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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Revisiting the initial irreversible capacity loss of LiNi 0.6 Co 0.2 Mn 0.2 O 2 cathode material batteries

Layered LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) attracts widespread attention primarily due to its potential for high energy density and moderate thermal stability. However, the low initial coulombic efficiency (ICE) of the material limits the maximum utilization of their capacity. The capacity loss in the first cycle occurs under 4.0V and keep almost constant are considered as common characteristics for NCM-based materials. A clear cognition on the initial capacity loss may light the way to improve the practical reversible capacity of NCM622 at 4.0V. Conducting operando X-ray diffraction during galvanostatic charge/discharge cycling at different temperature (25 degrees C, 45 degrees C and 60 degrees C) and different current (0.1C, 0.01C, 1C=120 mA g -1 ) in the voltage range of 2.7-4.0V, we find that only 8% of the measured initial irreversible capacity loss is associated with parasitic reactions that form cathode/electrolyte interface, and that the dominant contributors include the slow Li + diffusion kinetics (similar to 46% contribution) and irreversible O3/H1-3 phase transition (similar to 46% contribution). Finally, this semi-quantitative study provides new insight on initial capacity loss, guiding further targeted modification and fully utilization of NCM622.

25 ENERGY STORAGE↗
NASA NTRS2019

Materials and Processes for New Propulsion Systems with Reduced Environmental Impact

Aeronautics research at NASA Glenn Research Center includes development, characterization and modeling of high temperature, lightweight materials and fabrication processes for aircraft propulsion systems with increased efficiency and reduced emissions, fuel burn and noise. Current propulsion materials research includes Ceramic Matrix Composites and Environmental Barrier Coatings, Polymer Matrix Composites and Additive Manufacturing processes. This presentation will summarize recent progress and plans in these areas. Ceramic Matrix Composites for Turbine Components: As part of NASA's Aeronautics research, Glenn Research Center has developed Ceramic Matrix Composites for 2700 degrees Fahrenheit turbine engine applications in the next generation of ultra-efficient aircraft. In this presentation, the development of advanced fiber and matrix constituents that enabled this advancement will be reviewed, and characterization of the resulting improvements in mechanical properties and durability will be summarized. Progress toward the development and validation of models predicting the effects of the engine environment on durability of Ceramic Matrix Composites and Environmental Barrier Coatings will be summarized. Progress and plans for collaborative research with industry and other government agencies will be reviewed. Polymer Matrix Composites for Powertrain and Impact Protection: A lightweight, hybrid polymer matrix composite/steel gear concept for rotorcraft power transmission applications was evaluated at realistic speed, torque, and power conditions. Dynamic testing was performed at 5000 horsepower and 5400 revolutions per minute with no performance degradation. Test results demonstrated the potential of hybrid composite / metal gears to reduce gear weight by approximately 15 percent, enabling the implementation of multi-speed drive systems, which would otherwise have a weight penalty, for increased speed and efficiency. Results of post-test inspection and endurance tests will be presented. Separately, ballistic impact tests demonstrated improved damage tolerance in polymer matrix composites by incorporating lightweight, thermoplastic veil materials between selected composite plies during the composite fabrication process. Results of impact tests and post-test inspection will be presented. Additive Manufacturing for Electric Propulsion: Additive Manufacturing processes offer the potential to fabricate new, high power density electric motor designs with complex geometries, multi-material components and optimally designed components that would not be feasible with traditional manufacturing processes. High performance stator components using advanced 3-phase conductive coils were fabricated using direct printing with optimized silver pastes. Additional additive manufacturing methods are being used to fabricate rotors and motor housing components. Systems studies show that the higher performance and lower weight motors offer improved energy efficiency and reduced emissions. Improvements to motor performance resulting from optimized materials and component designs will be presented.

