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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Using Data-Science Approaches to Unravel Insights for Enhanced Transport of Lithium Ions in Single-Ion Conducting Polymer Electrolytes

Solid polymer electrolytes have yet to achieve the desired ionic conductivity (>1 mS/cm) near room temperature required for many applications. This target implies the need to reduce the effective energy barriers for ion transport in polymer electrolytes to around 20 kJ/mol. In this work, we combine information extracted from existing experimental results with theoretical calculations to provide insights into ion transport in single-ion conductors (SICs) with a focus on lithium ion SICs. Through the analysis of temperature-dependent ionic conductivity data obtained from the literature, we evaluate different methods of extracting energy barriers for lithium transport. The traditional Arrhenius fit to the temperature-dependent ionic conductivity data indicates that the Meyer–Neldel rule holds for SICs. However, the values of the fitting parameters remain unphysical. Our modified approach based on recent work (Macromolecules 2023, 56, 15, 6051), which incorporates a fixed pre-exponential factor, reveals that the energy barriers exhibit temperature dependence over a wide range of temperatures. Using this approach, we identify anions leading to the energy barriers <30 kJ/mol, which include trifluoromethane sulfonimide (TFSI), fluoromethane sulfonimide (FSI), and boron-based organic anions. In our efforts to design the next generation of anions, which can exhibit the energy barriers <20 kJ/mol, we have performed density functional theory (DFT) based calculations to connect the chemical structures of boron-based anions via the binding energy of cation (lithium)-anion pairs with the experimentally derived effective energy barriers for ion hopping. Not only have we identified a correlation between the binding energy and the energy barriers, but we also propose a strategy to design new boron-based anions by using the correlation. This combined approach involving experiments and theoretical calculations is capable of facilitating the identification of promising new anions, which can exhibit ionic conductivity >1 mS/cm near room temperature, thereby expediting the development of novel superionic single-ion conducting polymer electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Data collection from crystals grown in microfluidic droplets

Protein crystals grown in microfluidic droplets have been shown to be an effective and robust platform for storage, transport and serial crystallography data collection with a minimal impact on diffraction quality. Single macromolecular microcrystals grown in nanolitre-sized droplets allow the very efficient use of protein samples and can produce large quantities of high-quality samples for data collection. However, there are challenges not only in growing crystals in microfluidic droplets, but also in delivering the droplets into X-ray beams, including the physical arrangement, beamline and timing constraints and ease of use. Here, the crystallization of two human gut microbial hydrolases in microfluidic droplets is described: a sample-transport and data-collection approach that is inexpensive, is convenient, requires small amounts of protein and is forgiving. It is shown that crystals can be grown in 50–500 pl droplets when the crystallization conditions are compatible with the droplet environment. Local and remote data-collection methods are described and it is shown that crystals grown in microfluidics droplets and housed as an emulsion in an Eppendorf tube can be shipped from the US to the UK using a FedEx envelope, and data can be collected successfully. Details of how crystals were delivered to the X-ray beam by depositing an emulsion of droplets onto a silicon fixed-target serial device are provided. After three months of storage at 4°C, the crystals endured and diffracted well, showing only a slight decrease in diffracting power, demonstrating a suitable way to grow crystals, and to store and collect the droplets with crystals for data collection. This sample-delivery and data-collection strategy allows crystal droplets to be shipped and set aside until beamtime is available.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

Stability and control over the supersonic and hypersonic speed range

The performance and aerodynamic characteristics of the Space Shuttle Columbia are analyzed over the speed range from Mach 2 to 26 using flight data taken from the first five Space Transportation System flights. These data are used to reconstruct the entry trajectory, calculate vehicle performance, and estimate lateral stability and control derivatives including those assocated with the onboard Reaction Control System. The trajectory reconstruction process is discussed in its relationship to the determination of the vehicle flight characteristics. Vehicle performance results are presented which show that lift and drag were generally overpredicted by 3 percent and that the life-to-drag ratio was underpredicted by 1 percent. Anomalies in pitching-moment trim characteristics are shown and noted to be due to real-gas and Mach-number effects. Lateral stability and control derivatives estimated using programmed test input maneuvers are corrected with preflight predictions and are usually within the uncertainties associated with the predictions. The lateral reaction-control system effectiveness is evaluated.

