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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Global Infrared Observations of Roughness Induced Transition on the Space Shuttle Orbiter

High resolution infrared observations made from a mobile ground based optical system captured the laminar-to-turbulent boundary layer transition process as it occurred during Space Shuttle Endeavour's return to earth following its final mission in 2011. The STS-134 imagery was part of a larger effort to demonstrate an emerging and reliable non-intrusive global thermal measurement capability and to complement a series of boundary layer transition flight experiments that were flown on the Shuttle. The STS-134 observations are believed to be the first time that the development and movement of a hypersonic boundary layer transition front has been witnessed in flight over the entire vehicle surface and in particular, at unprecedented spatial resolution. Additionally, benchmark surface temperature maps of the Orbiter lower surface collected over multiple flights and spanning a Mach range of 18 to 6 are now available and represent an opportunity for collaborative comparison with computational techniques focused on hypersonic transition and turbulence modeling. The synergy of the global temperature maps with the companion in-situ thermocouple measurements serve as an example of the effective leveraging of resources to achieve a common goal of advancing our understanding of the complex nature of high Mach number transition. It is shown that quantitative imaging can open the door to a multitude of national and international opportunities for partnership associated with flight-testing and subsequent validation of numerical simulation techniques. The quantitative imaging applications highlighted in this paper offer unique and complementary flight measurement alternatives and suggest collaborative instrumentation opportunities to advance the state of the art in transition prediction and maximize the return on investment in terms of developmental flight tests for future vehicle designs.

Horvath, Thomas J.↗
DOE OSTI2023

Feasibility of FDEM cross-dipole and TDEM loop sources for monitoring CO 2 at the Kemper CarbonSAFE site

Electromagnetics has been shown to be a viable tool to monitor CO 2 plumes embedded in saline reservoirs. However, the majority of studies focus on measuring the electric field, which requires cumbersome equipment in the field and it is difficult to install permanent measurement stations. Magnetic field receivers offer an opportunity to reduce the form factor of the survey and increase the mobility by utilizing upcoming technologies, such as drones. We explore the use of frequency-domain electric dipole sources, and timedomain loops with a focus on measuring the secondary magnetic field at the surface for a conceptual injection scenario based on the Kemper CarbonSAFE site. We find that electric dipole sources give a response above the sensitivity of current sensor technology and, therefore, be a viable tool for CO 2 monitoring. The time domain loop source does provide fields that are useful for determining the location of the CO 2 plume, however the field magnitude is below the sensitivity of the current generation of instruments. To explore the use of a potential borehole receiver we generate a map of the magnetic field at depth to explore potential borehole placement for monitoring efforts. Finally, we limit the spatial extent of the electric dipole survey to a single parcel of land to help understand how the fields change with survey geometry. We find that the shape of the secondary fields change slightly with the small transmitter, but are still measurable provided that the cultural noise at the site is low. Thus, we conclude that at the Kemper site a frequency-domain cross-dipole source with magnetometer receivers is suitable to monitor the expansion of the CO 2 plume in the saline reservoir, even with a limited transmitter footprint on the surface.

58 GEOSCIENCES↗
DOE OSTI2025

Machine Learning–Guided Boolean Matrix Inference for Real-Time O-RAN Conflict Detection

Open Radio Access Networks (O-RAN) are emerging, software-driven cellular architectures that promote flexibility by enabling components from different vendors to interoperate. Multiple control applications called xApps can independently adjust network parameters in near real time, often without awareness of each other's actions. This creates a system highly prone to unintended conflicts and performance degradation due to the inherent complexity of such openness. To model such systems and ultimately prevent or mitigate xApp conflicts, it is essential to understand the dynamic relationships between xApps (A), the control parameters they adjust (P), and the resulting KPI responses (K). While the mappings from A to P and from K to A can often be derived from xApp specifications, the relationship from P to K is typically hidden within the system’s dynamics and must be inferred from observed data. We propose a novel data-driven Boolean inference framework that uncovers the hidden P?K dependencies using machine learning and interpretable rule induction. Continuous parameters and KPIs are first binarized using decision tree classifiers, and a binary influence matrix L is then inferred by solving Boolean matrix equations over time. This compact representation improves interpretability and enables real-time tracking of dynamically evolving parameter-KPI dependencies. We demonstrate the effectiveness of our method in a realistic mobile handover scenario, where it accurately recovers the underlying logic and enables proactive conflict detection.