Additive Manufacturing↗
DOE OSTI2025

A Novel Approach for Microencapsulating Salt Hydrate-Based Phase Change Materials

Energy storage technologies, particularly those utilizing phase change materials (PCMs), have gained attention for their high energy density and efficient thermal management. PCMs, which store energy through solid-liquid phase transitions, can efficiently capture and release thermal energy, but face the challenge of leakage during the phase change process. Inorganic PCMs, such as salt hydrates, offer high energy storage capacity, but are difficult to encapsulate due to their corrosive nature. Conventional encapsulation techniques for inorganic PCMs are limited, particularly for scalable applications. In this work, we present an innovative method for the encapsulation of salt hydrate-based inorganic PCMs (CaCl 2 ·6H 2 O) using co-axial electrospinning. The process involves the creation of co-axial fibers, with salt hydrate as the core and polymer (e.g., PVP) as the outer shell, effectively preventing leakage and improving the stability of the PCM. This approach demonstrates the potential for scalable microencapsulation of inorganic PCMs, marking the first report of using co-axial electrospinning for this purpose. This novel technique could contribute to enhancing the performance and applicability of PCMs in thermal energy storage systems and other energy efficiency applications.

36 MATERIALS SCIENCE↗
NASA NTRS1993

New room temperature high resolution solid-state detector (CdZnTe) for hard x rays and gamma rays

The new CdZnTe high 'Z' material represents a significant improvement in detectors for high energy photons. With the thicknesses available, photons up to 100 keV can be efficiently detected. This material has a wide band gap of 1.5 - 2.2 eV which allows it to operate at room temperature while providing high spectral resolution. Results of resolution evaluations are presented. This detector can be used for high resolution spectral measurements of photons in x-ray and gamma-ray astronomy, offering a significant reduction in the weight, power, and volume of the detector system compared to more conventional detector types such as scintillation counters. In addition, the detector will have the simplicity and reliability of solid-state construction. The CdZnTe detector, as a new development, has not yet been evaluated in space. The Get Away Special program can provide this opportunity.

Stewart, Amyelizabeth C.↗
DOE OSTI2022

Predictive coarse-grained (CG) modeling of morphologies in polymer nanocomposites with specific and directional intermolecular interactions (Final Report)

The overarching goal of the proposed work was to develop predictive models for investigating structure and dynamics in soft materials with chemistries that have specific and directional molecular interactions. The motivation behind studying materials with specific and directional interactions lies in the many desirable features these interactions provide when designing novel soft materials. Soft materials with specific and direction interactions (such as hydrogen bonds or H-bonds) can have a) thermally reversible phase behavior with different functions with varying temperature, b) precisely tuned nanostructure with desirable geometries that afford unique physical properties (e.g., color response, mechanical properties) and c) well-mixed/blended morphologies that are useful for variety of applications in energy field (e.g., materials for batteries require use of blended polymers where one domain gives superior mechanical properties and one domain promotes electrical conduction). Notably, biology makes extensive use of specific and directional interactions, in many cases based on H-bonds, to construct materials with precisely defined architectures and properties. Engineered soft materials with precisely tuned nanostructures and improved processiblity through thermoresponsive phase behavior are useful in numerous applications that are relevant to the Department of Energy (DOE) including high efficiency electronic devices, light-weight high-strength composite materials for batteries and fuel cells, and polymer membranes for separations, etc. While past computational studies have been tremendously useful in understanding molecular phenomena and guiding synthesis of new macromolecular soft materials for a wide variety of applications, the inability to capture small scale specific and directional interactions alongside macromolecular length and time scales represented a key limitation of most studies to date. Our work in this project addressed this grand challenge in computational materials chemistry, i.e., ability to model the anisotropic, directional, and specific interactions that govern the behavior of many macromolecular soft matter systems of interest, thus, has greatly expanded the predictive potential of simulations. Specifically the key outcomes were: successful development of new coarse-grained (CG) polymer models to study generic and specific polymer chemistries in which hydrogen-bonding interactions are dominant. These CG models were then used in molecular simulations to study structure and thermodynamics in polymer nanocomposites and blends; some studies were conducted in collaboration with experimentalists. We also published a perspective and a viewpoint which included some of the work we completed in this DOE project; we believe these perspective and viewpoint articles guide other researchers in the soft materials community on how to extend the computational approaches and models we have developed for the purposes of their studies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Basic Energy Sciences Roundtable: Foundational Science for Carbon-Neutral Hydrogen Technologies

