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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

2023 roadmap for potassium-ion batteries

Abstract The heavy reliance of lithium-ion batteries (LIBs) has caused rising concerns on the sustainability of lithium and transition metal and the ethic issue around mining practice. Developing alternative energy storage technologies beyond lithium has become a prominent slice of global energy research portfolio. The alternative technologies play a vital role in shaping the future landscape of energy storage, from electrified mobility to the efficient utilization of renewable energies and further to large-scale stationary energy storage. Potassium-ion batteries (PIBs) are a promising alternative given its chemical and economic benefits, making a strong competitor to LIBs and sodium-ion batteries for different applications. However, many are unknown regarding potassium storage processes in materials and how it differs from lithium and sodium and understanding of solid–liquid interfacial chemistry is massively insufficient in PIBs. Therefore, there remain outstanding issues to advance the commercial prospects of the PIB technology. This Roadmap highlights the up-to-date scientific and technological advances and the insights into solving challenging issues to accelerate the development of PIBs. We hope this Roadmap aids the wider PIB research community and provides a cross-referencing to other beyond lithium energy storage technologies in the fast-pacing research landscape.

Xu, Yang (ORCID:0000000301776348)↗
DOE OSTI2024

Measuring stomatal and guard cell metrics for plant physiology and growth using StoManager1

Abstract Automated guard cell detection and measurement are vital for understanding plant physiological performance and ecological functioning in global water and carbon cycles. Most current methods for measuring guard cells and stomata are laborious, time-consuming, prone to bias, and limited in scale. We developed StoManager1, a high-throughput tool utilizing geometrical, mathematical algorithms, and convolutional neural networks to automatically detect, count, and measure over 30 guard cell and stomatal metrics, including guard cell and stomatal area, length, width, stomatal aperture area/guard cell area, orientation, stomatal evenness, divergence, and aggregation index. Combined with leaf functional traits, some of these StoManager1-measured guard cell and stomatal metrics explained 90% and 82% of tree biomass and intrinsic water use efficiency (iWUE) variances in hardwoods, making them substantial factors in leaf physiology and tree growth. StoManager1 demonstrated exceptional precision and recall (mAP@0.5 over 0.96), effectively capturing diverse stomatal properties across over 100 species. StoManager1 facilitates the automation of measuring leaf stomatal and guard cells, enabling broader exploration of stomatal control in plant growth and adaptation to environmental stress and climate change. This has implications for global gross primary productivity (GPP) modeling and estimation, as integrating stomatal metrics can enhance predictions of plant growth and resource usage worldwide. Easily accessible open-source code and standalone Windows executable applications are available on a GitHub repository (https://github.com/JiaxinWang123/StoManager1) and Zenodo (https://doi.org/10.5281/zenodo.7686022).

Wang, Jiaxin (ORCID:0000000348085085)↗
DOE OSTI2021

DSP Implementation of a Novel Recurrent Neural Network Controller into a TI Solar Microinverter

Single-phase grid-tied inverters are widely used to integrate small-scale renewable energy sources and distributed generations to the utility grid. A novel Recurrent Neural Network (RNN) current controller is introduced to solve the resonant problem associated with LCL based inverters. The well-trained RNN controller was validated through a Texas Instruments (TI) LCL filter based solar microinverter kit that contains a C2000 TI microcontroller. The inverter closed current loop test without the grid connection was conducted in a laboratory setup to verify the RNN contoller functionality. The laboratory waveform results verified that the RNN current controller produced the strong tracking of the measured inverter AC current to its reference value even at a low sampling frequency of 5KHz. The proposed RNN current controller also proved to perform better than the built-in three-pole-three-zero (3P3Z) current controller provided by TI and produce lower values of Total Harmonic Distortion (THD).

digital signal processor↗
DOE OSTI2023

Uncertainty Quantification of Metal Additive Manufacturing Processing Conditions Through the use of Exascale Computing

Metal additive manufacturing (AM) is a disruptive manufacturing technology that opens the design space for parts outside those possible from traditional manufacturing methods. In order to accelerate industry and R&D needs to certify AM parts, the Exascale Additive Manufacturing project (ExaAM) has developed a suite of exascale-ready computational tools to model the process-to-structure-to-properties (PSP) relationship for additively manufactured metal components. One such tool is an uncertainty quantification (UQ) pipeline to quantify the effect that uncertainty in processing conditions has on local mechanical responses. We present an overview of this pipeline and its required simulation and workflow codes. Using the Oak Ridge National Laboratory’s (ORNL) exascale computer, Frontier, we utilize this pipeline to cross multiple length and time scales to predict the local mechanical response of a location within a complex AM bridge part, AMB2018-01 produced by the National Institute of Standards and Technology (NIST) as part of their 2018 AM-Bench test series. Our results are then compared to experimental mechanical tests of parts from the NIST build to quantify the error in the ExaAM UQ workflow.

