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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Mesoporous EU-1 zeolite with enhanced accessibility and diffusion for bulky molecular reaction

Highlights: • Mesoporous EU-1 zeolites with adjustable mesoporosity have been first prepared. • One-dimensional in microporous to three-dimensional diffusion in mesoporous EU-1. • Obviously increment of available acid sites for bulky molecules in the zeolite. • Sufficiently reaction space for isomerization and disproportionation of cumene. - Abstract: Mesoporous EU-1 zeolites with adjustable mesoporosity have been prepared by employing silanized silica into the starting synthesis gel, based on the hinder effect of organic moiety to crystal growth. The synthesized mesoporous EU-1 zeolites were characterized by XRD, NMR, SEM/TEM and N{sub 2} adsorption/desorption at 77 K, showing the persistence of inherent microporous framework structure of EU-1 zeolite and the existence of additional mesopores within the range of 3–10 nm. The generation of mesoporosities is from the intercrystalline voids of nanocrystal aggregates. The introduction of mesopores in EU-1 zeolite increased the adsorption of mesitylene with the kinetics diameter larger than the micropore size, and made it possible for the diffusion pattern of n-heptane from one-dimensional in microporous EU-1 to three-dimensional in mesoporous EU-1. This result together with the enhanced accessibility of acidic sites of mesoporous EU-1 improved greatly the catalytic activity and product yields of cumene cracking reaction involving bulky molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2022

FAIRification, Quality Assessment, and Missingness Pattern Discovery for Spatiotemporal Photovoltaic Data

The ongoing growth of the photovoltaic market has pushed the demand for power forecasting and performance evaluation for a huge population of PV power plants. Through access to a large number of time series data sets from different power plants, we have found common issues that impede the modeling process. Namely, the time series data are hard to transfer between groups due to differences in variable nomenclature, and the quality of the data sets can vary. We address the issue of variable nomenclature by FAIRifying spatiotemporal PV time series data. Through the creation of a solar power plant ontology, we propose standards for the naming and structure of metadata used to describe the data from these power plants. Using the structure from this ontology, we have developed both R and Python packages for the automation of the FAIRification process. We have also developed an R package that automates the analysis of the quality of a data set through the designation of letter grades. With access to large time series data sets across many power plants, we can utilize spatiotemporal coherence between the sites in order to improve the quality of our data. To solve the issue of data missingness, we propose the use of Spatiotemporal-GNN autoencoders to detect and impute missing values from a data set by utilizing data from power plants nearby.

14 SOLAR ENERGY↗
DOE OSTI2024

Increasing Electric Vehicle Adoption Among Disadvantaged Populations: A Case Study in LA

In the shift towards 100% carbon-free energy, ensuring equitable access to clean energy benefits is crucial. The adoption of electric vehicles (EVs), particularly in the personal light-duty vehicle segment, has gained traction, driven by various incentives at the federal, state, and local levels. However, disadvantaged populations face unique challenges in embracing EVs. This paper, using Los Angeles as a case study, explores EV adoption patterns among disadvantaged population groups in both a business-as-usual scenario and an equity scenario. Modeling reveals that by 2035, over half of EV owners will be from low- to middle income backgrounds with limited access to home charging. Strategies such as increasing incentives for used EV purchase from $2500 to $4000, targeted for disadvantaged communities, can boost EV adoption among low-middle income groups by 2%, while providing a $300 annual voucher to households using public charging can further facilitate equitable EV adoption.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2018