Basic research to identify and understand the fundamental principles governing hydrogen processes is essential for achieving a carbon-neutral, hydrogen-based energy and chemical infrastructure. In August 2021, the Office of Basic Energy Sciences (BES)—in coordination with the US Department of Energy (DOE) technology Offices of Energy Efficiency and Renewable Energy, Fossil Energy and Carbon Management, and Nuclear Energy—held a roundtable titled, “Foundational Science for Carbon-Neutral Hydrogen Technologies,” to discuss the scientific and technical barriers for carbon-neutral hydrogen production, storage, and utilization. Four priority research opportunities (PROs) were identified to address these scientific and technical challenges and accelerate progress toward the realization of energy-efficient, carbon-neutral cycles for hydrogen processes. The PROs are as follows: Discover and Control Materials and Chemical Processes to Revolutionize Electrolysis Systems; Manipulate Hydrogen Interactions to Harness the Full Potential of Hydrogen as a Fuel; Elucidate the Structure, Evolution, and Chemistry of Complex Interfaces for Energy- and Atom-Efficiency; and Understand and Limit Degradation Processes to Enhance the Durability of Hydrogen Systems.

08 HYDROGEN↗
DOE OSTI2020

Compact and efficient elastocaloric heat pumps—Is there a path forward?

Elastocaloric cooling holds promise for energy-efficient heat pumping near room temperature with low environmental impact. Its adoption is, however, impeded by disproportionally large sizes of actuators compared with the active material volume. Taking magnetocaloric cooling as the baseline, the value of no more than 10:1 actuator volume to active material volume should lead to both size- and cost-effective solutions that may potentially be competitive with vapor-compression devices. With the goal to establish performance metrics that can lead to informed actuator selection for specific regenerator requirements, we analyze a wide range of elastocaloric materials and actuator technologies to find the best matches. We find that actuation with magnetic shape memory alloys meets all requirements; however, this technology is currently in early developmental stages and such actuators are not widely commercially available. Another promising and easily accessible option is standard rotary electric motors in combination with rotary-to-linear transduction mechanisms. A theoretical analysis of two case studies of elastocaloric systems using rotary electric motors with a Scotch yoke mechanism demonstrates the usefulness of our approach. Actuator requirements are based on two different regenerator configurations: one starting from zero strain without any mechanical energy recovery and another with 2% pre-strain and mechanical energy recovery to reduce the power and torque required from the motor. Our results indicate that the 10:1 target actuator to active material volume ratio can be met and feasibly lowered further, demonstrating that the proposed method for selecting actuators makes compact and efficient elastocaloric systems possible.

42 ENGINEERING↗
NASA NTRS1999

Optical Analysis of Transparent Polymeric Material Exposed to Simulated Space Environment

Transparent polymeric materials are being designed and utilized as solar concentrating lenses for spacecraft power and propulsion systems. These polymeric lenses concentrate solar energy onto energy conversion devices such as solar cells and thermal energy systems. The conversion efficiency is directly related to the transmissivity of the polymeric lens. The Environmental Effects Group of the Marshall Space Flight Center's Materials, Processes, and Manufacturing Department exposed a variety of materials to a simulated space environment and evaluated them for an, change in optical transmission. These materials include Lexan(TM), polyethylene terephthalate (PET). several formulations of Tefzel(TM). and Teflon(TM), and silicone DC 93-500. Samples were exposed to a minimum of 1000 Equivalent Sun Hours (ESH) of near-UV radiation (250 - 400 nm wavelength). Data will be presented on materials exposed to charged particle radiation equivalent to a five-year dose in geosynchronous orbit. These exposures were performed in MSFC's Combined Environmental Effects Test Chamber, a unique facility with the capability to expose materials simultaneously or sequentially to protons, low-energy electrons, high-energy electrons, near UV radiation and vacuum UV radiation.Prolonged exposure to the space environment will decrease the polymer film's transmission and thus reduce the conversion efficiency. A method was developed to normalize the transmission loss and thus rank the materials according to their tolerance to space environmental exposure. Spectral results and the material ranking according to transmission loss are presented.

