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DOE OSTI2021

Reviewing computational studies of defect formation and behaviors in carbon fiber structural units

Solid-state carbon materials, such as graphite and graphene, are at the forefront of materials research because of their unique electronic, vibrational, and mechanical properties, leading to a broad range of potential and realized applications. One key application is their role as basic structural units of carbon fiber (CF), a lightweight alternative to steel. In CF, a delicate relationship exists between ultimate material strength and the atomic-scale density of defects contained at the inter- and intra-subunit levels. Computational studies provide insight into the stability of various types of defects that can form in these systems and connect with experimental observables such as bandgap and spectroscopic measurements. Therefore, the literature contains many computational studies that focus on changes induced by defects, including vacancies and Dienes transformations (Stone-Wales and Thrower defects). However, wide-ranging methods and cell sizes have been used, and property-specific information is often lacking. Furthermore, this review summarizes key literature findings, paying particular attention to changes in the electronic, vibrational, and mechanical properties induced by defects in graphitic materials relevant to CF.

36 MATERIALS SCIENCE↗

DOE OSTI2024

A Review of Nanocarbon-Based Anode Materials for Lithium-Ion Batteries

Renewable and non-renewable energy harvesting and its storage are important components of our everyday economic processes. Lithium-ion batteries (LIBs), with their rechargeable features, high open-circuit voltage, and potential large energy capacities, are one of the ideal alternatives for addressing that endeavor. Despite their widespread use, improving LIBs’ performance, such as increasing energy density demand, stability, and safety, remains a significant problem. The anode is an important component in LIBs and determines battery performance. To achieve high-performance batteries, anode subsystems must have a high capacity for ion intercalation/adsorption, high efficiency during charging and discharging operations, minimal reactivity to the electrolyte, excellent cyclability, and non-toxic operation. Group IV elements (Si, Ge, and Sn), transition-metal oxides, nitrides, sulfides, and transition-metal carbonates have all been tested as LIB anode materials. However, these materials have low rate capability due to weak conductivity, dismal cyclability, and fast capacity fading owing to large volume expansion and severe electrode collapse during the cycle operations. Contrarily, carbon nanostructures (1D, 2D, and 3D) have the potential to be employed as anode materials for LIBs due to their large buffer space and Li-ion conductivity. However, their capacity is limited. Blending these two material types to create a conductive and flexible carbon supporting nanocomposite framework as an anode material for LIBs is regarded as one of the most beneficial techniques for improving stability, conductivity, and capacity. This review begins with a quick overview of LIB operations and performance measurement indexes. It then examines the recently reported synthesis methods of carbon-based nanostructured materials and the effects of their properties on high-performance anode materials for LIBs. These include composites made of 1D, 2D, and 3D nanocarbon structures and much higher Li storage-capacity nanostructured compounds (metals, transitional metal oxides, transition-metal sulfides, and other inorganic materials). The strategies employed to improve anode performance by leveraging the intrinsic features of individual constituents and their structural designs are examined. The review concludes with a summary and an outlook for future advancements in this research field.

25 ENERGY STORAGE↗

DOE OSTI2024

Exploring the Potential of Second-Life Batteries for Mobile Charging Infrastructure: A Review

This review paper investigates the potential applications of second-life batteries (SLBs) specifically for mobile charging stations. As the adoption of electric vehicles (EVs) continues to rise, the need for accessible and efficient charging infrastructure becomes increasingly critical to address range anxiety of EV owners. The repurposing of SLBs presents a promising solution to address this need, offering cost-effective and sustainable alternatives to traditional stationary charging infrastructure. This paper examines key technical considerations, including battery chemistry, state of health assessment, heterogeneity and battery management system design, and safety protocols tailored to SLBs. The paper also highlights economic and environmental implications of utilizing SLBs in mobile charging applications, encompassing techno-economic analysis techniques and sustainability metrics. Through an exploration of challenges, opportunities, and emerging trends, this review aims to provide valuable insights to stakeholders involved in the development and deployment of SLBs in mobile charging infrastructure.

Gautam, Mukesh (ORCID:0000000305715825)↗

NASA NTRS1978

Prospects for a civil/military transport aircraft

The similarities and disparities between commercial and military payloads, design features, missions, and transport aircraft are enumerated. Two matrices of civil/military transport aircraft designs were evaluated to determine the most cost effective payloads for a projected commercial route structure and air freight market. The probability of this market developing and the prospects for alternate route structures and freight markets are evaluated along with the possible impact on the aircraft designs. Proposals to stimulate the market and increase the viability of the common aircraft concept are reviewed and the possible impact of higher cargo demand on prospects for common civil/military freighters is postulated. The implications of planned advanced technology developments on the aircraft performance and cost are also considered.

Jobe, C. E.↗

NASA NTRS1990

Detector array evaluation and figures of merit

The commonly used methods to evaluate the performance of a two-dimensional focal-plane array using charge transfer devices are reviewed. Two figures of merit that attempt to combine quantum efficiency, read noise and dark-current generation into a single parameter are discussed. The figures of merit are suggested as possible alternatives to the D asterisk.

Dereniak, Eustace L.↗

NASA NTRS2010

Cost/Effort Drivers and Decision Analysis

Engineering trade study analyses demand consideration of performance, cost and schedule impacts across the spectrum of alternative concepts and in direct reference to product requirements. Prior to detailed design, requirements are too often ill-defined (only goals ) and prone to creep, extending well beyond the Systems Requirements Review. Though lack of engineering design and definitive requirements inhibit the ability to perform detailed cost analyses, affordability trades still comprise the foundation of these future product decisions and must evolve in concert. This presentation excerpts results of the recent NASA subsonic Engine Concept Study for an Advanced Single Aisle Transport to demonstrate an affordability evaluation of performance characteristics and the subsequent impacts on engine architecture decisions. Applying the Process Based Economic Analysis Tool (PBEAT), development cost, production cost, as well as operation and support costs were considered in a traditional weighted ranking of the following system-level figures of merit: mission fuel burn, take-off noise, NOx emissions, and cruise speed. Weighting factors were varied to ascertain the architecture ranking sensitivities to these performance figures of merit with companion cost considerations. A more detailed examination of supersonic variable cycle engine cost is also briefly presented, with observations and recommendations for further refinements.