Compton, H. R.↗
NASA NTRSDate not supplied

Impacts of Non-Simultaneous Global Photospheric Magnetic Measurements on Coronal and Solar Wind Modeling

The intensity and arrival time of coronal mass ejections (CMEs) can be significantly influenced by the background solar wind encountered as they propagate outward from the Sun into the interplanetary medium. In addition, solar energetic particles (SEPs) race ahead of CME shock fronts and flare regions along magnetic field lines largely determined by the background solar wind. Predicting the solar wind accurately is therefore critical for improving forecasts of CMEs, SEPs, and high-speed streams. Modeling of the corona and solar wind is challenging in general, as it is highly dependent on global photospheric magnetic field maps, which serve as the boundary conditions to all coronal models that drive solar wind models. Unfortunately, less than half of the Sun’s photospheric magnetic field is reliably measured from any given vantage point and thus it is common for the maps to have highly dated and unreliable measurements in them. While Solar Obiter (SolO) now provides for the first time the opportunity to have simultaneous measurements of nearly the entire surface magnetic field of Sun (e.g., when SolO/PHI measurements are combined with those from SDO/HMI), the required alignment to accomplish this occurs only occasionally. Further, coronal models are extremely sensitive to the strengths of the polar magnetic fields of the Sun, which remain poorly observed. Recently, efforts to mitigate this problem include using flux transport models such as the Air Force Data Assimilative Photospheric Flux Transport (ADAPT) model, which evolves the field forward in time using well known transport processes occurring on the Sun. However, it cannot account for the emergence of new magnetic flux without direct observations. The ESA VIGIL mission will eventually provide continuous observations from the L5, and the proposed SunCHASER mission will likewise do this at the L4 vantage point should it be funded. Ultimately, what is needed is a constellation of spacecraft distributed around the Sun with magnetographs that continuously measure the global surface magnetic field. In this talk, we discuss how the lack of simultaneous global measurements of the photospheric magnetic field adversely impacts the predictive performance of coronal and solar wind models.

C. Nick Arge↗
NASA NTRS1999

Simulation of Ozone and Long Lived Tracers in the GSFC Two-Dimensional Model

The GSFC two-dimensional transport and chemistry model has been used for a wide variety of scientific and assessment studies of stratospheric ozone. Transport is a key element in the ozone simulations, and we have recently upgraded our model transport formulation to include much of the information about atmospheric transport processes available from existing data sets. To properly evaluate the model transport, it is desirable to examine the effects of transport and photochemistry separately. Recently, high quality observations of several long lived stratospheric tracers have become available from aircraft, balloon, and satellite measurement systems. This data provides a means to do a detailed model transport evaluation, as has been done in the recent Models and Measurements Intercomparison Project II. In this paper, we will discuss the GSFC 2D model simulations of ozone together with model-data comparisons of long lived tracers such as methane and the age of air transport diagnostic. We will show that the model can reproduce many of the transport-sensitive features observed in the stratosphere, and can compare reasonably well with measurements of both total ozone and long lived tracers simultaneously. We will also discuss the model deficiencies in simulating some of the detailed aspects of the observations.

Fleming, Eric L.↗
NASA NTRS2020

Simulation of a Full-Scale Crash Test of a Fokker F28 Fellowship Aircraft

In June 2019, a full-scale crash test of a Fokker F28 Fellowship aircraft was conducted as part of a joint National Aeronautics and Space Administration/Federal Aviation Administration (NASA/FAA) project to investigate the performance of transport aircraft under realistic crash conditions. The test objectives were to provide data for assessment of transport aircraft crash worthiness and to generate test data for model validation. The test article was loaded with transport aircraft seats in a 3+2 configuration. A total of 24 instrumented Anthropomorphic Test Devices (ATDs) were placed in the seats and restrained. The test article weighed 33,306-lb. and, during the crash test, impacted a 2-ft. high soil bed at 65.3-ft/s forward and 31.8-ft/s vertical velocity. The full-scale crash test was simulated using the commercial nonlinear explicit transient dynamic finite element code, LSDYNA®. This paper will provide a description of the test article and the crash test conditions, document the F28 full-scale model development, and present test-analysis comparisons in several categories including inertial properties, kinematic responses, structural acceleration responses, and airframe deformation and failure. In addition, test-analysis results will be quantified based on the International Organization for Standardization (ISO) 16250 curve comparison methodology.

