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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 73 records · Page 4

Valuation of Anode Materials for High-Performance Lithium Batteries: From Graphite to Lithium Metal and Beyond

Lithium-ion batteries have revolutionized energy storage, yet advanced technologies such as electric vehicles and eVTOLs demand even higher performance and safety. Anodes, the negative electrodes, are crucial in enhancing batteries’ safety, lifespan, and fast-charging capabilities. This review paper comprehensively evaluates the progression of anode materials from traditional graphite to advanced anodes like lithium metal. Graphite anodes, with a capacity of 372 mAh g −1 , enabled the first commercial lithium-ion batteries, but future applications require higher energy densities and fast-charging capabilities. Emerging anode materials, including alloying, and conversion types, as well as lithium metal, offer significantly higher capacities, with lithium metal offering a theoretical capacity of 3 860 mAh g −1 . However, these advanced anodes face challenges such as volume expansion, high surface reactivity, sluggish Li+ kinetics, and unstable lithium deposition morphologies. Here, this review critically examines the electrochemical performance, interfacial properties, mechanical attributes, and stability issues of various anode materials. It further discusses solid electrolyte interphase (SEI) formation, strategies for enhancing interface stability, and the requirements of anodes for solid-state batteries. Additionally, the review explores potential solutions for limitations with each anode type, highlights innovative anode-free architectures, and evaluates the current and future trends of battery anode industries. Ultimately, this paper aims to guide the development of high-performance anode materials, paving the way for the next generation of efficient, reliable lithium batteries.

Alloying anodes↗

A New Formulation for the Removal and Remediation of Polychlorinated Biphenyls in Painted Structures

This new technology report will describe the laboratory development of a new and innovative solution for the removal and destruction of PCBs found in painted structures or within the binding or caulking material on structures. The technology incorporates a Bimetallic Treatment System (BTS) that extracts and degrades only the PCBs found on the facilities, leaving in most cases the structure virtually unaltered.

Quinn, Jacqueline↗

Adaptive Discovery and Mixed-Variable Optimization of Next Generation Synthesizable Microelectronic Materials

Design of new microelectronic materials is characterized by several challenges such as high-dimensionality of the atomic structure-composition variable space, formidable cost of directly using high-fidelity simulations for design optimization, dispersity in literature-reported similar materials and synthesis methods, complex physical mechanisms, and mixed qualitative and quantitative design variables that lead to a disjointed design space. Even though machine learning (ML) techniques have been employed to expedite materials innovation, existing methods treat ML and design optimization as two separate processes, failing to resolve the fundamental challenges associated with high dimensionality and mixed-variable complexity. We have developed a ML enhanced mixed-variable material design optimization framework to efficiently extract useful information from existing data in literature and physics-based simulations to guide the autonomous search for optimal materials. Our proposed framework is composed of four computational modules: (1) a natural language processing (NLP) based virtual screening module, (2) classification based concept exploration module, (3) a density functional theory (DFT)-based high-fidelity evaluation model, and (4) a novel latent-variable Gaussian process (LVGP) ML model for mixed-variable problems with uncertainty quantification, which seamlessly integrates with Bayesian Optimization (BO) and achieves superb efficiency through embedded physics-based dimension reduction. Our approach is demonstrated and validated using the testbed of functional materials exhibiting metal-insulation transitions (MITs), with the targeted reversible resistivity changes (∼10^5) near room temperature. At the end of the 30-month project, we have developed a series of new ML techniques using NLP, conditional variational autoencoders, active learning, latent-variable Gaussian processes, integrated with Bayesian optimization. Our project has resulted in new predicted MITs compounds and improved understanding of MITs microscopic mechanisms, which in turn will revolutionize microelectronics science to provide energy-saving solutions. Our research has improved both creativity and efficiency in transforming rare-event discoveries of new functional materials to persistent innovations. In addition to open-sourcing the online MIT database and the classification model, the LVGP open source code has been downloaded more than 15,000 times within two years. More than 40 MIT compounds have been identified and many have been pursued experimentally via collaborators. The research results are published in close to 20 collaborative papers in high-impact journals, such as Chem. Mater., Appl. Phys. Rev., Sci. Rep., among others of design space.