42 - ENGINEERING↗
NASA NTRS2014

Using Social Media and Mobile Devices to Discover and Share Disaster Data Products Derived From Satellites

Data products derived from Earth observing satellites are difficult to find and share without specialized software and often times a highly paid and specialized staff. For our research effort, we endeavored to prototype a distributed architecture that depends on a standardized communication protocol and applications program interface (API) that makes it easy for anyone to discover and access disaster related data. Providers can easily supply the public with their disaster related products by building an adapter for our API. Users can use the API to browse and find products that relate to the disaster at hand, without a centralized catalogue, for example floods, and then are able to share that data via social media. Furthermore, a longerterm goal for this architecture is to enable other users who see the shared disaster product to be able to generate the same product for other areas of interest via simple point and click actions on the API on their mobile device. Furthermore, the user will be able to edit the data with on the ground local observations and return the updated information to the original repository of this information if configured for this function. This architecture leverages SensorWeb functionality [1] presented at previous IGARSS conferences. The architecture is divided into two pieces, the frontend, which is the GeoSocial API, and the backend, which is a standardized disaster node that knows how to talk to other disaster nodes, and also can communicate with the GeoSocial API. The GeoSocial API, along with the disaster node basic functionality enables crowdsourcing and thus can leverage insitu observations by people external to a group to perform tasks such as improving water reference maps, which are maps of existing water before floods. This can lower the cost of generating precision water maps. Keywords-Data Discovery, Disaster Decision Support, Disaster Management, Interoperability, CEOS WGISS Disaster Architecture

0↗
NASA NTRSDate not supplied

Developing a Motion-Based System for Lunar Vehicle Handling Qualities Testing

— Motion and visual cue influences are critical in any simulator system, as they impact multiple aspects of the human’s neurovestibular and visual systems. Cues of real motion proceeds to the brain before cues of visual change. It is important therefore for simulator motion cues to exist and to match those realistically with those of the real vehicle to provide transferable training of the activity for operations. The United Kingdom’s Royal Air Force Institute of Aviation Medicine (1989)[1] stated that motion platforms are the only simulation devices capable of fully stimulating the body motion sensors. They confirmed that motion platforms can impart accelerations to the whole body and therefore exercise the automatic motion feedback-loop that operators are used to. With both visual and motion cues handling the vehicle becomes more realistic. Strachan (2019)[1] confirms motion cueing from a well set-up motion platform has been found to be important especially in conditions such as night or reduced visibility where motion cues may be more relied upon. As of this writing, the only lunar rover motion simulator is housed at the General Motors (GM) Milford Proving Ground, which only simulates the motions of a traditional car. A NASA Test Team proposed to complete a motion-based simulation system for NASA’s Lunar Terrain Vehicle (LTV) which resides at Johnson Space Center’s Systems Engineering Simulator facility. This activity integrated existing fixed base simulation capabilities with a newly procured six-degree of freedom motion base platform for the design, development, evaluation, and training associated with the LTV project. This would incorporate a South Pole Lunar virtual reality simulation using Lunar Reconnaissance Orbiter 5m/pixel high-resolution imagery and Unreal 5.2 Virtual Shadow Maps, combined with a virtual reality (VR) headset, integrated within a rover cockpit on a Mikrolar Motion Platform for evaluating human performance and vehicle handling qualities for concept roving vehicle designs. The motion-based system received its Human Rating Certification on March 2023. To begin testing the new facility, a preliminary handling qualities study was conducted. The objectives were to determine if there is a correlation amongst three handling quality methods of performance for a lunar vehicle and to understand the effects of a simulated 1/6-g loads and visuals with a motion platform on the operator while in a 1-g physical environment. The capability this system provides directly benefits the NASA’s Extravehicular Activity and Human Surface Mobility Program and NASA’s Flight Operations Directorate in evaluating the driving qualities of vehicle concepts, human performance related to the operating of a lunar surface vehicle, and assessment of suit related driving impacts. It would also provide direct operational benefit by providing a first-in class and unique simulation platform for the lunar astronaut training curriculum. The empirical knowledge of rover and human performance on this scale is paramount as there is currently no other lunar surface simulator with these capabilities. The result of this study ensures a broadly applicable method of testing for shirtsleeve, unpressurized and pressurized suited rover handling qualities.

