionality, and safety at specific times in the campaign. Finally, the paper discusses lessons learned from the V&V campaign that should be applied to future large-scale motion control testing efforts.

Borne, Davis↗

A Knowledge Graph Framework for Organizing Heterogeneous Datasets for Utilization in Classical and Quantum Computing: Current Challenges and Future Directions

"The escalating impact of climate change induced extreme weather events in urban, suburban, and rural environments demands a rethink of how we have been using the single event-based or use-case-based knowledge graph models. The lack of representation in interaction within environmental variables found in literature led to the development of a novel framework that reflects the true nature of the interconnectedness in our environment. We propose an Environmental Interaction Knowledge Graph (EIKG) framework. This general EIKG framework works as the basis for interconnected environmental events by knitting interrelated events such as hurricanes leading to storm surges, which lead to flood events that could cause mudslides, landslides, etc., The cascading nature of one event leading to another related event in the environment requires an adequate understanding of each event using contextual information before conducting any data-driven analytics. This vision paper showcases how the EIKG:floods, EIKG:wildfire EIKG:landslides, etc, can be derived from a base case framework of EIKG as those individual events are interconnected with some common denominator variables. As an example, the precipitation variable is used in the flood case study as well as in the wildfire case study, as excessive precipitation levels lead to floods, and lack of precipitation leads to droughts and wildfires. We identify the precipitation variable as a “common-denominator-variable” in extreme weather events that play a key role in modeling the environment leading to different extreme weather events based on the variability of that variable (varying values where low precipitation leads to drought, and high values lead to floods). We use the insights gained from EIKG to conduct classical and Quantum Machine Learning (QML) based data analysis on the research questions developed. Our preliminary study shows how the Variational Quantum Classifier (VQC) and Quantum Support Vector Classifier (QSVC) are used along with the classical machine learning models to compare the model accuracies. Our study elaborates on how a quantitative analysis uses state-of-the-art machine learning techniques that include implementing both classical and quantum machine learning models and developing the knowledge graph. The EIKG is used to organize heterogeneous datasets and integrate the relations to case-specific extreme weather events such as floods. The study uses datasets such as county-to-country residential mobility data, socioeconomic datasets from the US Census Bureau, climate and weather-related Earth Observational data from NASA, and critical infrastructure data from the Homeland Infrastructure datasets."

Knowledge Graphs, Quantum Computing, Heterogenous ↗

Molecular Hypernetworks for Exploration of Multi-Dimensional Metabolomics Data (Chyper)

Orthogonal separations of data from high-resolution mass spectrometry can provide insight into sample composition and help address the challenge of complete annotation of molecules in untargeted metabolomics. “Molecular networks” (MNs), as used, for example, in the Global Natural Products Social Molecular Networking platform, are an increasingly popular computational strategy for exploring and visualizing molecular relationships and improving annotation. MNs use graph representations to show the relationships between measured multidimensional data features. MNs also show promise for using network science algorithms to automatically identify targets for annotation candidates and to dereplicate features associated to a single molecular identity. However, more advanced methods may better represent the complexity present in samples. Our work aims to increase confidence in annotation propagation by extending molecular network methods to include “molecular hypernetworks” (MHNs), able to natively represent multiway relationships among observations supporting both human and analytical processing. In this paper we first introduce MHNs illustrated with simple examples, and demonstrate how to build them from liquid chromatography- and ion mobility spectrometry- separated MS data. We then describe a method to construct MHNs directly from existing MNs as their “clique reconstructions”, demonstrating their utility by comparing examples of previously published graph-based MNs to their respective MHNs.