36 MATERIALS SCIENCE↗

DEM Solutions Develops Answers to Modeling Lunar Dust and Regolith

With the proposed return to the Moon, scientists like NASA-KSC's Dr. Calle are concerned for a number of reasons. We will be staying longer on the planet's surface, future missions may include dust-raising activities, such as excavation and handling of lunar soil and rock, and we will be sending robotic instruments to do much of the work for us. Understanding more about the chemical and physical properties of lunar dust, how dust particles interact with each other and with equipment surfaces and the role of static electricity build-up on dust particles in the low-humidity lunar environment is imperative to the development of technologies for removing and preventing dust accumulation, and successfully handling lunar regolith. Dr. Calle is currently working on the problems of the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces, particularly to those of Mars and the Moon, and is heavily involved in developing instrumentation for future planetary missions. With this end in view, the NASA Kennedy Space Center's Innovative Partnerships Program Office partnered with OEM Solutions, Inc. OEM Solutions is a global leader in particle dynamics simulation software, providing custom solutions for use in tackling tough design and process problems related to bulk solids handling. Customers in industries such as pharmaceutical, chemical, mineral, and materials processing as well as oil and gas production, agricultural and construction, and geo-technical engineering use OEM Solutions' EDEM(TradeMark) software to improve the design and operation of their equipment while reducing development costs, time-to-market and operational risk. EDEM is the world's first general-purpose computer-aided engineering (CAE) tool to use state-of-the-art discrete element modeling technology for the simulation and analysis of particle handling and manufacturing operations. With EDEM you'can quickly and easily create a parameterized model of your granular solids system. Computer-aided design (CAD) models of real particles can be imported to obtain an accurate representation of their shape. EDEM(TradeMark) uses particle-scale behavior models to simulate bulk solids behavior. In addition to particle size and shape, the models can account for physical properties of particles along with interaction between particles and with equipment surfaces and surrounding media, as needed to define the physics of a particular process.

Dunn, Carol Anne↗

Untapped Benefits of Porous Liquids for Gas Capture: Low-Energy Regeneration

Current liquid-phase gas capture materials incur high operational costs due to energy-intensive regeneration processes, creating an industrial need for alternative materials that retain engineering benefits while reducing energy requirements. Porous liquids (PLs), liquid-phase materials with permanent internal porosity, have emerged as promising replacements with excellent gas absorption capacity and selectivity. Despite these benefits, evaluation of regeneration in PLs remains rare. In this Perspective, we evaluate the effects of solvent interactions, mass transport, and binding site formation that control PL regeneration. While conventional regeneration methods exist in PLs, the diversity of PL compositions allows for novel regeneration processes including light irradiation via use of photosensitive azobenzene-based cages, isostatic compression to collapse internal pore structures, and localized heating via sonication for gas desorption. In conclusion, the wide variability in porous host materials that generate the internal porosity in PLs facilitates innovative low-energy regeneration pathways, positioning them as a transformative solution in separation technologies.

gas capture↗

Grand challenges in the design, manufacture, and operation of future wind turbine systems

Abstract. Wind energy is foundational for achieving 100 % renewable electricity production, and significant innovation is required as the grid expands and accommodates hybrid plant systems, energy-intensive products such as fuels, and a transitioning transportation sector. The sizable investments required for wind power plant development and integration make the financial and operational risks of change very high in all applications but especially offshore. Dependence on a high level of modeling and simulation accuracy to mitigate risk and ensure operational performance is essential. Therefore, the modeling chain from the large-scale inflow down to the material microstructure, and all the steps in between, needs to predict how the wind turbine system will respond and perform to allow innovative solutions to enter commercial application. Critical unknowns in the design, manufacturing, and operability of future turbine and plant systems are articulated, and recommendations for research action are laid out. This article focuses on the many unknowns that affect the ability to push the frontiers in the design of turbine and plant systems. Modern turbine rotors operate through the entire atmospheric boundary layer, outside the bounds of historic design assumptions, which requires reassessing design processes and approaches. Traditional aerodynamics and aeroelastic modeling approaches are pressing against the limits of applicability for the size and flexibility of future architectures and flow physics fundamentals. Offshore wind turbines have additional motion and hydrodynamic load drivers that are formidable modeling challenges. Uncertainty in turbine wakes complicates structural loading and energy production estimates, both around a single plant and for downstream plants, which requires innovation in plant operations and flow control to achieve full energy capture and load alleviation potential. Opportunities in co-design can bring controls upstream into design optimization if captured in design-level models of the physical phenomena. It is a research challenge to integrate improved materials into the manufacture of ever-larger components while maintaining quality and reducing cost. High-performance computing used in high-fidelity, physics-resolving simulations offer opportunities to improve design tools through artificial intelligence and machine learning, but even the high-fidelity tools are yet to be fully validated. Finally, key actions needed to continue the progress of wind energy technology toward even lower cost and greater functionality are recommended.