Mesoscopic Elastic Distortions in GaAs Quantum Dot Heterostructures

Quantum devices formed in high-electron-mobility semiconductor heterostructures provide a route through which quantum mechanical effects can be exploited on length scales accessible to lithography and integrated electronics. The electrostatic definition of quantum dots in semiconductor heterostructure devices intrinsically involves the lithographic fabrication of intricate patterns of metallic electrodes. The formation of metal/semiconductor interfaces, growth processes associated with polycrystalline metallic layers, and differential thermal expansion produce elastic distortion in the active areas of quantum devices. Understanding and controlling these distortions present a significant challenge in quantum device development. In this paper, we report synchrotron X-ray nanodiffraction measurements combined with dynamical X-ray diffraction modeling that reveal lattice tilts with a depth-averaged value up to 0.04° and strain on the order of 10 –4 in the two-dimensional electron gas (2DEG) in a GaAs/AlGaAs heterostructure. Elastic distortions in GaAs/AlGaAs heterostructures modify the potential energy landscape in the 2DEG due to the generation of a deformation potential and an electric field through the piezoelectric effect. Finally, the stress induced by metal electrodes directly impacts the ability to control the positions of the potential minima where quantum dots form and the coupling between neighboring quantum dots.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ice rule fragility via topological charge transfer in artificial colloidal ice

Artificial particle ices are model systems of constrained, interacting particles. They have been introduced theoretically to study ice-manifolds emergent from frustration, along with domain wall and grain boundary dynamics, doping, pinning-depinning, controlled transport of topological defects, avalanches, and memory effects. Recently such particle-based ices have been experimentally realized with vortices in nano-patterned superconductors or gravitationally trapped colloids. Here we demonstrate that, although these ices are generally considered equivalent to magnetic spin ices, they can access a novel spectrum of phenomenologies that are inaccessible to the latter. With experiments, theory and simulations we demonstrate that in mixed coordination geometries, entropy-driven negative monopoles spontaneously appear at a density determined by the vertex-mixture ratio. Unlike its spin-based analogue, the colloidal system displays a “fragile ice” manifold, where local energetics oppose the ice rule, which is instead enforced through conservation of the global topological charge. The fragile colloidal ice, stabilized by topology, can be spontaneously broken by topological charge transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Method for conducting in situ high-temperature digital image correlation with simultaneous synchrotron measurements under thermomechanical conditions

This work presents a novel method of obtaining in situ strain measurements at high temperature by simultaneous digital image correlation (DIC), which provides the total strain on the specimen surface, and synchrotron x-ray diffraction (XRD), which provides lattice strains of crystalline materials. DIC at high temperature requires specialized techniques to overcome the effects of increased blackbody radiation that would otherwise overexpose the images. The technique presented herein is unique in that it can be used with a sample enclosed in an infrared heater, remotely and simultaneously with synchrotron XRD measurements. The heater included a window for camera access, and the light of the heater lamps is used as illumination. High-temperature paint is used to apply a random speckle pattern to the sample to allow the tracking of displacements and the calculation of the DIC strains. An inexpensive blue theatrical gel filter is used to block interfering visible and infrared light at high temperatures. This technique successfully produces properly exposed images at 870 °C and is expected to perform similarly at higher temperatures. The average strains measured by DIC were validated by an analytical calculation of the theoretical strain. Simultaneous DIC and XRD strain measurements of Inconel 718 (IN718) tensile test specimens were performed under thermal and mechanical loads and evaluated. Finally, this approach uses the fact that with DIC, the total strain is measured, including plastic strain, while with XRD, only elastic strain is captured. The observed differences were discussed with respect to the effective deformation mechanisms.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Modeling Electrodeposition in 3D Porous Architectures for Solid-State Li-Metal Batteries

Li-metal storage in three-dimensional (3D) electrodes is considered a potential dendrite-mitigation strategy. The large surface area and high porosity of these electrodes result in reduced local Li-plating current densities. The porous topology provides a scaffold for Li-deposition and stripping, maintaining both mechanical integrity and Li accessibility. The goal of this study is to understand how characteristics, such as geometry and material properties, affect the current distribution and deposition pattern. To this end, we developed a computational method to track material growth driven by electrodeposition within a complex geometry. This method ensures that the finite-element discretization remains conforming to the moving boundary while preserving an adequate mesh quality, and thus maintains solution accuracy. Using this new computational tool, we analyze the conditions under which porous anode architectures effectively expand the surface area of the charge-transfer interface, and self-regulate current density and dendrite growth.