Jackson, Karen E.↗
DOE OSTI2022

Benchmarking of ENDF/B-VIII.0 cross sections for LWR ex-core transport applications

ENDF/B-VIII.0 cross section data is benchmarked on a simple Monte-Carlo model representative of the ex-core geometry of a PWR used for reactor vessel neutron fluence calculations. The benchmarking indicates that the ENDF/B-VIII.0 results show large differences as compared to previous evaluations, which have been extensively compared to measured data. This exercise suggests that ENDF/B-VIII.0 nuclear data is not suitable for ex-core LWR radiation transport applications. Evaluators are aware of the problems with the ENDF/B-VIII.0 evaluation of iron and work is underway to improve the evaluations for an upcoming release.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Assessment of Modeling and Nuclear Data Needs for Active Neutron Interrogation

This document is the primary deliverable for a scoping study proposed to DOE National Laboratory Announcement Number LAB 19-2114 in the NNSA research area. The study supports user applications employing active neutron interrogation by providing a science plan to improve the modeling capability and the nuclear data that radiation transport codes use. Users rely on the accuracy of the elastic scattering and non-elastic cross-sections spanning thermal energies to 14 MeV (and higher in some cases) for modeling the neutron transport through complex geometries of materials potentially composed of many elements. While the elastic scattering cross-section data are accepted for all commonly occurring elements, the non-elastic cross-section data and the associated emission data include reaction channels that require attention. The study focused on the non-elastic reactions that emit secondary, also known as prompt, gammas with the premise that many users would benefit from improved modeling of these reactions. Many users develop material assay technologies based upon gamma signatures from radiative capture, inelastic scattering, and reactions on low-Z isotopes emitting multiple particles, so the nuclear data gaps, modeling deficiencies, and recommendations for addressing the shortfalls were assessed for these reactions. Fission gammas were excluded from this study because there are other efforts underway to address known shortfalls. Follow-on efforts that successfully execute the recommendations will tangibly improve to the ability to model gamma signatures and backgrounds for user applications, such as controlled substance detection, oil-well logging, and space exploration.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Impacts of processing decisions on TNSL cross sections and their applications

Thermal neutron scattering law (TNSL) data describe low-energy neutrons scattering off of bound materials, and can have a significant impact on modeling any system with slow neutrons, including nuclear reactors. Previous work to introduce TNSL data to neutron transport codes at LLNL focused on COG and TART, with the limitation that these codes require highly specialized data processing and formatting. We have recently increased efforts to process TNSL data with the LLNL nuclear data processing code FUDGE. FUDGE reads and writes the evaluated and processed files using the generalized nuclear database structure (GNDS). This process uncovered some significant difficulties in processing TNSL data, and unearthed assumptions made in current TNSL data processing that we have found inadequate. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2012

Mesoscale Simulation Data for Initializing Fast-Time Wake Transport and Decay Models

The fast-time wake transport and decay models require vertical profiles of crosswinds, potential temperature and the eddy dissipation rate as initial conditions. These inputs are normally obtained from various field sensors. In case of data-denied scenarios or operational use, these initial conditions can be provided by mesoscale model simulations. In this study, the vertical profiles of potential temperature from a mesoscale model were used as initial conditions for the fast-time wake models. The mesoscale model simulations were compared against available observations and the wake model predictions were compared with the Lidar measurements from three wake vortex field experiments.

