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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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DOE OSTI2023

Accelerating discrete dislocation dynamics simulations with graph neural networks

Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the computational cost of DDD simulations remains a bottleneck that limits its range of applicability. Here, we introduce a new DDD-GNN framework in which the expensive time-integration of dislocation motion is entirely substituted by a graph neural network (GNN) model trained on DDD trajectories. As a first application, we demonstrate the feasibility and potential of our method on a simple yet relevant model of a dislocation line gliding through an array of obstacles. We show that the DDD-GNN model is stable and reproduces very well unseen ground-truth DDD simulation responses for a range of straining rates and obstacle densities, without the need to explicitly compute nodal forces or dislocation mobilities during time-integration. Our approach opens new promising avenues to accelerate DDD simulations and to incorporate more complex dislocation motion behaviors.

36 MATERIALS SCIENCE↗

DOE OSTI2023

CRADA Number NFE-20-08292 with Quantum Lock Technologies LLC (CRADA Final Report)

At Quantum Lock Technologies, our mission is to use future-proof hardware and software to bridge the gap between physical access control and cyber security. Physical security includes access to doors, lockboxes/containers, and machinery/robots. Connecting physical access control to the cloud allows for remote detection, fast ledger updates, and mobile or remote access. However, this also opens physical security up to the world of cyber-attacks. At Quantum Lock, we use quantum random number generation to generate completely random and unpredictable digital keys to be used by connected equipment in a facility. This quantum technology is then paired with end-to-end encryption and a one-time-key communication protocol to ensure the highest level of security. Through the Innovation Crossroads program at Oak Ridge National Laboratory, we have developed benchtop prototypes of our technology, connected with utility boards as our first target customers, and prepared for our first pilot with customers (target end of summer 2022).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Quantum Lock Technologies: Innovation Crossroads Final CRADA Report

42 ENGINEERING↗

NASA NTRS1979

Alteration in CM carbonaceous chondrites inferred from modal and chemical variations in matrix

The modal abundance of matrix in CM chondrites appears to vary from 57-85 vol%. The concentrations of volatile elements that should occur in matrix remain approximately constant despite differences in the proportions of matrix, suggesting that the differing matrix contents may not be real primary variations but are optical effects due to aqueous alteration processes that make other petrologic components unrecognizable. Apparent matrix content can be used as a qualitative measure of the degree of alteration experienced by each CM chondrite. Fe/Si ratios in matrices decrease progressively with increasing alteration due to the formation of new phyllosilicate phases with higher Mg/Fe ratios and optically recognizable opaque minerals that are not counted as matrix. The aqueous alteration process in CM chondrites appears to have been largely isochemical if the bulk meteorites are considered as the reacting systems, although depletion patterns and isotopic anomalies indicate open-system behavior for a few highly mobile components.

Mcsween, H. Y., Jr.↗

NASA NTRS1992

Ozone Measurements with the US EPA UV-DIAL: Preliminary Results

A compact airborne down-looking lidar system was developed at the Environmental Protection Agency in Las Vegas. This differential absorption lidar (DIAL) was designed to simultaneously measure range-resolved concentrations of ozone (O3) and sulfur dioxide (SO2) in the lower troposphere, together with an indication of the aerosol distribution. The five laser wavelengths (i.e., lambda(sub 1) = 277 nm, lambda(sub 2) = 292 nm, lambda(sub 3) = 313 nm, lambda(sub4) = 319 nm, lambda(sub 5) = 369 nm) were generated via Raman conversion of a focused KrF excimer laser. The system is currently installed in a truck-based mobile laboratory. For the ground testing, an opening in the truck floor together with a folding mirror under the truck makes a horizontal, or upwardly inclined direction of measurement possible. Initial ground testing has been performed in the vicinity of a Desert Research Institute (DRI) ambient air monitoring site, located at Cottonwood Cove approximately 85 km south east of Las Vegas, Nevada. At this site O3 and SO2 concentrations are continuously monitored with an average accuracy better than +/- 10 percent. A temporary ozone measurement station with identical accuracy was set up at a distance to get a second point of comparison for the range-resolved DIAL measurements.