3D electrode architectures↗
DOE OSTI2020

Nanostructural Analysis of Enzymatic and Non-enzymatic Brown Rot Fungal Deconstruction of the Lignocellulose Cell Wall†

Brown rot (BR) decay mechanisms employ carbohydrate-active enzymes (CAZymes) as well as a unique non-enzymatic chelator-mediated Fenton (CMF) chemistry to deconstruct lignocellulosic materials. Unlike white rot fungi, BR fungi lack peroxidases for lignin deconstruction, and also lack some endoglucanase/cellobiohydrolase activities. The role that the CMF mechanism plays in “opening up” the wood cell wall structure in advance of enzymatic action, and any interaction between CMF constituents and the selective CAZyme suite that BRs possess, is still unclear. Expression patterns for CMF redox metabolites and lytic polysaccharide monooxygenase (LPMO–AA9 family) genes showed that some LPMO isozymes were upregulated with genes associated with CMF at early stages of brown rot by Gloeophyllum trabeum. In the structural studies, wood decayed by the G. trabeum was compared to CMF-treated wood, or CMF-treated wood followed by treatment with either the early-upregulated LPMO or a commercial CAZyme cocktail. Structural modification of decayed/treated wood was characterized using small angle neutron scattering. CMF treatment produced neutron scattering patterns similar to that of the BR decay indicating that both systems enlarged the nanopore structure of wood cell walls to permit enzyme access. Enzymatic deconstruction of cellulose or lignin in raw wood samples was not achieved via CAZyme cocktail or LPMO enzyme action alone. CMF treatment resulted in depolymerization of crystalline cellulose as attack progressed from the outer regions of individual crystallites. Multiple pulses of CMF treatment on raw wood showed a progressive increase in the spacing between the cellulose elementary fibrils (EFs), indicating the CMF eroded the matrix outside the EF bundles, leading to less tightly packed EFs. Peracetic acid delignification treatment enhanced subsequent CMF treatment effects, and allowed both enzyme systems to further increase spacing of the EFs. Moreover, even after a single pulse of CMF treatment, both enzymes were apparently able to penetrate the cell wall to further increase EF spacing. The data suggest the potential for the early-upregulated LPMO enzyme to work in association with CMF chemistry, suggesting that G. trabeum may have adopted mechanisms to integrate non-enzymatic and enzymatic chemistries together during early stages of brown rot decay.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

An evolving Coupled Model Intercomparison Project phase 7 (CMIP7) and Fast Track in support of future climate assessment

The Coupled Model Intercomparison Project (CMIP) coordinates community-based efforts to answer key and timely climate science questions, facilitate delivery of relevant multi-model simulations through shared infrastructure, and support national and international climate assessments. Generations of CMIP have evolved through extensive community engagement from punctuated phasing into more continuous support for the design of experimental protocols, infrastructure for data publication and access, and public delivery of climate information. We identify four fundamental research questions motivating a seventh phase of coupled model intercomparison relating to patterns of sea surface temperature change, changing weather, the water–carbon–climate nexus, and tipping points. Key CMIP7 advances include an expansion of baseline experiments, a focus on CO 2 -emissions-driven experiments, sustained support for community MIPs, periodic updating of historical forcings and diagnostics requests, and a collection of prioritized experiments, or the “Assessment Fast Track”, drawn from community MIPs to support climate research, assessment, and service goals across prediction and projection, characterization, attribution, and process understanding.

Environmental sciences↗
NASA NTRS1992

Advanced Solid Rocket Motor (ASRM) communications network analysis

This paper describes the simulation of a proposed campus-wide network for a new manufacturing facility. The proposed network consists of five carrier sense multiple access with collision detection (CSMA/CD) networks connected to five ports of a VAX cluster. In Section 1 the system configuration, the projected traffic pattern, and the proposed protocols are presented. Section 2 describes the models used in constructing the network simulation, while Section 3 contains the results and an analysis of the simulations. The simulations are compared to a mathematical model in Section 4. Some conclusions are drawn in Section 5.