17 WIND ENERGY↗

ICME for NASA Aerospace Applications: Batteries for Electric Aviation

NASA’s approach to computational materials modeling is detailed in the NASA Vision 2040 Roadmap for Multiscale Modeling and Simulation of Materials and Systems. This report is in the spirit of national initiatives such as the Material Genome Initiative (MGI), Integrated Computational Materials Engineering (ICME), and others. We utilize a combination of fundamental modeling, computational high-throughput screening, and data science methods, e.g., machine learning, are used to find innovative solutions to NASA or national technology challenges. Applications of interest are wide ranging from advanced alloys to batteries to coatings, among others. In this talk, we present three examples for recent work related to NASA applications. First, doping advanced sulfur battery cathodes with selenium boosts electrical conductivity important for electric aircraft applications. First principles calculations will be discussed that result in compositional design maps for these materials. Second, development of icephobic coatings is important to mitigate safety hazards associated with icing for aircraft. Molecular dynamics simulations are reported for ice-surface interfaces to understand adhesion mechanisms and help screen optimal ice-phobic coatings. Third, shape memory alloys have numerous applications as actuators, superelastic materials, etc. for aerospace. We report machine learning models that predict martensitic transition temperatures across a broad swath of compositional space.

John Lawson↗

Idaho National Laboratory Fuel Cycle Science & Technology Overview

The Fuel Cycle Science & Technology Division delivers innovative leadership in the development and assessment of science and engineering-based solutions for the integrated nuclear fuel cycle, critical materials recovery, national security and space related applications through world-class staff and research capabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Hydrogen Production and Li-Ion Battery Performance with MoS2-SiNWs-SWNTs@ZnONPs Nanocomposites

This study explores the hydrogen generation potential via water-splitting reactions under UV-vis radiation by using a synergistic assembly of ZnO nanoparticles integrated with MoS2, single-walled carbon nanotubes (SWNTs), and crystalline silicon nanowires (SiNWs) to create the MoS2-SiNWs-SWNTs@ZnONPs nanocomposites. A comparative analysis of MoS2 synthesized through chemical and physical exfoliation methods revealed that the chemically exfoliated MoS2 exhibited superior performance, thereby being selected for all subsequent measurements. The nanostructured materials demonstrated exceptional surface characteristics, with specific surface areas exceeding 300 m2 g−1. Notably, the hydrogen production rate achieved by a composite comprising 5% MoS2, 1.7% SiNWs, and 13.3% SWNTs at an 80% ZnONPs base was approximately 3909 µmol h−1g−1 under 500 nm wavelength radiation, marking a significant improvement of over 40-fold relative to pristine ZnONPs. This enhancement underscores the remarkable photocatalytic efficiency of the composites, maintaining high hydrogen production rates above 1500 µmol h−1g−1 even under radiation wavelengths exceeding 600 nm. Furthermore, the potential of these composites for energy storage and conversion applications, specifically within rechargeable lithium-ion batteries, was investigated. Composites, similar to those utilized for hydrogen production but excluding ZnONPs to address its limited theoretical capacity and electrical conductivity, were developed. The focus was on utilizing MoS2, SiNWs, and SWNTs as anode materials for Li-ion batteries. This strategic combination significantly improved the electronic conductivity and mechanical stability of the composite. Specifically, the composite with 56% MoS2, 24% SiNWs, and 20% SWNTs offered remarkable cyclic performance with high specific capacity values, achieving a complete stability of 1000 mA h g−1 after 100 cycles at 1 A g−1. These results illuminate the dual utility of the composites, not only as innovative catalysts for hydrogen production but also as advanced materials for energy storage technologies, showcasing their potential in contributing to sustainable energy solutions.