Carson, Robert↗
DOE OSTI2026

HydraGNN v5.0

HydraGNN v5.0 expands the code base into a more portable, scalable, and flexible framework for scientific graph learning, with particular strength in atomistic machine-learning interatomic potentials and large-scale distributed training. The release adds Fully Sharded Data Parallel (FSDP) support alongside existing DDP and DeepSpeed paths, including FSDP-aware checkpointing and optimizer integration, and introduces a configurable multi-precision training workflow supporting FP32, BF16, and FP64 across GPUs and Intel XPUs. For atomistic modeling, HydraGNN v5.0 strengthens its MLIP capabilities through dynamic graph construction at every forward pass, energy-conserving force prediction via automatic differentiation, and per-atom energy loss formulations, while extending EGNN models to properly handle periodic boundary conditions. The release also broadens model expressiveness through graph-level attribute conditioning, adds new multi-task and model-parallel extensions such as MACE support and encoder/decoder branch optimization, and expands application coverage with integrated examples for datasets including OC25, Nabla2-DFT, QCML, Open Polymers 2026, and OPF. In parallel, HydraGNN v5.0 improves production readiness through performance optimizations for large-scale runs, stratified sampling and linear-regression preprocessing utilities, and tested installation scripts for DOE supercomputers including Frontier, Aurora, Perlmutter, and Andes. Overall, the release advances HydraGNN as a robust software platform for scalable graph neural networks across materials science, chemistry, and scientific machine learning workflows

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗
DOE OSTI2021

Tools for Assessing Performance Project: FY2021 Quarter 4 Report

The rotatable building located at Texas Tech’s Reese Technology Center is approximately 14 m wide (width being defined as more normal to the wind than parallel), 9 m long (aligned more with the wind than perpendicular), and 4 m tall. By placing 29 sonic anemometers downwind of the building, see Fig. 1, this facility provided a chance to collect data concerning both the wake velocity deficit distribution in the downstream and crosssteam directions (relative to the mean wind) behind an isolated building. A preliminary comparison between this data and the recently- developed fast-running diffusive wake model, which was developed based on wind tunnel and LES (performed with JOULES) simulations, for the purpose of either validating this model of understanding potential persistent differences between the idealized wind tunnel or LES conditions and those of full-scale real world phenomena. For this preliminary exploration, we utilized the diffusive wake model implemented in the QUIC model.

42 ENGINEERING↗
DOE OSTI2021

Closing the Loop on Automotive Carbon Fiber Prepreg Manufacturing Scrap

The project demonstrated how to “close the loop” on carbon fiber by integrating industrial carbon fiber scrap into new functional components in an automotive lightweighting application. The project serves as a validation of discontinuous recycled carbon fiber in a commercial context, while generating comprehensive material data throughout the production chain. To this end, the project exhibited increasing complexity as material evaluation progressed from benchtop to commercial scale through full-scale part production, with key material properties thoroughly characterized throughout the process. Of particular focus was the form of the fiber that was fed into compounding, as recycled fiber has historically been problematic to feed at commercial-scale. Carbon fiber is energy-intensive to manufacture, so reuse of existing fiber material can reduce costs and increase sustainability. Additionally, by integrating recovered short fiber into a thermoplastic, regrind processes can be used to provide feedstock for later generations of product. While regrind plastics are not “infinitely recyclable”, reusing the manufacturing scrap over several generations of products can greatly increase material sustainability and lower the fractional embodied energy of each successive product. As such, this project supports the IACMI technical goals of (1) 25% lower carbon fiber-reinforced polymer (CFRP) cost, (2) 50% reduction in CFRP embodied energy, and (3) 80% composite recyclability into useful products. The initial stage of the project involved down selecting surface treatment (sizing) chemistries. Sizing evaluations were performed on Vartega’s chemically recycled intermediate modulus fiber along with standard modulus dry scrap which was oversized with sizing provided by Michelman. More dramatic improvements from sizing were found on the standard rather than the intermediate modulus fibers. The strength of the chemically recycled individual fibers were evaluated by Michelman and ORNL through single fiber testing and found to be comparable to similarly evaluated virgin fibers. UDRI’s mechanical testing on injection molded test specimens identified similar mechanical properties and fiber distribution relative to benchmark specimens. Additional surface chemistry tests and visualizations were performed by the Colorado School of Mines to confirm close conformance between the benchmark and recycled-fiber specimens. As the mechanical test results exceeded the 80% threshold established as the go/no-go(GNG), the project scale was increased to use commercial-scale equipment that would both better characterize the manufacturing utility of the target product format and allow qualitative assessment of a complex commercial part. An upscaled compounding evaluation was performed with a 27 mm twin-screw compounding extruding using oversized standard modulus fibers that were formatted to improve bulk solids transfer. The project team anticipated that milestone mechanical benchmarks could be achieved given the favorable performance of the sized standard modulus material identified in the initial micro-compounding trials. While the mechanical performance did meet the milestone target for that phase of the project, mechanical properties for this standard modulus-based compound were still less than those of the Ford specification. To compare the performance, the project team oversized intermediate modulus dry fibers and compounded them with the project resin at BASF using a 40 mm compounder. Test specimen mechanical performance exceeded the targets laid out in both the project milestone and the Ford specification. A series of prototype parts were successfully molded, albeit with instances of short shot components due to the high thermal conductivity of the carbon fiber compared to glass fiber for which the prototype tool was designed for. The project demonstrated that recycled carbon fiber is a viable option in fiber reinforced compound, providing greatly increased strength and modulus for applications that require them. The “agglomerated” format that facilitated effective bulk solids transfer of recovered fiber showed promise for industrial application.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Neutron Tagging From Neutrino Interactions in DUNE-ND 2x2 Prototype