59 BASIC BIOLOGICAL SCIENCES↗

Coming to Grips with Ambiguity: Ion Mobility-Mass Spectrometry for Protein Quaternary Structure Assignment

Multiprotein complexes are central to our understanding of cellular biology, as they play critical roles in nearly every biological process. Despite many impressive advances associated with structural characterization techniques, large and highly-dynamic protein complexes are too often refractory to analysis by conventional, high-resolution approaches. To fill this gap, ion mobility-mass spectrometry (IM-MS) methods have emerged as a promising approach for characterizing the structures of challenging assemblies due in large part to the ability of these methods to characterize the composition, connectivity, and topology of large, labile complexes. In this Critical Insight, we present a series of bioinformatics studies aimed at assessing the information content of IM-MS datasets for building models of multiprotein structure. Our computational data highlights the limits of current coarse-graining approaches, and compelled us to develop an improved workflow for multiprotein topology modeling, which we benchmark against a subset of the multiprotein complexes within the PDB. This improved workflow has allowed us to ascertain both the minimal experimental restraint sets required for generation of high-confidence multiprotein topologies, and quantify the ambiguity in models where insufficient IM-MS information is available. We conclude by projecting the future of IM-MS in the context of protein quaternary structure assignment, where we predict that a more complete knowledge of the ultimate information content and ambiguity within such models will undoubtedly lead to applications for a broader array of challenging biomolecular assemblies. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Dual phase patterning during a congruent grain boundary phase transition in elemental copper

The phase behavior of grain boundaries can have a strong influence on interfacial properties. Little is known about the emergence of grain boundary phases in elemental metal systems and how they transform. Here, we observe the nanoscale patterning of a grain boundary by two alternating grain boundary phases with distinct atomic structures in elemental copper by atomic resolution imaging. The same grain boundary phases are found by computational grain boundary structure search indicating a first-order transformation. Finite temperature atomistic simulations reveal a congruent, diffusionless transition between these phases under ambient pressure. The patterning of the grain boundary at room temperature is dominated by the grain boundary phase junctions separating the phase segments. Our analysis suggests that the reduced mobility of the phase junctions at low temperatures kinetically limits the transformation, but repulsive elastic interactions between them and disconnections could additionally stabilize the pattern formation.

36 MATERIALS SCIENCE↗

The measurement and analysis of leaf spectral reflectance of two stands of loblolly pine populations

My research was conducted under the mentorship of Dr. Jeff Luvall. I worked at Marshall from June 1 through August 6, 1993. My proposal is titled 'The Measurement and Analysis of Leaf Spectral Reflectance of Two Stands of Loblolly Pine Populations.' The populations for this study were chosen from a larger population of 31 families managed by the International Forest Seed Company, Odenville, Alabama. The technology for mobile ground base spectral detecting is new and therefore the majority of time, June 2 through July 9, was spent on learning the techniques of the Spectrometer 2 spectroradiometer used in the gathering of spectra information. The activities included in the learning process were as follows: calibration of the equipment, programming the associated computer for data management, operation of the spectral devices, and input and output of data. From July 12 through August 3 the time was spent on learning the 'STATGRAP' computer software. This software will be used in the analysis of the data retrieved by the Spectrometer 2 spectroradiometer. Dr. Greg Carter, at Stennis, a colleague of Dr. Luvall, has been conducting similar work with different instruments and procedures and has agreed to host us for a training session on data gathering and analysis. This visit, which has previously planned for July 9, 1993, but had to be postponed because of schedule conflicts, is now confirmed for August 18-22, 1993. This trip to Stennis will provide the knowledge for conducting the field operations in my study, i.e., gathering of data and file conversions.

Paul, Anthony D.↗

Modular Filter and Source-Management Upgrade of RADAC

In an upgrade of the Range Data Acquisition Computer (RADAC) software, a modular software object library was developed to implement required functionality for filtering of flight-vehicle-tracking data and management of tracking-data sources. (The RADAC software is used to process flight-vehicle metric data for realtime display in the Wallops Flight Facility Range Control Center and Mobile Control Center.)