Test Track↗
DOE OSTI2020

Acquisition and Implementation of a Comprehensive Environmental Permits Linking Tool at Savannah River Site - 20234

Historically, Savannah River Nuclear Solutions LLC (SRNS) tracked environmental regulatory commitments and the requirements from hundreds of permits at the Savannah River Site (SRS) using several separate methods, making integrated compliance assurance cumbersome and labor-intensive. When SRNS experienced an increase in environmental issues in 2017, SRNS management and U.S. Department of Energy - Savannah River (DOE-SR) management decided a single, proactive approach was needed to capture environmental permit information (including regulations, Consent Orders, DOE Orders, and any other state or federally issued statement of requirements), track the tasks necessary to ensure compliance with these requirements, and thereby mitigate the risk of noncompliance. SRNS developed a list of mandatory objectives that the tool must meet to function as a Comprehensive Environmental Permits Linking Tool (CEPLT). A key requirement was the ability to map Site permits to their governed locations and display the associated requirements at the compliance point (e.g., outfall, stack, waste unit, etc.). Several options included modifying existing onsite resources, building a custom onsite solution, purchasing an off-the-shelf solution, and contracting an offsite developer to build a custom solution. SRNS concluded an off-the-shelf solution with configuration and customization options would provide the flexibility to fit the unique needs of Savannah River Site (SRS) while taking advantage of industry-tested software and providing a reduced deployment timeline. SRNS chose Gensuite{sup R} a, a cloud-based solution that offers numerous a la carte applications in the environmental, health, and safety arenas, as the best candidate. SRNS selected three (3) integrated applications (Compliance Calendar, Permit Manager, and Mapper) to function as the CEPLT. The Compliance Calendar module allows for creation and tracking of regulatory commitment tasks assigned to responsible environmental professionals. Permit Manager organizes permits and other requirement documents, linking the commitments in each to Compliance Calendar tasks and/or implementing procedures. Mapper provides GIS capability for mapping the data from the other two modules to their physical onsite locations. The CEPLT was configured to allow for other SRS Site Tenants to eventually utilize the applications. Additionally, DOE-SR uses the CEPLT to provide an overview of contractor environmental compliance activities and to organize DOE-specific documents and tasks. The CEPLT fulfilled the requirement of meeting current compliance needs as well as providing the ability to grow as new organizations are incorporated and functionality is expanded. SRNS now uses the CEPLT to more effectively manage permit requirements, improve knowledge transfer, and increase the Site's overall protection of the environment, the Site worker, and the public. Possible future uses of the system include integration of mobile applications for timely communication of potential non-compliant conditions and DOE complex-wide deployment allowing for enhanced DOE site and Head Quarters oversight. Implementation of CEPLT will result in cost savings, both in terms of dollars and man-hours. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1984