Chemistry↗

Determining Shear Stress Distribution in a Laminate

A "simplified shear solution" method approximates the through-thickness shear stress distribution within a composite laminate based on an extension of laminated beam theory. The method does not consider the solution of a particular boundary value problem; rather, it requires only knowledge of the global shear loading, geometry, and material properties of the laminate or panel. It is thus analogous to lamination theory in that ply-level stresses can be efficiently determined from global load resultants at a given location in a structure and used to evaluate the margin of safety on a ply-by-ply basis. The simplified shear solution stress distribution is zero at free surfaces, continuous at ply boundaries, and integrates to the applied shear load. The method has been incorporated within the HyperSizer commercial structural sizing software to improve its predictive capability for designing composite structures. The HyperSizer structural sizing software is used extensively by NASA to design composite structures. In the case of through-thickness shear loading on panels, HyperSizer previously included a basic, industry-standard, method for approximating the resulting shear stress distribution in sandwich panels. However, no such method was employed for solid laminate panels. The purpose of the innovation is to provide an approximation of the through-thickness shear stresses in a solid laminate given the through-thickness shear loads (Qx and Qy) on the panel. The method was needed for implementation within the HyperSizer structural sizing software so that the approximated ply-level shear stresses could be utilized in a failure theory to assess the adequacy of a panel design. The simplified shear solution method was developed based on extending and generalizing bi-material beam theory to plate-like structures. It is assumed that the through-thickness shear stresses arise due to local bending of the laminate induced by the through-thickness shear load, and by imposing equilibrium both vertically and horizontally, the through-thickness shear stress distribution can be calculated. The resulting shear stresses integrate to the applied shear load, are continuous at the ply interfaces, and are zero at the laminate-free surfaces. If both Qx and Qy shear loads are present, it is assumed that they act independently and that their effects can be superposed. The calculated shear stresses can be rotated within each ply to the principal material coordinates for use in a ply-level failure criterion. The novelty of the simplified shear solution method is its simplicity and the fact that it does not require solution of a particular boundary value problem. The advantages of the innovation are that an approximation of the though-thickness shear stress distribution can be quickly determined for any solid laminate or solid laminate region within a stiffened panel.

Bednarcyk, Brett A.↗

State of Innovation 2024: Paving the Way for Low-Carbon Cement and Concrete

Concrete production in the U.S. accounted for nearly 393 million cubic yards in 2023, with $38.8 billion in revenue. While cement, the key ingredient in concrete, is only 10%-15% of concrete's mixture by mass, 8% of total global emissions come from the production of cement. A significant challenge lies in the fact that roughly 51% of concrete emissions stem from the material calcination process of cement production. Stakeholders ranging from cement producers to government agencies are beginning to take measures to significantly reduce concrete emissions by 2050 and are seeking novel technologies from the startup community. Strategies to lower carbon emissions include reducing quantities of cement in concrete formulas; optimizing digital and automated production; lower temperature processing; carbon capture, utilization, and durable storage; and other cost-saving approaches to energy and material efficiencies. New materials based on carbon mineralization and novel cement chemistries hold the potential to reach net-zero or even carbon-negative concrete production; however, there is presently no readily available substitute that can replicate concrete's unique properties and versatility at the volume demanded by construction worldwide. The nature of concrete's raw materials, diverse applications, and scale of demand means that complete decarbonization will rely on a combination of innovative production methods and novel cement chemistries. Low-carbon solutions will need to compete economically with traditional concrete to become viable in a high-volume commodity market, although consumer demand and regulation will play important roles. Despite these challenges, this analysis reveals that venture capital (VC) investments in low-carbon concrete reflect a growing awareness of the decarbonized cement market opportunity. Between 2022 and 2023 emerging low-carbon technologies garnered more than $700 million in VC investments, representing a growing share of investment in the built environment. An investment gap appears after Series A for technology solutions, demonstrating the sector's potential, as well as the need for additional performance assurance and technology incubation.