Moosmueller, H.↗

DOE OSTI2021

An unprecedented quinoid–donor–acceptor strategy to boost the carrier mobilities of semiconducting polymers for organic field-effect transistors

Quinoidal–aromatic conjugated polymers hold great application potential in organic field-effect transistors (OFETs). However, the development of high mobility quinoidal–aromatic conjugated polymers still lags behind the more popular donor–acceptor (D–A) conjugated polymers, mainly owing to the lack of a rational design strategy and efficient building block. Herein, a novel quinoid–donor–acceptor (Q–D–A) strategy is demonstrated to modulate the energy-level and boost the charge carrier transport mobility of conjugated polymers as opposed to the D–A system. On the basis of this strategy, a quinoidal–aromatic conjugated polymer, namely PAQM-BT, is designed and synthesized. With the combined use of quinoid, donor and acceptor units in the backbone, the resulting Q–D–A polymer PAQM-BT displays the narrowest bandgap with the deepest-lying lowest unoccupied molecular orbital (LUMO) energy level, highest backbone coplanarity, enhanced thin-film crystallinity and smallest effective hole mass ($m^*_h$) in comparison with the corresponding D–A polymer PT3B1 and quinoid–donor (Q–D) polymer PAQM-3T. Benefitting from the more effective intra- and inter-chain charge transport, as corroborated by experiment and theoretical calculations, OFET devices based on PAQM-BT exhibit a highly boosted hole mobility of up to 5.10 cm 2 V -1 s -1 , which is one and four orders of magnitude higher than that of PAQM-3T and PT3B1, respectively, and is among the highest for quinoidal–aromatic conjugated polymers. Finally, the potent Q–D–A strategy not only allows the energy level to be modulated but also leads to effective charge carrier transport, opening up possibilities to the development of high mobility quinoidal–aromatic conjugated polymers based on a variety of quinoids, donors, and acceptors.

36 MATERIALS SCIENCE↗

NASA NTRS2005

Rough and Steep Terrain Lunar Surface Mobility

In the summer of 2004, the NASA Exploration Systems Mission Directorate conducted an open call for projects relevant to human and robotic exploration of the Earth-Moon and Mars systems. A project entitled 'Rough and Steep Terrain Lunar Surface Mobility' was submitted by JPL and accepted by NASA. The principal investigator of this project describes the robotic vehicle being developed for this effort, which includes six 'wheels-on-legs' so that it can roll efficiently on relatively smooth terrain but walk (using locked wheels as footpads) when "the going gets rough".

rough↗

DOE OSTI2024

Beyond Ion Migration in Metal Halide Perovskites: Toward a Broader Photoelectrochemistry Perspective

Ion migration is a broad term used to account for the degradation of halide perovskite materials and devices. However, ion mobility is only one piece of the full picture-mobile ions/defects are first created, then transported, and eventually annihilated or immobilized. In this Perspective, we summarize emerging work that shows how tractable photochemical and Faradaic reactions provide a continuous source of ions to migrate. Furthermore, we discuss strategies to fundamentally manipulate ion migration by targeting specific electrochemical and reduction/oxidation mechanisms. This highlights the important role of defect photoelectrochemistry, as well as the soft nature of the perovskite lattice, in ion migration and self-healing. We conclude that distinguishing more detailed processes involved in “ion migration”, with an emerging focus on the reactions that form mobile ionic defects, is necessary to greatly improve the stability of devices and open up more technological applications.

defects↗

DOE OSTI2022

Traps and transport resistance are the next frontiers for stable non-fullerene acceptor solar cells

Stability is one of the most important challenges facing material research for organic solar cells (OSC) on their path to further commercialization. In the high-performance material system PM6:Y6 studied here, we investigate degradation mechanisms of inverted photovoltaic devices. We have identified two distinct degradation pathways: one requires the presence of both illumination and oxygen and features a short-circuit current reduction, the other one is induced thermally and marked by severe losses of open-circuit voltage and fill factor. We focus our investigation on the thermally accelerated degradation. Our findings show that bulk material properties and interfaces remain remarkably stable, however, aging-induced defect state formation in the active layer remains the primary cause of thermal degradation. The increased trap density leads to higher non-radiative recombination, which limits the open-circuit voltage and lowers the charge carrier mobility in the photoactive layer. Furthermore, we find the trap-induced transport resistance to be the major reason for the drop in fill factor. Our results suggest that device lifetimes could be significantly increased by marginally suppressing trap formation, leading to a bright future for OSC.