Ambipolar diffusion in the middle atmosphere

In the middle atmosphere above 60 km, the electron concentration increases with altitude, reaching values of 10 to the 10th per cu m in the daytime ionospheric E region near 100 km. The electrons are more mobile than the ions and diffuse more rapidly through the neutral atmosphere. The electron diffusion polarizes the medium, causing an electric field to develop that acts to retard the electron diffusion and enhance the conduction current of ions. A global zonally averaged numerical model of atmosheric electricity from the ground to 100 km is used to examine the effect of ambipolar diffusion and the earth's geomagnetic field on the currents and fields in the middle atmosphere. The results show that above about 65 km, ambipolar diffusion generates local electric fields and conduction currents that balance electron diffusion currents. The electric fields and conduction currents are a few orders of magnitude larger than the vertical fields and currents calculated from the downward mapping of the ionospheric potential without taking electron diffusion into account. Ambipolar diffusion does not alter the total current flowing in the global circuit. It is a local effect where enhanced conduction currens flow to balance the electron diffusion current.

Tzur, I.↗
NASA NTRSDate not supplied

A Microphone Phased Array for Launch Acoustics Application

A new, portable, phased array of microphones is built at NASA Ames Research Center specifically for the harsh environment encountered in launch pads of rocket vehicles. It uses 70 piezoresistive, dynamic pressure sensors, optimally distributed on a 10.5ft diameter open frame dome structure. The open frame is light yet robust to sustain the high wind load of typical seaside launch pads, and the blast and acoustic loads from the launch. A 200-ft long cable bundle carries the microphone signals to a weather-protected cabinet containing the data systems, and allows for the placement of the array tall structures. The array is equipped with an infra-red camera and a visible wavelength camera for imaging the launch pad. The beamformed noise maps will be superimposed on the video footages collected by the cameras for correct identification of the noise sources. The array is tested with very loud speaker sources to determine the beamforming ability using different schemes, such as the conventional beamforming, orthogonal-functional beamforming, and spectral element methods. A comparative study was conducted to determine the minimum attainable spatial resolution. Data from a validation test in an outdoor setup, where the array was placed on a Telehandler at several different heights and distances from either a single or a pair of speakers, is presented in this paper. The final goal is to use the array during NASA’s Artemis-II launch to determine the distribution of noise sources on the Mobile Launcher.

Acoustics↗
DOE OSTI2021

Carbon decorated Li 3 V 2 (PO 4 ) 3 for high-rate lithium-ion batteries: Electrochemical performance and charge compensation mechanism

Fast charging and high-power delivering batteries are highly demanded in mobile electronics, electric vehicles and grid energy storage, but there are full of challenges. The star-material Li 3 V 2 (PO 4 ) 3 is demonstrated as a promising high-rate cathode material meeting the above requirements. Herein, we report the carbon decorated Li 3 V 2 (PO 4 ) 3 (LVP/C) cathode prepared via a facile method, which displays a remarkable high-rate capability and long-term cycling performance. Briefly, the prepared LVP/C delivers a high discharge capacity of 122 mAh g -1 (~93% of the theoretical capacity) at a high rate up to 20 C and a superior capacity retention of 87.1% after 1000 cycles. Importantly, by applying a combination of X-ray absorption spectroscopy and full-range mapping of resonant inelastic X-ray scattering, we clearly elucidate the structural and chemical evolutions of LVP upon various potentials and cycle numbers. Furthermore, we show unambiguous spectroscopic evidences that the evolution of the hybridization strength between V and O in LVP/C as a consequence of lithiation/delithiation is highly reversible both in the bulk and on the surface during the discharge-charge processes even over extended cycles, which should be responsible for the remarkable electrochemical performance of LVP/C. Our present study provides not only an effective synthesis strategy but also deeper insights into the surface and bulk electrochemical reaction mechanism of LVP, which should be beneficial for the further design of high-performance LVP electrode materials.