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment that aims to measure whether CP is violated in the leptonic sector (if violated, how much) and unambiguously determine the neutrino mass ordering. DUNE consists of near and far detectors that rely on liquid argon time projection chamber (LArTPC) technology to observe neutrino interactions. The near detector (ND) will be placed in Fermilab, near the neutrino source, while the far detector (FD) will be deployed in Sanford Lab, 1.5 km deep underground, which is 1300 km away from the source. LArTPCs provide excellent particle identification and calorimetry; however, detecting neutrons is challenging, as they do not leave direct ionization signals in LArTPCs. Neutrons can carry away up to 25% of the neutrino energy, introducing a significant uncertainty in DUNE measurements. The DUNE near detector (ND) features a novel modular LArTPC with pixelated charge readout, which enhances event recons truction. The modular design enables precise correlation between ionization signals and light signals in a high-rate environment, improving the identification of delayed energy depositions from neutrons in neutrino interactions. We introduce a neutron tagging technique using the 2x2 Demonstrator, a small-scale prototype of the DUNE ND LArTPC. The analysis utilizes Monte Carlo simulations and deep-learning techniques to identify neutron-induced energy depositions and reconstruct low-energy activity.

Kufatty, Georgette [Florida State U.]↗
DOE OSTI2025

The Measurement of Grain Size by Electron Beam Backscattered Diffraction

The method of electron back-scatter diffraction provides an analytic means to identify crystalline phase and the grain size of structural materials. The need to utilize imaging parameters consistent with revealing the contributing microstructural scale is often overlooked through packaged imaging scripts. It is shown that imaging parameters consistent with a post processing assessment of low misorientation angles between boundaries are achievable as using pixel sizes on the order of 10 1 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Analysis of Bis(trifluoromethylsulfonyl)imide Interactions with Metal Cations Through a Chemical Informatics Approach

Nominally weakly coordinating anions are useful for modulating the solubility and chemical properties of metal complexes, but identification and analysis of the systematics of the interactions of anions with cationic metal complexes has not received the attention it deserves. Here, a chemical informatics approach is demonstrated for identifying and quantitatively analyzing the ways that the bis(trifluoromethylsulfonyl)imide anion (TFSI) can interact with metal-containing species. An open access computer program (PyCIFTer) was developed to facilitate large-scale structural analysis of TFSI-containing species by utilization of experimental atomic coordinate data from single-crystal X-ray diffraction (XRD) studies obtained from the Cambridge Structural Database (CSD). PyCIFTer establishes a three-dimensional vector space from the raw atomic coordinates, generating acyclic, undirected graphs that are used to rapidly analyze the structural properties (bond lengths and angles) of TFSI in individual structures in sequential/batch fashion. The structures are sorted by PyCIFTer into groups based on pre-set and chemically sensible criteria, affording a comprehensive and systematic view of TFSI structural chemistry. This approach avoids tedious one-at-a-time interrogation of structures, a prospect unreasonable in this case, and many others of contemporary chemical relevance; there were over 1500 structures in the CSD containing TFSI as of November 2024. The results demonstrate that TFSI only rarely binds to cations in the solid state, favoring the formation of species in which TFSI is found in cations’ outer coordination spheres. The prospect of applying PyCIFTer to other moieties is also discussed. PyCIFTer is also schematically compared to the commercial CSD Python application programming interface (API). Taken together, this work demonstrates the usefulness of modular workflows for sequential/batch analysis of structural data from XRD, an approach that appears poised to accelerate the translation of legacy structural results into new chemical insights and hypotheses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Mechanisms of oxidation in the Co-Cr system.