Lanzi, R. James↗

Preliminary Steps in Developing Rapid Aero Modeling Technology

The Rapid Aero Modeling (RAM) approach is a method to efficiently and automatically obtain aerodynamic models during testing, significantly saving time and resources. Motivation for this technology results from demand for experimental efficiency and model fidelity that has increased with growing aircraft complexity and aerodynamic nonlinearities. These issues are typical in the responses presented by a class of vehicles categorized as Urban Air Mobility aircraft where many features from both airplane and rotorcraft are present. For UAM configurations, with typically many more factors than conventional aircraft, traditional test methods can lead to increased costs and missed interactions. RAM guides the test to obtain high-fidelity, statistically rigorous aircraft models, and the approach is applicable to computational, ground, or flight-test experiments. It combines concepts from Design of Experiment theory and Aircraft System Identification theory that allow the user the freedom to choose, in advance of the test, a specific level of fidelity typically, in terms of prediction error. RAM only collects data required to meet the user-specified fidelity and fidelity is only limited by the facility and test article capabilities. An initial wind tunnel test to support development of RAM was conducted to assess potential metrics, algorithms, and procedures. This paper presents results from initial tests for the development of RAM technology and highlights some of the unique features of RAM applied toa conventional configuration during a ground-based, static, wind-tunnel test.

Patrick C Murphy↗

Autonomous Off-road Navigation over Extreme Terrains with Perceptually-challenging Conditions

We propose a framework for resilient autonomous navigation in perceptuallychallenging unknown environments with mobility-stressing elements such asuneven surfaces with rocks and boulders, steep slopes, negative obstacles like cliffsand holes, and narrow passages. Environments are GPS-denied and perceptuallydegradedwith variable lighting from dark to lit and obscurants (dust, fog, smoke).Lack of prior maps and degraded communication eliminates the possibility of prioror off-board computation or operator intervention. This necessitates real-time onboardcomputation using noisy sensor data. To address these challenges, we proposea resilient architecture that exploits redundancy and heterogeneity in sensing modalities.Further resilience is achieved by triggering recovery behaviors upon failure.We propose a fast settling algorithm to generate robust multi-fidelity traversabilityestimates in real-time. The proposed approach was deployed on multiple physicalsystems including skid-steer and tracked robots, high-speed RC car and legged robotsand as a part of Team CoSTAR’s effort to theDARPASubterranean Challenge, wherethe team won 2nd and 1st place in the Tunnel and Urban Circuit, respectively.

Agha-mohammadi, Ali-akbar↗

Development of Machine-Learned Interatomic Potentials to Predict Structure, Transport, and Reactivity in Platinum-Based Fuel Cells

Machine-learned interatomic potentials (MLIPs) have rapidly progressed in accuracy, speed, and data efficiency in recent years. However, training robust MLIPs in multicomponent systems remains a challenge. In this work, we train an MLIP to describe hydrated Nafion ionomers and platinum catalysts, which are important components of fuel cells, by constructing a diverse training set to describe the bulk polymer and interfacial catalyst–polymer interactions well. We use our trained MLIP to study the properties of the platinum–Nafion system, including polymer structure, proton mobility in a bulk Nafion polymer and near a platinum-Nafion interface, and reactions near and far from the interface, finding excellent results for structure and reactions contained within our training set. Transport seems to be well described, with both vehicular transport and Grotthuss hopping captured, although converged calculations of diffusivities were not computed because they require calculations of tens of nanoseconds that are challenging with current state-of-the-art MLIPs. The combined insights that this model provides can be leveraged to optimize fuel cell performance, and the approach can be applied to other chemical processes and devices where structure, transport, and reactivity all contribute to the overall observed performance.

33 ADVANCED PROPULSION SYSTEMS↗

Indoor Navigation using Direction Sensor and Beacons

A system for indoor navigation of a mobile robot includes (1) modulated infrared beacons at known positions on the walls and ceiling of a room and (2) a cameralike sensor, comprising a wide-angle lens with a position-sensitive photodetector at the focal plane, mounted in a known position and orientation on the robot. The system also includes a computer running special-purpose software that processes the sensor readings to obtain the position and orientation of the robot in all six degrees of freedom in a coordinate system embedded in the room.