25 ENERGY STORAGE↗
DOE OSTI2022

Multi-objective optimization of root phenotypes for nutrient capture using evolutionary algorithms

Root phenotypes are avenues to the development of crop cultivars with improved nutrient capture, which is an important goal for global agriculture. The fitness landscape of root phenotypes is highly complex and multidimensional. It is difficult to predict which combinations of traits (phene states) will create the best performing integrated phenotypes in various environments. Brute force methods to map the fitness landscape by simulating millions of phenotypes in multiple environments are computationally challenging. Evolutionary optimization algorithms may provide more efficient avenues to explore high dimensional domains such as the root phenotypic space. We coupled the three-dimensional functional–structural plant model, SimRoot, to the Borg Multi-Objective Evolutionary Algorithm (MOEA) and the evolutionary search over several generations facilitated the identification of optimal root phenotypes balancing trade-offs across nutrient uptake, biomass accumulation, and root carbon costs in environments varying in nutrient availability. Our results show that several combinations of root phenes generate optimal integrated phenotypes where performance in one objective comes at the cost of reduced performance in one or more of the remaining objectives, and such combinations differed for mobile and non-mobile nutrients and for maize (a monocot) and bean (a dicot). Functional–structural plant models can be used with multi-objective optimization to identify optimal root phenotypes under various environments, including future climate scenarios, which will be useful in developing the more resilient, efficient crops urgently needed in global agriculture.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

An Impedance-Based Complexity Metric for Unmanned Aircraft System Traffic Scenario Classification

This paper introduces an impedance-based metric to capture the complexity of a given unmanned aircraft system traffic scenario. The metric accounts for both the number of aircraft and the traffic flow pattern. The work presented here extends an earlier approach that introduced another scenario complexity metric based on the number of potential conflicts weighted by the conflict resolution cost associated. Complexity measurements for randomly-generated scenarios were produced through high-fidelity fast-time simulations and treated as baseline. Then the impedance based metric was evaluated, for the same scenarios, without the need for an actual flight simulation and a conflict resolution method. The results show that the impedance-based metric has a strong correlation to the baseline data and performs marginally better than the weighted conflict-based complexity metric introduced in the earlier work. The metric computation generates impedance maps which are useful for identifying high complexity regions in a scenario, where flight plan changes might be necessitated. This metric can therefore be used, in conjunction with other complexity metrics, to inform adequate traffic management strategies and classify a traffic scenario as acceptable, unacceptable or acceptable with changes made to flight plans that pass through the high complexity regions. The metric can also be used as a guidance metric for strategic conflict management methods.

Complexity↗
NASA NTRSDate not supplied

Acoustic Characterization of the NASA Langley 14- by 22-Foot Subsonic Tunnel using a Phased Array

A characterization test was conducted in the NASA Langley Research Center 14- by 22-Foot Subsonic Tunnel to assess recent acoustic modifications in the facility. Test section reflectivity, background noise and shear layer effects were evaluated by taking measurements of known noise sources. Both conventional speakers and a high-pressure air source were employed as noise generation mechanisms. These were mounted to a pole or fairing at a consistent location in the test section. The source waveforms were used to represent the expected frequency content of scaled Urban Air Mobility vehicles. Acoustic measurements were taken using two unique microphone arrays placed outside the core flow, one of which was a 54-element streamwise-traversing phased array. The other was an 11-element linear tower array. The applicability of phased array acoustic beamforming techniques to mitigate shear layer effects and reject background noise is presented. Additionally, beamforming results are compared to results from single-microphone processing techniques. Flow speeds investigated ranged from Mach 0.00 (static) to Mach 0.12. The tunnel has been partially acoustically treated but still exhibits flow noise, reducing the signal-to-noise ratio of the source under investigation. Conventional beamforming was able to capture high frequency content passing through the shear layer better than single microphone measurements. CLEAN deconvolution improves source mapping at low frequencies.

phased array↗
DOE OSTI2021

Unravel unusual hardening behavior of a Pd–Ni–P metallic glass in its supercooled liquid region