Ahmad, Nashat N.↗
DOE OSTI2022

Kinetic Model for Moisture-Controlled CO 2 Sorption

The understanding of the sorption/desorption kinetics is essential for practical applications of moisture-controlled CO 2 sorption. We introduce an analytic model of the kinetics of moisture-controlled CO 2 sorption and its interpretation in two limiting cases. In one case, chemical reaction kinetics on pore surfaces dominates, in the other case, diffusive transport through the sorbent defines the kinetics. Here, we show that reaction kinetics, which is dominant in the first case, can be expressed as a linear combination of 1st and 2nd order kinetics in agreement with the static isotherm equation derived and validated in a previous paper. The interior transport kinetics can be described by non-linear diffusion equations. By combining all carbon species into a single equation, we can eliminate — in certain limits — the source terms associated with chemical reactions. In this case, the governing equation is ∂θ/∂t = –∇ · (–D eff ∇ θ ). For a sorbent in a form of a flat sheet or a membrane, one can maintain the same functional form of a diffusion equation by introducing a generalized effective diffusivity D M that combines contributions from both surface chemical reaction kinetics and interior diffusive transport kinetics. Experimental data of transient CO 2 flux in a preconditioned commercial anion exchange membrane fit well to the 1st order model as long as very dry states are avoided, validating the theory. The observed DM for a preconditioned commercial anion exchange membrane ranges from 6.6× 10 -14 to 7.1× 10 -14 m 2 s -1 at 35°C. These small values compared to typical ionic diffusivities imply a very slow kinetics, which will be the largest issue that needs to be addressed for practical application. The collected transient CO 2 flux data are used to predict the magnitude of a continuous CO 2 pumping flux in an active membrane that transports CO 2 against a CO 2 concentration gradient. The pumped CO 2 flux is supported by water flux due to a water concentration gradient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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↗
DOE OSTI2021

Machine learning to discover mineral trapping signatures due to CO 2 injection

Mineral trapping is pursued as a geological CO 2 sequestration (GCS) mechanism because it permanently stores CO 2 in solid phases or minerals. However, CO 2 mineral-trapping mechanisms are poorly understood due to (1) lack of sufficient field and laboratory data characterizing these complex processes, and (2) challenges to develop site-specific reactive-transport models coupling fluid flow and geochemical reactions occurring at various temporal (from milliseconds to years) and spatial (from pore (millimeters) to field (kilometers)) scales. Reactive transport with additional complexities such as heterogeneity can make the simulation outputs even more difficult to interpret because of complex nonlinearity and multi-scale interdependencies. Furthermore, the values of model outputs such as concentrations can vary by several orders of magnitude, making it harder to correlate and characterize the impact of the variables via traditional data interpretation techniques such as exploratory data analyses. Recently, machine learning (ML) has shown promise in feature discovery and in highlighting hidden mechanisms that cannot be obtained by existing data-analytics and statistical methods. In this study, we applied an unsupervised ML approach, non-negative matrix factorization with custom -means clustering (NMF) to the data generated by reactive-transport simulations of GCS. The reactive-transport data consisted of 19 attributes, including four physio-chemical variables (pH, porosity, aqueous CO 2 , and sequestered CO 2 ), six chemical species (K + , Na + , HCO, Ca 2+ , Mg 2+ , Fe 2+ ), and four carbonate minerals (calcite, dolomite, siderite, and ankerite), a feldspar mineral (albite), and four clay minerals (illite, clinochlore, kaolinite, and smectite) over a period of 200 years of simulation time. Furthermore, the simulation data used was for Morrow B sandstone at the Farnsworth hydrocarbon unit in Texas. Data are sampled at two locations within the model domain: (1) at the injection well and (2) 200 m west of the injection well. The injection was performed for a period of 10 years. Using NMF, we estimated the temporal interdependencies among the 19 attributes over a span of 200 years. We found that NMF was able to identify four reaction stages and their dominant attributes; these cannot be directly discerned through traditional visualization (e.g., line plots, Pareto analysis, Glyph-based visualization methods) or exploratory data analysis tools of the simulation data. The four stages were: reactions in the injection phase followed by short-, mid-, and long-term reactions. The NMF analysis also revealed that 10 among the 19 attributes are dominant. These dominant attributes for mineral trapping include calcite, dolomite at injection well, siderite at 200 m away from the injection well, clinochlore, kaolinite, Na + , K + , Ca 2+ , Mg 2+ , pH, and aqeuous CO 2 . Finally, at late times (65–200 years), our results showed that calcite plays a major role in mineral trapping with insignificant contribution from siderite, ankerite, and clay minerals. These findings make the proposed unsupervised ML-model attractive for reactive-transport sensing towards real-time GCS monitoring.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Application of Remote Sensing to Assess the Impact of Short Term Climate Variability on Coastal Sedimentation