Thompson, Dale R.↗
NASA NTRS1992

Detection of x ray sources in PROS

The problem of detecting discrete sources in x-ray images has much in common with the problem of automatic source detection at other wavelengths. In all cases, one searches for positive brightness enhancements exceeding a certain threshold, which appear consistent with what one expects for a point source, in the presence of a (possibly) spatially variable background. Multidimensional point spread functions (e.g., dependent on detector position and photon energy) are also common. At the same time, the problem in x-ray astronomy has some unique aspects. For example, for typical x-ray exposures in current or recent observatories, the number of available pixels far exceeds the number of actual x-ray events, so Poisson, rather than Gaussian statistics apply. Further, extended cosmic x-ray sources are common, and one often desires to detect point sources in the vicinity or even within bright, diffuse x-ray emission. Finally, support structures in x-ray detectors often cast sharp shadows in x-ray images making it necessary to detect sources in a region of rapidly varying exposure. We have developed a source detection package within the IRAF/PROS environment which attempts to deal with some of the problems of x-ray source detection. We have patterned our package after the successful Einstein Observatory x-ray source detection programs. However, we have attempted to improve the flexibility and accessibility of the functions and to provide a graphical front-end for the user. Our philosophy has been to use standard IRAF tasks whenever possible for image manipulation and to separate general functions from mission-specific ones. We will report on the current status of the package and discuss future developments, including simulation tasks, to allow the user to assess detection efficiency and source significance, tasks to determine source intensity, and alternative detection algorithms.

Deponte, J.↗
DOE OSTI2022

Persistent memory as an effective alternative to random access memory in metagenome assembly

Abstract Background The assembly of metagenomes decomposes members of complex microbe communities and allows the characterization of these genomes without laborious cultivation or single-cell metagenomics. Metagenome assembly is a process that is memory intensive and time consuming. Multi-terabyte sequences can become too large to be assembled on a single computer node, and there is no reliable method to predict the memory requirement due to data-specific memory consumption pattern. Currently, out-of-memory (OOM) is one of the most prevalent factors that causes metagenome assembly failures. Results In this study, we explored the possibility of using Persistent Memory (PMem) as a less expensive substitute for dynamic random access memory (DRAM) to reduce OOM and increase the scalability of metagenome assemblers. We evaluated the execution time and memory usage of three popular metagenome assemblers (MetaSPAdes, MEGAHIT, and MetaHipMer2) in datasets up to one terabase. We found that PMem can enable metagenome assemblers on terabyte-sized datasets by partially or fully substituting DRAM. Depending on the configured DRAM/PMEM ratio, running metagenome assemblies with PMem can achieve a similar speed as DRAM, while in the worst case it showed a roughly two-fold slowdown. In addition, different assemblers displayed distinct memory/speed trade-offs in the same hardware/software environment. Conclusions We demonstrated that PMem is capable of expanding the capacity of DRAM to allow larger metagenome assembly with a potential tradeoff in speed. Because PMem can be used directly without any application-specific code modification, these findings are likely to be generalized to other memory-intensive bioinformatics applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Analysis of WRF extreme daily precipitation over Alaska using self‐organizing maps

Abstract We analyze daily precipitation extremes from simulations of a polar‐optimized version of the Weather Research and Forecasting (WRF) model. Simulations cover 19 years and use the Regional Arctic System Model (RASM) domain. We focus on Alaska because of its proximity to the Pacific and Arctic oceans; both provide large moisture fetch inland. Alaska's topography also has important impacts on orographically forced precipitation. We use self‐organizing maps (SOMs) to understand circulation characteristics conducive for extreme precipitation events. The SOM algorithm employs an artificial neural network that uses an unsupervised training process, which results in finding general patterns of circulation behavior. The SOM is trained with mean sea level pressure (MSLP) anomalies. Widespread extreme events, defined as at least 25 grid points experiencing 99th percentile precipitation, are examined using SOMs. Widespread extreme days are mapped onto the SOM of MSLP anomalies, indicating circulation patterns. SOMs aid in determining high‐frequency nodes, and hence, circulations are conducive to extremes. Multiple circulation patterns are responsible for extreme days, which are differentiated by where extreme events occur in Alaska. Additionally, several meteorological fields are composited for nodes accessed by extreme and nonextreme events to determine specific conditions necessary for a widespread extreme event. Individual and adjacent node composites produce more physically reasonable circulations as opposed to composites of all extremes, which include multiple synoptic regimes. Temporal evolution of extreme events is also traced through SOM space. Thus, this analysis lays the groundwork for diagnosing differences in atmospheric circulations and their associated widespread, extreme precipitation events.