Monolithic metallic glasses often exhibit work softening induced by high atom mobility in the supercooled liquid region in tension. In this work, we report an unusual viscous flow of the Pd 42.5 Ni 42.5 P 15 metallic glass in its supercooled liquid region, which is characterized by a remarkable hardening behavior with decent plasticity during tension. To unravel the causes of this unusual hardening, we conducted structural and thermodynamic analyses by employing several experiments, including dynamic mechanical analysis, differential scanning calorimetry, high-resolution transmission electron microscopy, and in situ heating synchrotron high-energy x-ray diffraction. It was found that the unusual hardening behavior was attributed to structural ordering during deformation, rather than nanocrystallization or structural relaxation observed, sometimes, in metallic glasses deformed in supercooled liquid region. We also incorporated an additional work hardening region in the modified deformation map for metallic glasses.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Cockpit weather graphics using mobile satellite communications

Many new companies are pushing state-of-the-art technology to bring a revolution in the cockpits of General Aviation (GA) aircraft. The vision, according to Dr. Bruce Holmes - the Assistant Director for Aeronautics at National Aeronautics and Space Administration's (NASA) Langley Research Center, is to provide such an advanced flight control system that the motor and cognitive skills you use to drive a car would be very similar to the ones you would use to fly an airplane. We at ViGYAN, Inc., are currently developing a system called the Pilot Weather Advisor (PWxA), which would be a part of such an advanced technology flight management system. The PWxA provides graphical depictions of weather information in the cockpit of aircraft in near real-time, through the use of broadcast satellite communications. The purpose of this system is to improve the safety and utility of GA aircraft operations. Considerable effort is being extended for research in the design of graphical weather systems, notably the works of Scanlon and Dash. The concept of providing pilots with graphical depictions of weather conditions, overlaid on geographical and navigational maps, is extremely powerful.

Seth, Shashi↗
DOE OSTI2023

I Know I'm Right, But Does My Phone?

Transportation is the largest source of green-house gas emissions in the United States. Reducing transportation emissions depends on human travel behavior, which relies on local land use and planning. Travel diaries, consisting of sequences of trips between places for a particular individual, are typically used to instrument human travel behavior. However, these diaries are only as accurate as the underlying methods used to construct them. Travel diary algorithms have been a popular research topic since the advent of GPS tracking surveys. Mode inference algorithms in particular have been well represented in literature. However, these algorithms have typically been validated using prompted recall of pre-segmented trips, which doesn't account for segmentation error, thus disregarding the continuity of mode inference. Furthermore, phone operating systems and applications have adopted battery-conserving techniques, but we are not aware of prior work that has characterized the resulting data collection errors or evaluated procedures to mitigate them. We introduce a framework to evaluate accuracy of trip length computations and mode inference. We develop a temporal alignment procedure in analyzing continuous mode-segmented trajectories for groups of trips. We then apply our framework to evaluate an example set of travel diary algorithms from the open-source OpenPATH travel diary platform against MobilityNet, a public dataset containing information from three artificial timelines that cover 15 different travel modes. Our results show that inference based on an integration with map features results in weighted F_1 scores of 0.60 (iOS) and 0.74 (android). We also show that OpenPATH tends to under count trip length, with mean of signed relative error of -0.0438 on android and -0.0704 on iOS. We hope that other travel diary algorithms will be evaluated using this standardized process, and that the results used to understand and improve the state-of-the-art in this field.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
NASA NTRS1993