Shields, Joel↗

Control and Non-Payload Communications (CNPC) Prototype Radio - Generation 2 Security Flight Test Report

NASA Glenn Research Center (GRC), in cooperation with Rockwell Collins, is working to develop a prototype Control and Non-Payload Communications (CNPC) radio platform as part of NASA Integrated Systems Research Program's (ISRP) Unmanned Aircraft Systems (UAS) Integration in the National Airspace System (NAS) project. A primary focus of the project is to work with the Federal Aviation Administration (FAA) and industry standards bodies to build and demonstrate a safe, secure, and efficient CNPC architecture that can be used by industry to evaluate the feasibility of deploying a system using these technologies in an operational capacity. GRC has been working in conjunction with these groups to assess threats, identify security requirements, and to develop a system of standards-based security controls that can be applied to the GRC prototype CNPC architecture as a demonstration platform. The proposed security controls were integrated into the GRC flight test system aboard our S-3B Viking surrogate aircraft and several network tests were conducted during a flight on November 15th, 2014 to determine whether the controls were working properly within the flight environment. The flight test was also the first to integrate Robust Header Compression (ROHC) as a means of reducing the additional overhead introduced by the security controls and Mobile IPv6. The effort demonstrated the complete end-to-end secure CNPC link in a relevant flight environment.

Communication Networks↗

Solid-State Architecture Batteries for Enhanced Rechargeability and Safety (SABERS): Advanced Battery Technology for Sustainable Aviation

All-electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The primary barrier to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria. The performance metrics for eVTOL vehicles are at least two times greater than those of electric ground vehicles. Furthermore, inherently non-flammable batteries are essential for safe operation of commercial electric aerovehicles. The SABERS concept proposes a battery that meets the key performance criteria through development of a solid-state architecture battery utilizing high-capacity sulfur-selenium cathode and lithium metal anode. The combination of sulfur and selenium offers a balanced energy-to-power density ratio, which can be tailored to the specific application by altering the stoichiometric ratios of sulfur to selenium. This hybrid cathode will be developed by implementing NASA patented holey graphene technology as a highly conductive, ultra-lightweight electrode scaffold. A solid-state electrolyte will be used as a safe, non-flammable replacement to the highly flammable liquid organic electrolytes currently used in SOA lithium-ion batteries. This solid-state lithium-sulfur/selenium cell will be designed into a serial stacking configuration to enable dense packaging of the battery cells. The serial stacking configuration is termed a bipolar stack, which has the advantages of reducing overall cell weight, simplifying the interfaced connections for the cell, and minimizing the cooling requirements. Lastly, optimization of battery components will occur through a robust and rigorous combination of various computational modeling techniques covering multiple length scales. The expected result will be a fully solid-state battery with operational temperatures up to 150 °C which provides the required energy density, discharge rates, and inherent safety to meet the strict aerospace mission performance criteria. This presentation will demonstrate a feasible path for solid-state cells that possess a specific energy of greater than 400 Wh/kg to enable electric aircraft. The presentation will also explore novel materials and computational models used to achieve all solid-state cells that operate safely at very high temperatures and specific energies. The cells can withstand damage while operating without an increase in temperature or spontaneous ignition.

Urban Air Mobility (UAM) Vehicles↗

The AQUA-MER databases and aqueous speciation server: A web resource for multiscale modeling of mercury speciation