The purpose of this joint University of Wisconsin (UW) and Louisiana State University (LSU) project has been to relate short term climate variation to response in the coastal zone of Louisiana in an attempt to better understand how the coastal zone is shaped by climate variation. Climate variation in this case largely refers to variation in surface wind conditions that affect wave action and water currents in the coastal zone. The primary region of focus was the Atchafalaya Bay and surrounding bays in the central coastal region of Louisiana. Suspended solids in the water column show response to wind systems both in quantity (through resuspension) and in the pattern of dispersement or transport. Wind systems associated with cold fronts are influenced by short term climate variation. Wind energy was used as the primary signature of climate variation in this study because winds are a significant influence on sediment transport in the micro-tidal Gilf of Mexico coastal zone. Using case studies, the project has been able to investigate the influence of short term climate variation on sediment transport. Wind energy data, collected daily for National Weather Service (NWS) stations at Lake Charles and New Orleans, LA, were used as an indicator of short term climate variation influence on seasonal time scales. A goal was to relate wind energy to coastal impact through sediment transport. This goal was partially accomplished by combining remote sensing and wind energy data. Daily high resolution remote sensing observations are needed to monitor the complex coastal zone environment, where winds, tides, and water level all interact to influence sediment transport. The NASA Earth Observing System (EOS) era brings hope for documenting and revealing response of the complex coastal transport mosaic through regular high spatial resolution observations from the Moderate resolution Imaging Spectrometer (MODIS) instrument. MODIS observations were sampled in this project for information content and should continue to be viewed as a resource for coastal zone monitoring. The project initialized the effort to transfer a suspended sediment concentration (SSC) algorithm to the MODIS platform for case 2 waters. MODIS enables monitoring of turbid coastal zones around the globe. The MODIS SSC algorithm requires refinements in the atmospheric aerosol contribution, sun glint influence, and designation of the sediment inherent optical properties (IOPs); the framework for continued development is in place with a plan to release the algorithm to the MODIS direct broadcast community.

Menzel, W. Paul↗
DOE OSTI2026

Design of a shipping fixture for a compact cryomodule hermetic assembly

In support of the development of a conduction-cooled 915MHz superconducting radio frequency (SRF) cryomodule, this study highlights the design of a shipping fixture for transporting the hermetic assembly 4500 km from Jefferson Lab to General Atomics in San Diego, California. The hermetic assembly consists of a 2-cell 915 MHz SRF cavity, a coaxial fundamental power coupler and warm-to-cold transition beam tubes. The two-part shipping assembly consists of an inner frame, providing direct mounting of the components, and an outer frame mounted to the ground transport vehicle. The inner frame is then connected to the outer frame by way of wire-rope isolators. Accelerometer data from ground transportation of previous projects at Jefferson Lab provides the baseline for the expected frequency and magnitude of vibrational and shock events during transit. Modal analyses were carried out in ANSYS on the inner frame assembly and critical components to identify an appropriate wire-rope isolator configuration such that peak loads are mitigated and the incurred frequencies do not correspond with the fundamental modes of the structures.

Accelerator Physics↗
NASA NTRS1983

Transport and the seasonal variation of ozone

The transport mechanisms responsible for the seasonal behavior of total ozone are deduced from the comparison of model results to stratospheric data. The seasonal transport is dominated by a combination of the diabatic circulation and transient planetary wave activity acting on a diffusively and photochemically determined background state. The seasonal variation is not correctly modeled as a diffusive process. The buildup of total ozone at high latitudes during winter is dependent upon transient planetary wave activity of sufficient strength to cause the breakdown of the polar vortex. While midwinter warmings are responsible for enhanced ozone transport to high latitudes, the final warming marking the transition from zonal mean westerlies to zonal mean easterlies is the most important event leading to the spring maximum. The final warming is not followed by reacceleration of the mean flow; so that the ozone transport associated with this event is more pronounced than that associated with midwinter warmings.

Rood, R. B.↗