Lunar rover navigation concepts

With regard to the navigation of mobile lunar vehicles on the surface, candidate techniques are reviewed and progress of simulations and experiments made up to now are described. Progress that can be made through precursor investigations on Earth is considered. In the early seventies the problem was examined in a series of relevant tests made in the California desert. Meanwhile, Apollo rovers made short exploratory sorties and robotic Lunokhods traveled over modest distances on the Moon. In these early missions some of the required methods were demonstrated. The navigation problem for a lunar traverse can be viewed in three parts: to determine the starting point with enough accuracy to enable the desired mission; to determine the event sequence required to reach the site of each traverse objective; and to redetermine actual positions enroute. The navigator's first tool is a map made from overhead imagery. The Moon was almost completely photographed at moderate resolution by spacecraft launched in the sixties, but that data set provides imprecise topographic and selenodetic information. Therefore, more advanced orbital missions are now proposed as part of a resumed lunar exploration program. With the mapping coverage expected from such orbiters, it will be possible to use a combination of visual landmark navigation and external radio and optical references (Earth and Sun) to achieve accurate surface navigation almost everywhere on the near side of the Moon. On the far side and in permanently dark polar areas, there are interesting exploration targets where additional techniques will have to be used.

Burke, James D.↗
NASA NTRS2025

Large Impact Features on Ganymede and Callisto as Revealed By Geological Mapping and Morphometry

The icy Galilean satellites are host to a broad range of impact feature morphologies. Hypotheses seeking to explain the diversity of these impact features consider the effects of impact melt, the physical state of the subsurface at the time of impact, and the impactor characteristics. As part of a larger effort to assess the role of these factors in the formation and evolution of these impact features, we have performed topographic and geological mapping of 19 large impact features on Ganymede and Callisto. These are divided into two main morphological groups: craters (subdivided into pit, dome, and anomalous dome craters), and penepalimpsests/palimpsests. The transitions from pit, dome, to anomalous dome craters appear to be size-dependent up to diameters of ∼170 km. The morphologies of pit and dome craters appear to be independent of their age or geologic context. The impacts that formed them only affected a cold, rigid ice layer, with the development of pits and raised annuli on their floors possibly stemming from the evolution of a pocket of impact melt. The subdued rims and floors of anomalous dome craters indicate the increasing effect of a weak, warm ice layer on impact feature morphology with increasing size, but their prominent annuli and pits indicate that mobilization of impact melt is also a factor. The very low topographic relief of older penepalimpsests and palimpsests indicates that their impacts penetrated the ice shell to mobilize very large volumes of pre-existing liquid from a subsurface layer, with little contribution to the final feature morphology from impact melt. Penepalimpsests are distinguished from palimpsests by the higher frequency of concentric ridges within their interiors, indicating a generally more robust state of the subsurface that could better support the rotation and uplift of solid material during impact, even if a crater-like depression could not be supported. A few impact features seem to be transitional between anomalous dome craters and penepalimpsests, and the overlap of anomalous dome craters, penepalimpsests, and palimpsests in terms of diameter as well as age indicates that impactor size and subsurface properties over time are major factors in determining which of these morphologies emerges.

Oliver L White↗
DOE OSTI2023

Ab Initio Dynamics of Graphene and Graphyne Electrodes in Vacuum and in the Presence of Electrolytes

Graphene and graphyne electrodes are both relevant for electrochemical energy storage applications due to their unique physical, chemical, and electronic properties. Graphyne has been considered even more attractive than graphene due to its larger specific surface area, greater electronic mobility, and intrinsic band gap. The analyses presented in this work reveal relevant features of graphyne in an interaction with an electrolyte that can be useful for practical applications. Although there is already a considerable volume of work on graphyne, the analysis of its properties taking into account the dynamics of its network and the interaction with the condensed medium has not yet been presented. Here, ab initio molecular dynamics simulations were performed to study the energetic, structural, spectroscopic, and electronic properties of graphene and graphyne electrodes in vacuum and in the presence of an electrolyte (EMIM-BF 4 ). A detailed analysis of the electrode–electrolyte interaction is reported for both systems. Structural features are presented in terms of both radial and spatial distribution functions and angular orientation distributions. Power spectral analyses and molecular orbital maps provided important insights into the intermolecular interactions in graphene and graphyne systems, describing the main differences as well as revealing similarities between them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