Edwards, David L.↗
DOE OSTI2020

High-Temperature Thermophysical Property Measurement of Proposed Gen3 CSP Containment Materials

Abstract The US Department of Energy (DOE) has sponsored an initiative to improve the thermal efficiency of Concentrating Solar Power (CSP) systems. To approach parity with conventional fossil fuel-based electricity generation, the operating temperature of the CSP power cycle must exceed 700°C with integrated thermal energy storage. The materials used to house this high-temperature heat transfer media must be thermally stable and corrosion resistant. However, the temperature-dependent thermophysical properties of commonly used containment materials (nickel alloys and alumina-based firebricks) are either not well known or poorly understood. In this report, the high-temperature thermal properties of thirteen (13) candidate containment materials proposed by the CSP community are tested using laser flash analysis and differential scanning calorimetry.

Brankovic, Sonja A.↗
DOE OSTI2026

Symmetry-engineered chiral magnetotransport in the correlated oxide SrNbO 3

Chiral transport in topological materials, arising from the interplay between topology and chirality, holds significant potential for energy-efficient spintronics and quantum information technologies through dissipationless, coherent charge flow. However, the emergence of chiral transport by tuning the electronic states of novel chiral materials is largely unexplored. Here, we report chiral transport driven by correlated Dirac fermions in SrNbO 3 epitaxial thin films, where strain-induced nonsymmorphic symmetry of oxygen octahedra tunes the material from metallic to Dirac states. Such symmetry-driven Dirac fermions feature a remarkable enhancement of electron mobility and magnetoresistance. Signatures of chiral transport induced by the chiral anomaly, including negative longitudinal magnetoresistance and twofold planar Hall oscillation, are observed in the Dirac semimetallic state, whereas they are absent in the metallic state of SrNbO 3 thin films. This work highlights a crucial role of symmetry engineering in generating chiral charge transport in oxide Dirac semimetals, opening an avenue to novel oxide-based topological and quantum devices.

Materials science↗
DOE OSTI2021

Chalkboard 2 - How to Make Clean Hydrogen

Clean hydrogen is a carbon-free energy carrier that can be produced from water and sustainable energy sources such as wind, solar, and nuclear. Therefore, clean hydrogen is one of the best ways to not only decarbonize the energy supply system, but also address the zero-emission challenges specific to large-carbon emitting industries that are difficult to separate from fossil fuels. To help achieve the Biden Administration's goal of a 100% clean energy economy and net-zero emissions by 2050, several tens of millions of metric tons of clean, low-cost hydrogen will be needed annually. The HydroGEN Advanced Water Splitting Materials (AWSM) Consortium was established in 2016 as part of the Energy Materials Network (EMN) under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office to enhance the performance, improve the durability, and reduce the cost of clean hydrogen production technologies, and it is helping to advance the H2@Scale vision.

08 HYDROGEN↗
DOE OSTI2020

Selecting Adsorbents to Separate Diverse Near-Azeotropic Chemicals

Industrial separations of near-azeotropic chemicals, species with very similar boiling points, are energy- and capital-intensive. Adsorption-based processes can energy-efficiently separate near-azeotropic mixtures provided suitable adsorbent materials can be found. Among the full diversity of industry-relevant molecules, millions of these mixtures exist, meaning that discovery of mixture-specific adsorbents by direct experiment is infeasible. We show that vast numbers of adsorbents and adsorbing molecules can be explored in a powerful way by coupling atomistic simulations with machine learning. This concept is demonstrated by describing the adsorption of ~54000 industry-relevant chemicals in an experimentally derived set of thousands of metal–organic framework materials. Here, our results identify thousands of near-azeotropic mixtures that can be efficiently separated using adsorption and open possibilities for creating adsorption processes for complex mixtures with many components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Learning local equivariant representations for large-scale atomistic dynamics