cement↗

Enhancing EnergyPlus capabilities to model dynamic building envelopes using python plugin

Nearly half of the energy consumption in the United States is related to buildings, resulting in an urgent need to develop innovative technologies to improve building energy efficiency. Dynamic building envelopes, comprising switchable insulation and thermal energy storage materials, have been proposed recently as a promising solution to reduce buildings' heating and cooling loads by thermally coupling the indoor environment with the ambient environment when beneficial while decoupling them when outdoor conditions are not favorable. Although various related technologies are still underway, the whole-building energy modeling tools, like EnergyPlus, do not have the capability to simulate the transient and dynamic nature of dynamic envelope materials and components to accurately predict their impact on building energy use. The objective of this study is to formulate a method in EnergyPlus simulation engine to model multilayer envelopes, comprising dynamic building materials with variable thermophysical properties, and discuss the changes made to the program using a Python plugin. Furthermore, the thermal performance of the dynamic envelopes using the proposed method is compared and verified with the results from a well-established commercial code, COMSOL Multiphysics. A parametric assessment is also conducted to evaluate the energy efficiency benefits of dynamic envelopes in a single-family residential building, demonstrating total annual energy savings up to 11.6 %, when a dynamic envelope operates alone, and up to 18.2 % when it is combined with a thin layer of phase change material as a thermal storage medium. Finally, a United States wide energy efficiency assessment is presented to showcase the geographical spread of the energy savings. The method designed and implemented in this study provides the researchers with the ability to implement their dynamic insulation methods in EnergyPlus and evaluate the whole building energy impact.

25 ENERGY STORAGE↗

Mitigating Moisture with High-R Walls

Energy-efficient building enclosures are key to decreasing energy load demand and enabling advanced space-conditioning systems for high-performance homes. One efficient enclosure design solution is high-R walls, which feature increased insulation levels as an effective solution for reducing air leakage and permeance of material layers. To increase builder confidence and encourage greater market adoption of high-R walls, Home Innovation Research Labs sought to demonstrate the long-term moisture performance of several high-R wall configurations in cold climate zones. The team monitored 22 newly constructed, occupied homes located throughout climate zones 4–7, where a substantial vapor drive to the exterior is present during the winter.

buildings↗

Robot-based Additive Manufacturing of Lego-type Modular Molds for Wind Blades

The objective of this project is to reduce the cost and lead time of horizontal wind turbine blade mold tooling and blade transportation, while maintaining the highest standards of blade quality. The solution involves a smart-design family of modular molds that are easily transportable to fabrication sites near the place of service. Key innovations include the use of additive manufacturing (AM) to integrate conformal thermal management channels, offering enhanced control over the thermal profiles tailored to specific blade materials. This approach enables in-situ quality assurance during mold fabrication, significantly improves mold life, and allows for reuse across multiple production cycles. Ultimately, the solution aims to optimize both tooling and transportation costs, contributing to the scalability of wind turbine blade production. A significant barrier to scaling up the production of large wind turbine blades lies in the high costs associated with tooling and the transportation of blades. Traditional molds are expensive, bulky, and difficult to transport, adding considerable lead time and cost to the overall manufacturing process. Additionally, transporting blades to distant locations for final assembly further exacerbates these challenges. The project aims to address these inefficiencies by demonstrating a modularized, additive-manufactured mold that meets all necessary blade specification requirements, specifically for blade lengths between 120m and 150m.

17 WIND ENERGY↗

NIAC Phase I Study Final Report on Large Ultra-Lightweight Photonic Muscle Space Structures