14 SOLAR ENERGY↗

NASA NTRS1994

Comparative performance of a modified Space Shuttle Reentry Anti-G Suit (REAGS) with and without pressure socks

In a prior study, the Armstrong Laboratory (AL) demonstrated that +G(sub z) protection during simulated shuttle reentry could be improved with an extended coverage anti-G suit with pressure socks but no abdominal bladder (REAGS). In a subsequent study conducted at the NASA Johnson Space Center it was shown that REAGS had a down side which included restricted mobility (during simulated shuttle egress) and a larger boot size needed for the pressure socks. The present study was conducted using a modified REAGS to increase mobility during egress. The size of the crotch opening was increased, and the fabric covering the buttocks was replaced with more elastic material. Six healthy male members of the AL centrifuge panel served as subjects for the study. As in the earlier study, subjects received 20 to 35 mg of IV Lasix approximately 6 hours before being exposed to a simulated space shuttle reentry +G(sub z) profile on the AL centrifuge, which induced a mean weight loss of 2.8 percent, range 2.1 percent to 3.7 percent. The REAGS was inflated to 1.0 psig 10 minutes prior to G onset. The G-profile was identical to that used in the previous REAGS study. Physiologic parameters monitored were also the same, i.e., eye-level systolic blood pressure (ELBP) using the Finapres digital cuff technique and heart rate and rhythm. Subjective comments were obtained from questionnaires administered after the increased G exposure. Systolic ELBP was maintained at 60 mm Hg or above by pressurizing the anti-G suit in 0.5 psig increments up to a maximum pressure of 2.5 psig. There were no significant differences in mean G-suit pressure required to maintain systolic ELBP at 60 mm Hg or above between the REAGS worn with and without pressure socks. Maximum mean G-levels achieved during the GOR were also the same under both experimental conditions, i.e., 4.7 G with socks and 4.6 G without socks. These G-levels were essentially the same as recorded earlier with the unmodified REAGS. There were no significant differences in comfort rating during the G exposure assigned by subjects when they wore the modified REAGS with or without the pressure socks.

Krutz, R. W., Jr.↗

NASA NTRS2017

An Analysis of Coordinated Observations from NOAA's Ronald Brown Ship and G-IV Aircraft in a Landfalling Atmospheric River over the North Pacific During CalWater-2015

To gain a more complete observational understanding of atmospheric rivers (ARs) over the data-sparse open ocean, we used a diverse suite of mobile observing platforms deployed on NOAAs Ronald H. Brown (RHB) research vessel and G-IV research aircraft during the CalWater-2015 field campaign to describe the structure and evolution of a long-lived AR modulated by six frontal waves over the northeastern Pacific on 20-25 January 2015. Satellite observations and reanalysis diagnostics provided synoptic-scale context, illustrating the warm, moist southwesterly airstream within the quasi-stationary AR situated between an upper-level trough and ridge. The AR remained offshore of the U.S. West Coast but made landfall across British Columbia where heavy precipitation fell. Forty-seven rawinsondes launched from the RHB provided a comprehensive thermodynamic and kinematic depiction of the AR, including uniquely documenting an upward intrusion of strong water-vapor transport in the low-level moist southwesterly flow during the passage of frontal waves 2 through 6. A collocated 1290-MHz wind profiler showed an abrupt frontal transition from southwesterly to northerly flow below 1 km MSL coinciding with the tail-end of AR conditions. Shipborne radar and disdrometer observations in the AR uniquely captured key microphysical characteristics of shallow warm rain, convection, and deep mixed-phase precipitation. Novel observations of sea-surface fluxes in a midlatitude AR documented persistent ocean-surface evaporation and sensible-heat transfer into the ocean. The G-IV aircraft flew directly over the ship, with dropsonde and radar spatial analyses complementing the temporal depictions of the AR from the RHB. The AR characteristics varied, depending on the location of the cross section relative to the frontal waves.