Oxidation has been studied both as a function of temperature in the range from 900 to 1300 C and of the partial pressure of oxygen in the range from 0.05 to 760 torr. In addition, microstructures of oxide scales have been studied and characterized in more detail utilizing metallographic and X-ray techniques combined with electron microprobe analysis. The parabolic rate constants in 1100 C and at 100 and 10 torr oxygen are presented in a graph as a function of chromium content. Three main different mechanisms of oxidation in the Co-Cr system have been identified. In two of these, the rate determining process controlling the oxidation is the solid state diffusion of cobalt through the oxide CoO. The rate controlling process governing the oxidation for the third mechanism is chromium diffusion in dichromium trioxide.

Kofstad, P. K.↗
NASA NTRS1978

Synoptic analyses, 5-, 2-, and 0.4-millibar surfaces for July 1974 through June 1976

Meteorological rocketsonde and satellite radiance data were employed for analyses of a continuing series of high altitude constant pressure charts. The methods of processing, the various types of data utilized and the analysis procedure are described. Broad-scale analyses of temperature and geopotential height for the Northern Hemisphere 5, 2, and 0.4 mb surfaces are presented for each week of the period July 1974 through June 1976. Brief discussions of the variations of the temperature and height fields throughout the two year period are also given.

Source record↗
NASA NTRS1978

Scaling relationships for mercury and gaseous propellant ion thrusters

A model describing the doubly charged ion densities in argon and xenon ion thrusters is presented. Doubly charged ions are shown to be produced in significant numbers from both the neutral and singly ionized states. Doubly-to-singly charged ion density ratios calculated using this model are compared to experimental values of this ratio measured in the 15 cm multipole thruster using both propellants. Agreement between theory and experiment is shown to be good. Using this doubly charged ion model, and a similar one obtained previously for mercury, together with the constant neutral loss rate theory, Child's current density law and accelerator grid fabrication limitations, a set of scaling relationships are developed. These relationships show the propellant utilizations, thrust densities and discharge power levels that can be expected as thruster diameter and/or specific impulse are increased and doubly charged ion densities are held at acceptably low values.

Wilbur, P. J.↗
NASA NTRS1980

Investigation of the effects of external current systems on the MAGSAT data utilizing grid cell modeling techniques

The feasibility of modeling magnetic fields due to certain electrical currents flowing in the Earth's ionosphere and magnetosphere was studied. Initial efforts were devoted to reading MAGSAT data tapes in preparation for further analysis of the MAGSAT data. Further efforts concern a modeling procedure developed to compute the magnetic field at satellite orbit due to hypothesized current distributions in the ionosphere and magnetosphere. This technique utilizes a linear current element representation of the large scale space current system.

Klumpar, D. M.↗
NASA NTRS1981

Evaluation of a wind turbine electric power generator

A technical assessment of the aerodynamic performance of the wind wheel turbine (WWT) is reported. The potential of the WWT in utilizing wind as an alternate power source was evaluated. Scaling parameters were developed to predict the aerodynamic performance of WWT prototype sized to produce 3, 9, 30, and 100 kw outputs in a 6.7 m/sec wind.

Swim, W. B.↗
NASA NTRS1981

Investigation of the effects of external current systems on the MAGSAT data utilizing grid cell modeling techniques

Refinements to the modeling procedure developed to compute the magnetic fields at satellite orbit due to current distributions in the ionosphere and magnetosphere are described. The modeling technique utilizes a linear current element representation of the large scale space current system. A model polar current system is presented and magnetic field perturbations resulting from this system are computed along two hypothetical satellite orbits.

Klumpar, D. M.↗
NASA NTRS1982

Investigation of the effects of external current systems on the MAGSAT data utilizing grid cell modeling techniques

Efforts in support of the development of a model of the magnetic fields due to ionospheric and magnetospheric electrical currents are discussed. Specifically, progress made in reading MAGSAT tapes and plotting the deviation of the measured magnetic field components with respect to a spherical harmonic model of the main geomagnetic field is reported. Initial tests of the modeling procedure developed to compute the ionosphere/magnetosphere-induced fields at satellite orbit are also described. The modeling technique utilizes a liner current element representation of the large scale current system.

Klumpar, D. M.↗