The research goal is to develop new tools support NASA's mission of understanding of the Cosmos by developing cost effective solutions that yield a leap in performance and science data. 'Maikalani' in Hawaiian translates to, "knowledge we gain from the cosmos." Missions like Hubble have fundamentally changed humanity's view of the cosmos. Last year's Nobel prize in physics was a result of astronomical discoveries. $9B class JWST size (6.5 meter diameter) space telescopes, when launched are anticipated to rewrite our knowledge of physics. Here we report on a neoteric meta-material telescope mirror technology designed to enable a factor of 100 or more reduction in areal density, a factor of 100 reduction in telescope production and launch costs as well as other advantages; a leap to enable missions to image the cosmos in unprecedented detail, with the associated gain in knowledge. Whether terahertz, visible or X-ray, reflectors used for high quality electromagnetic imaging require shape accuracy (surface figure) to far better than 1 wavelength (lambda) of the incident photons, more typically lambda/10 or better. Imaging visible light therefore requires mirror surfaces that approximate a desired curve (e.g. a sphere or paraboloid) with smooth shape deviation of th less than approximately 1/1000 the diameter of a human hair. This requires either thick high modulus material like glass or metal, or actuators to control mirror shape. During Phase I our team studied a novel solution to this systems level design mass/shape tradespace requirement both to advance the innovative space technology concept and also to help NASA and other agencies meet current operational and future mission requirements. Extreme and revolutionary NASA imaging missions such as Terrestrial Planet Imager (TPI) require lightweight mirrors with minimum diameters of 20 to 40 meters. For reference, NASA's great achievement; the Hubble space telescope, is only 2.4 meters in diameter. What is required is a way to make large inexpensive deployable mirrors where the cost is measured in millions, not billions like current efforts. For example we seek an interim goal within 10 years of a Hubble size (2.4m) primary mirror weighing 1 pound at a cost of 10K in materials. Described here is a technology using thin ultra lightweight materials where shape can be controlled simply with a beam of light, allowing imaging with incredibly low mass yet precisely shaped mirrors. These " Photonic Muscle" substrates will eventually make precision control of giant s p a c e apertures (mirrors) possible. OCCAM substrates make precision control of giant ultra light-weight mirror apertures possible. This technology is posed to create a revolution in remote sensing by making large ultra lightweight space telescopes a fiscal and material reality over the next decade.

Cosmos↗

Synergistic torrefaction of plastic polymers and biomass

This study explores the synergistic torrefaction of biomass and plastics, aimed at enhancing bioenergy production and promoting a circular economy. By leveraging the unique properties of both materials, we investigated the thermochemical transformations occurring during the torrefaction process, from material preparation to the final characteristics of the torrefied product. The biomass used included corn stover (CS) and loblolly pine (LP), while various plastics were categorized from #1 to #7. Torrefaction was conducted at temperatures of 200, 225, and 250 °C, with subsequent extrusion of the torrefied materials and raw materials to produce composite filaments. The results show a consistent decrease in mass yield with increased torrefaction temperature, with notable variations among different biomass-plastic combinations. Co-torrefaction of biomass with polyvinyl chloride and polypropylene resulted in accelerated reaction kinetics, with an observed mass loss rate increase of 15 % at 250 °C compared to the expected rates for individual components. This synergy was quantified, indicating a 20.3 % increase in mass loss for the loblolly pine-polypropylene combination and 23.9 % for corn stover-polypropylene. In contrast, other plastics, including polyethylene terephthalate, high-density polyethylene, low-density polyethylene, polystyrene, and polycarbonate, did not exhibit significant synergistic effects. Mechanical testing indicated that the torrefaction process alters the strength and brittleness of the resulting materials, with implications for their application in bioenergy production and bio-renewable materials. Overall, this research highlights the potential of synergistic torrefaction as a viable strategy for co-processing biomass and plastics, paving the way for innovative solutions in waste management and renewable energy resource development.

09 - BIOMASS FUELS↗

An Innovative Solution to NASA's NEO Impact Threat Mitigation Grand Challenge and Flight Validation Mission Architecture Development

This final technical report describes the results of a NASA Innovative Advanced Concept (NIAC) Phase 2 study entitled "An Innovative Solution to NASA's NEO Impact Threat Mitigation Grand Challenge and Flight Validation Mission Architecture Development." This NIAC Phase 2 study was conducted at the Asteroid Deflection Research Center (ADRC) of Iowa State University in 2012-2014. The study objective was to develop an innovative yet practically implementable solution to the most probable impact threat of an asteroid or comet with short warning time (less than 5 years). The technical materials contained in this final report are based on numerous technical papers, which have been previously published by the project team of the NIAC Phase 1 and 2 studies during the past three years. Those technical papers as well as a NIAC Phase 2 Executive Summary report can be downloaded from the ADRC website (www.adrc.iastate.edu).

NEO↗