atmospheric rivers↗

DOE OSTI2022

Developing an Interactive Landscape for Mobility Resources: Preprint

As the world continues to be increasingly driven by data, the ways researchers and professionals sort and collect this data is critical. In the world of mobility data, new levels of data from public transportation systems, location services, and other means are being lost due to how little organization exists. Much of the data is proprietary, and there are few if any de jure or even de facto standards connecting data. There is also little knowledge about the gaps that exist in the data. In this project, we created an interactive landscape where mobility resources are categorized and organized in an easy to use, living document. We made this landscape with open-source code from the CNCF Cloud Native Landscape and repurposed it to the mobility data's needs. Additionally, unlike previous sources that organize mobility data, this document can be updated through GitHub by those in the field to keep its sources relevant. Following the creation of a beta version of the landscape, we conducted several interviews with industry researchers and professionals to ensure the landscape would be useful. The result is an online hub where mobility researchers and resource creators can easily access research and collaborate.

ADVANCED PROPULSION SYSTEMS↗

NASA NTRSDate not supplied

Multidisciplinary Optimization of an Electric Quadrotor Urban Air Mobility Aircraft

Urban Air Mobility (UAM) vehicles have the potential to augment urban transportation systems, allowing passengers to skip the traffic below for a fee. This emerging market is opening up the design space for a new class of Urban Air Mobility (UAM) vehicles which could be powered by electric propulsion systems to be economical and environmentally friendly. However, development of these UAM concepts presents several additional challenges in the design process. First, these concept designs require including new disciplinary models for subsystems including the electric motors, cables, batteries and thermal management systems. Second, correctly designing and evaluating these various subsystems requires tight coupling between the discipline models to capture interactions. This paper presents the continued development of a multidisciplinary design optimization environment to aid in the development of these vehicle concepts. The multidisciplinary environment fully couples the various subsystem models allowing for the full vehicle to be designed and optimized simultaneously. In this research, the developed modeling approach is demonstrated in the analysis of a small, all-electric quadrotor UAM concept. Results from these studies show that numerous disciplines can be tightly coupled and producing improved overall vehicle designs.

Multidisciplinary Optimization↗

NASA NTRSDate not supplied

Generic Urban Air Mobility Simulation

This research presents a simulation framework for autonomous research for a UAM vehicle using the NASA Revolutionary Vertical Lift Technology Lift+Cruise concept vehicle. Our research results were produced using the open-source, six degree of freedom, rigid-body, nonlinear generic urban air mobility (GUAM) simulation. The intent of this paper is to demonstrate the GUAM simulation and a series of Challenge Problems that our researchers have posed to the broader autonomous vehicle research community. Our team has developed the GUAM simulation for the express purpose of providing a high-fidelity transition vehicle dynamics model to foster collaboration and algorithm performance comparison across research teams. In this paper, we demonstrate some of the autonomous flight research challenges and some of our current approaches to tackling basic autonomous flight tasks (e.g., trajectory following, stationary and moving obstacle avoidance). Additionally, we propose some flight metrics to assess autonomous algorithm performance while accomplishing these basic autonomous tasks.

autonomous flight↗

DOE OSTI2026

BEAM CORE: A Flexible Ecosystem for Freight, Demographics, and Vehicle Analysis

The Behavior, Energy, Autonomy, and Mobility Comprehensive Regional Evaluator (BEAM CORE) is an open-source, modular ecosystem of highly refined, agent-based modeling tools developed by Lawrence Berkeley National Laboratory and the National Laboratory of the Rockies. Organizations such as metropolitan planning organizations, agencies, and companies can use BEAM CORE to analyze freight movement and optimize logistics solutions, assess the impacts of emerging freight technologies or e-commerce trends, model dynamic population growth and evolution, and understand the drivers and impacts of electric vehicle adoption across households in a given region. Users can choose from a flexible suite of modeling modules according to their needs and priorities. The modules integrate with travel demand models to support enhanced analysis of diverse scenarios involving freight movement, vehicle technologies, and other key factors relevant to regional planning.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2011