To assess the chemical reactivity, toxicity, and mobility of pollutants in the environment, knowledge of their species distributions is critical. Because their direct measurement is often infeasible, speciation modeling is widely adopted. Mercury (Hg) is a representative pollutant for which study of its speciation benefits from modeling. However, Hg speciation modeling is often hindered by a lack of reliable thermodynamic constants. Although computational chemistry (e.g., density functional theory [DFT]) can generate these constants, methods for directly coupling DFT and speciation modeling are not available. Here, we combine computational chemistry and continuum-scale modeling with curated online databases to ameliorate the problem of unreliable inputs to Hg speciation modeling. Our AQUA-MER databases and web server (https://aquamer.ornl.gov) provides direct speciation results by combining web-based interfaces to a speciation calculator, databases of thermodynamic constants, and a computational chemistry toolkit to estimate missing constants. Lastly, although Hg is presented as a concrete use case, AQUA-MER can also be readily applied to other elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Guest-Dependent Stabilization of the Low-Spin State in Spin-Crossover Metal-Organic Frameworks

Computer simulations are carried out to characterize the variation of spin-crossover (SCO) behavior of the prototypical {Fe(pz)[Pt(CN) 4 ]} metal-organic framework (MOF) upon adsorption of chemically and structurally different guest molecules. A detailed analysis of both strength and anisotropy of guest molecule–framework interactions reveals direct correlations between the mobility of the guest molecules inside the MOF pores, the rotational mobility of the pyrazine rings of the framework, and the stabilization of the low-spin state of the material. On the basis of these correlations, precise molecular criteria are established for predicting the spin state of {Fe(pz)[Pt(CN) 4 ]} upon guest adsorption. Finally, predictions of the SCO temperature upon adsorption of various toxic gases demonstrate that in silico modeling can provide fundamental insights and design principles for the development of spin-crossover MOFs for applications in gas detection and chemical sensing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural and Dynamic Disorder, Not Ionic Trapping, Controls Charge Transport in Highly Doped Conducting Polymers

Doped organic semiconductors are critical to emerging device applications, including thermoelectrics, bioelectronics, and neuromorphic computing devices. It is commonly assumed that low conductivities in these materials result primarily from charge trapping by the Coulomb potentials of the dopant counter-ions. Here, we present a combined experimental and theoretical study rebutting this belief. Using a newly developed doping technique, we find the conductivity of several classes of high-mobility conjugated polymers to be strongly correlated with paracrystalline disorder but poorly correlated with ionic size, suggesting that Coulomb traps do not limit transport. A general model for interacting electrons in highly doped polymers is proposed and carefully parameterized against atomistic calculations, enabling the calculation of electrical conductivity within the framework of transient localisation theory. Theoretical calculations are in excellent agreement with experimental data, providing insights into the disordered-limited nature of charge transport and suggesting new strategies to further improve conductivities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mobiliti v1.0

Mobiliti is a software platform designed to emulate the dynamics of a regional transportation road network. It is built on open-source software that provides parallel discrete-event simulation. The software is transformative in the area of transportation network simulation because of the geospatial scale and fidelity of the network model and the computational time it takes to model a full day of travel demand. For example, it runs a simulation of the entire San Francisco Bay Area, with a network model of ~1M links and a population that completes ~19M trips in ~5 minutes. This scale of simulation has not been attempted with existing simulation models due to the complexity of the model and the computational time it would take to complete. The intent of the software is to create a digital twin capability for cities to evaluate consequences of infrastructure or policy changes on road network dynamics.

Macfarlane, Jane↗

Transmission over EHF mobile satellite channels

Land mobile satellite communications at Ka-band (30/20 GHz) are attracting an increasing interest among researchers because of the frequency band availability and the possibility of small earth station designs. However, communications at the Ka-band pose significant challenges in the system designs due to severe channel impairments. Because only very limited experimental data for mobile applications at Ka-band is available, this paper studies the channel characteristics based on experimental data at L-band (1.6/1.5 GHz) and the use of frequency scaling. The land mobile satellite communication channel at Ka-band is modelled as log-normal Rayleigh fading channel. The first and second-order statistics of the fading channel are studied. The performance of a coherent BPSK system over the fading channel at L-band and K-band is evaluated theoretically and validated by computer simulations. Conclusions on the communication channel characteristics and system performance at L-band and Ka-band are presented.

Zhuang, W.↗