Abstract A simultaneously accurate and computationally efficient parametrization of the potential energy surface of molecules and materials is a long-standing goal in the natural sciences. While atom-centered message passing neural networks (MPNNs) have shown remarkable accuracy, their information propagation has limited the accessible length-scales. Local methods, conversely, scale to large simulations but have suffered from inferior accuracy. This work introduces Allegro, a strictly local equivariant deep neural network interatomic potential architecture that simultaneously exhibits excellent accuracy and scalability. Allegro represents a many-body potential using iterated tensor products of learned equivariant representations without atom-centered message passing. Allegro obtains improvements over state-of-the-art methods on QM9 and revMD17. A single tensor product layer outperforms existing deep MPNNs and transformers on QM9. Furthermore, Allegro displays remarkable generalization to out-of-distribution data. Molecular simulations using Allegro recover structural and kinetic properties of an amorphous electrolyte in excellent agreement with ab-initio simulations. Finally, we demonstrate parallelization with a simulation of 100 million atoms.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

MXene/graphitic carbon nitride-supported metal selenide for all-solid-state flexible supercapacitor and oxygen evolution reaction

We report a new type of combination of rare earth metal selenides (Ce 2 Se 3 and Er 2 Se 3 ) with a Ti 3 C 2 T x /S-doped graphitic carbon nitride heterostructure for bifunctional application in flexible supercapacitors and oxygen evolution reactions. The incorporation of S-doped graphitic carbon nitride in MXenes reduced the layer stacking tendency of both two-dimensional sheets and eliminated volume expansion by forming a heterostructure. Cerium and erbium rare earth metal centers induce reactive surface sites, whereas binary layers of Ti 3 C 2 T x /S-doped graphitic carbon nitride provide a conducting matrix for the homogeneous growth of the metal selenides. The assembled all-solid-state flexible asymmetric supercapacitor exhibited a high specific capacitance of 60 F g –1 , an energy density of 10.1 W h kg –1 (volumetric energy density: 0.9 mW h cm –3 ) at 2 A g –1 , and 100% capacitance retention after 10 000 charge–discharge cycles with good flexibility for real-time applications. Furthermore, the optimum nanohybrid showed a low overpotential of 280 mV and a Tafel slope of 99 mV dec –1 with durable electrocatalytic performance. Furthermore, this work is the first to investigate the bifunctional energy efficiency of rare earth metal selenides grown over MXene materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Plasmon device design: Conversion from surface to junction plasmons with grating-couplers

Scaling calculations and numerical studies are used to show that grating couplers provide effective energy transfer between surface plasmons and slower modes localized in the tunnel diodes. Within first order perturbation theory in grating amplitude, 90% efficiency energy transfer occurs within micrometers for realistic structures and materials parameters. Scaling laws are derived. Seventy to 90% of the electromagnetic field energy is concentrated in the oxide layer of an MOM diode after the energy is distributed by longer range modes that have less than 0.1% overlap with the tunneling region. The mode conversion allows the requirements separation for energy transport and power production by inelastic tunneling.

Anderson, L. M.↗
NASA NTRS1984

Synthesis and toughness properties of resins and composites

Tensile and shear moduli of four ACEE (Aircraft Energy Efficiency Program) resins are presented along with ACEE composite material modulus predictions based on micromechanics. Compressive strength and fracture toughness of the resins and composites were discussed. In addition, several resin synthesis techniques are reviewed.

Johnston, N. J.↗
NASA NTRS1984

Rotating assembly working group summary

The feasibility of a fail safe flywheel system was demonstrated. Three of the major advantages of flywheel systems are: longer operational life, higher electrical efficiency, and higher system energy density. The use of composite material flywheels is important to realize these advantages. Rotor design and dynamics, rotor materials and fabrication, safety, nondestructive testing, and systems operation loads and environment, are outlined.

Kulkarni, S. V.↗
NASA NTRS1995

Microwave Induced Combustion Synthesis of Ceramic and Ceramic-Metal Composites

In recent years, there has been a renewed interest in combustion synthesis reactions, commonly called self-propagating high-temperature synthesis. These reactions are an attractive, energy efficient approach to the synthesis of high temperature composite materials and metastable phases. Microwaves are used to induce self-propagating high temperature synthesis of ceramic and ceramic-metal composites.

high-temperature ceramics high-temperature synthes↗