Atomic Simulation of Complex DNA DSBs and the Interactions with the Ku70/80 Heterodimer

DNA double strand breaks (DSBs) induced by ionizing radiation (IR) usually contain modified bases such as 8-oxo-7,8-dihydroguanine (8-oxoG) and thymine glycol, apurinic/apyrimidinic (AP) sites, 2-deoxyribonolactone, or single-strand breaks (SSBs). The presence of such lesions in close proximity to the DSB terminus makes the DNA nicks more difficult to repair and rejoin than endogenously induced simple DSBs, and as such a major determinant of the biological effects of high linear energy transfer (LET) radiation as encountered in space travel. In this study we conducted molecular dynamics simulations on a series of DNA duplexes with various complex lesions of 8-oxoG and AP sites, in an effort to investigate the effects of such lesions to the structural integrity and stability of DNA after insulted by IR. We also simulated the interaction of such complex DSBs with the Ku70/80 heterodimer, the first protein in mammalian cells to embark the non-homologous end joining (NHEJ) DNA repair pathway. The results indicate, compared to DNA with simple DSBs, the complex lesions can enhance the hydrogen bonds opening rate at the DNA terminus, and increase the mobility of the whole duplex, thus they present more deleterious effects to the genome integrity if not captured and repaired promptly in cells. Simulations also demonstrate the binding of Ku drastically reduces structural disruption and flexibility caused by the complex lesions, and the interactions of Ku with complex DSBs have a different potential energy landscape from the bound structure with simple DSB. In all complex DSBs systems, the binding of DSB terminus with Ku70 is softened while the binding of the middle duplex with Ku80 is tightened. This energy shift may help the Ku protein to secure at the DSB terminus for a longer time, so that other end processing factors or repair pathways can proceed at the lesions before NHEJ repair process starts. These atomic simulations may provide valuable new insight into the selective action of repair proteins on damaged DNA.

Hu, Shaowen↗

NASA NTRS2011

Atomistic Simulations of Complex DNA DSBs and the Interactions with Ku70/80 Heterodimer

Compared to DNA with simple DSBs, the complex lesions can enhance the hydrogen bonds opening rate at the DNA terminus, and increase the mobility of the whole duplex. Binding of Ku drastically reduces the structural disruption and flexibility caused by the complex lesions. In all complex DSBs systems, the binding of DSB terminus with Ku70 is softened while the binding of the middle duplex with Ku80 is tightened. Binding of Ku promotes the rigidity of DNA duplexes, due to the clamp structure of the inner surface of the rings of Ku70/80.

Hu, Shaowen↗

NASA NTRS2018

Future of Venus Research and Exploration

Despite the tremendous progress that has been made since the publication of the Venus II book in 1997, many fundamental questions remain concerning Venus' history, evolution and current geologic and atmospheric processes. The international science community has taken several approaches to prioritizing these questions, either through formal processes like the Planetary Decadal Survey in the United States and the Cosmic Vision in Europe, or informally through science definition teams utilized by Japan, Russia, and India. These questions are left to future investigators to address through a broad range of research approaches that include Earth-based observations, laboratory and modeling studies that are based on existing data, and new space flight missions. Many of the highest priority questions for Venus can be answered with new measurements acquired by orbiting or in situ missions that use current technologies, and several plausible implementation concepts have been studied and proposed for flight. However, observations needed to address some science questions pose substantial technological challenges, for example, long term survival on the surface of Venus and missions that require surface or controlled aerial mobility. Missions enabled by investments in these technologies will open the door to completely new ways of exploring Venus to provide unique insights into Venus's past and the processes at work today.

Glaze, Lori S.↗