Glisan, Justin M.↗
DOE OSTI2018

Comparison of Peptide Ion Conformers Arising from Non-Helical and Helical Peptides Using Ion Mobility Spectrometry and Gas-Phase Hydrogen/Deuterium Exchange

The dominant gas-phase conformer of [M+3H]{sup 3+} ions of the model peptide acetyl-PSSSSKSSSSKSSSSKSSSSK has been examined with ion mobility spectrometry (IMS), gas-phase hydrogen deuterium exchange (HDX), and mass spectrometry (MS) techniques. The [M+3H]{sup 3+} peptide ions are observed predominantly as a relatively compact conformer type. Upon subjecting these ions to electron transfer dissociation (ETD), the level of protection for each amino acid residue in the peptide sequence is assessed. The overall per-residue deuterium uptake is observed to be relatively more efficient for the neutral residues than for the model peptide acetyl-PAAAAKAAAAKAAAAKAAAAK. In comparison, the N-terminal and C-terminal regions of the serine peptide show greater relative protection compared with interior residues. Molecular dynamics (MD) simulations have been used to generate candidate structures for collision cross section and HDX reactivity matching. Hydrogen accessibility scoring (HAS) for select structural candidates from MD simulations has been used to suggest conformer types that could contribute to the observed HDX patterns. The results are discussed with respect to recent studies employing extensive MD simulations of gas-phase structure establishment of a peptide system. .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

Here in this paper, we describe the Materials Application Programming Interface (API), a simple, flexible and efficient interface to programmatically query and interact with the Materials Project database based on the REpresentational State Transfer (REST) pattern for the web. Since its creation in Aug 2012, the Materials API has been the Materials Project's de facto platform for data access, supporting not only the Materials Project's many collaborative efforts but also enabling new applications and analyses. We will highlight some of these analyses enabled by the Materials API, particularly those requiring consolidation of data on a large number of materials, such as data mining of structural and property trends, and generation of phase diagrams. We will conclude with a discussion of the role of the API in building a community that is developing novel applications and analyses based on Materials Project data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Novel light field imaging device with enhanced light collection for cold atom clouds

We present a light field imaging system that captures multiple views of an object with a single shot. The system is designed to maximize the total light collection by accepting a larger solid angle of light than a conventional lens with equivalent depth of field. This is achieved by populating a plane of virtual objects using mirrors and fully utilizing the available field of view and depth of field. Simulation results demonstrate that this design is capable of single-shot tomography of objects of size $\mathcal{O}$(1 mm 3 ), reconstructing the 3-dimensional (3D) distribution and features not accessible from any single view angle in isolation. In particular, for atom clouds used in atom interferometry experiments, the system can reconstruct 3D fringe patterns with size $\mathcal{O}$(100 μm). We also demonstrate this system with a 3D-printed prototype. The prototype is used to take images of $\mathcal{O}$(1 mm 3 ) sized objects, and 3D reconstruction algorithms running on a single-shot image successfully reconstruct $\mathcal{O}$(100 μm) internal features. The prototype also shows that the system can be built with 3D printing technology and hence can be deployed quickly and cost-effectively in experiments with needs for enhanced light collection or 3D reconstruction. Imaging of cold atom clouds in atom interferometry is a key application of this new type of imaging device where enhanced light collection, high depth of field, and 3D tomographic reconstruction can provide new handles to characterize the atom clouds.

47 OTHER INSTRUMENTATION↗
NASA NTRS1996

Analysis of EUVE Experiment Results

A series of tests to validate an antenna pointing concept for spin-stabilized satellites using a data relay satellite are described. These tests show that proper antenna pointing on an inertially-stabilized spacecraft can lead to significant access time through the relay satellite even without active antenna pointing. We summarize the test results, the simulations to model the effects of antenna pattern and space loss, and the expected contact times. We also show how antenna beam width affects the results.

Horan, Stephen↗