Seidel, Jonathan↗

NASA NTRS2018

NASA 2018 Green Propulsion Roadmap

The Green Propulsion Working Group (GPWG) is a technical guidance working group formed April 2017 under the Agency's Capability Leadership Team The GPWG was tasked with recommending an agency road map and providing guidance to NASA on green propulsion technology development and infusion The GPWG's efforts focus on ionic liquid propellants and related technologies The GPWG was chartered with three representatives from NASA Centers currently exploring green propulsion technologies As other Centers may explore programs that utilize green propulsion, membership of the working group can be expanded to include more interested parties Working group also solicits and coordinates with other government agencies (e.g. AFRL, MDA) In 2015, JANNAF hosted a Technical Interchange Meeting (TIM) on Green Monopropellant Alternatives to Hydrazine (GMAH) Included both Government and non-Government contributions on the State-of-the-Art in Green Propulsion Technology Following the TIM, a Government-only session (USAF/AFRL/NASA/MDA/DLA) reviewed and identified remaining technical gaps in Green Propulsion In 2016, an inter-agency team (AFRL/NASA/MDA) worked together to develop an informal inter-agency "roadmap" based on the outcome of the TIM Approach consisted of near-term, mid-term, and long-term technology advancement areas, approaching incrementally larger thrust classes The NASA Green Propulsion Working Group reviewed the work of the 2016 Inter-Agency Working Group, and concurs that the identified technical gaps and technology development areas are still relevant and necessary to see green propulsion technology advanced The GPWG recommends the 2016 roadmap be adopted as baseline for NASA needs, with some additions The focus of the 2016 inter-agency roadmap was primarily on the thruster technology. The Agency must also invest in understanding the broader propulsion system-level technology gaps in parallel. Timeframes are considered suggested from a priority standpoint, but are also flexible as some efforts will need to occur in the nearer term or concurrently in order to meet specific mission requirements The GPWG developed 2018 roadmap breaks down the technology development goals into Technology Development Areas (TDA's), and identifies the near-, mid, and long-term sub-goals within those areas. Those TDA's are: Thruster Hardware Development Modeling & Tools Development Materials Properties and Compatibility Propellant Development.

Cavender, Dan↗

NASA NTRSDate not supplied

Comparison of Two Load Prediction Methods for Strain-Gage Balances

Data from a high-capacity semi-span balance is used to perform a detailed comparison of the load prediction accuracy of two strain-gage balance load prediction methods. Both methods independently obtain their load prediction equations from multivariate least squares fits of balance calibration data. The first method is called Non-Iterative Method. This approach directly uses regression models of the individual load components of a balance for the load prediction. The second method is called Iterative Method. This alternate approach uses a load iteration equation for the load prediction that is constructed from the regression models of the gage outputs of the balance. Basic characteristics of the two methods are reviewed. Afterwards, both methods are applied to calibration and check load data of the chosen balance. Finally, selected analysis results are compared. These comparisons confirmed that the load prediction accuracy of the two methods is the same for all practical purposes.

wind tunnel test↗

NASA NTRSDate not supplied

Comparison of Two Load Prediction Methods for Strain-Gage Balances

Data from a five-component semi-span balance is used to perform a systematic comparison of the load prediction accuracy of two load prediction methods. Both methods independently obtain the load prediction equations from multivariate least squares fits of balance calibration data. The first method is called the Non-Iterative Method. This approach directly uses regression models of the individual load components of a balance for the load prediction. The second method is called the Iterative Method. This alternate approach uses a load iteration equation for the load prediction that is constructed from the regression coefficients of the gage outputs of the balance. Basic characteristics of the two methods are reviewed. Afterwards, both methods are applied to calibration, check load, and wind tunnel test data of a five-component semi-span balance. Selected analysis results are compared. These comparisons confirm that the accuracy of the two methods is the same for all practical purposes.

strain-gage balance↗

DOE OSTI2023

Emerging Technologies Review: Small Modular Reactors

Project 69643 Task 10 - The Air Force Civil Engineer Center has tasked Pacific Northwest National Laboratory with investigating emerging technologies to inform the Air Force’s understanding of the technology and to guide key considerations for implementing technologies that are resilient and alternative sources to the traditional methods used in the Air Force today. This report provides information about small modular reactor (SMR) technology; the components; and the technological, political, regulatory, economic, environmental, operational, and social considerations using existing, publicly available information from government, international, vendor, and Air Force sources.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Sustainable energy and fuels from biomass: a review focusing on hydrothermal biomass processing

Fossil fuels are being replaced with renewable energy resources (biomass and biomass waste, solar, geothermal, wind, etc.) to ensure sustainable development, reduce the dependence on fossil fuels, address environmental challenges including climate change. Today, biomass produces 5 × 10 19 kJ of energy/year, which corresponds to 10% of the annual global energy consumption. Considering the variety of biomass resources, this value is predicted to reach 150 × 10 19 kJ by 2050. Biomass may become even more important for use as an energy resource and chemical raw material in the 21st century. Hydrothermal biomass conversion stands out as a promising and alternative technology. Methods such as traditional gasification and pyrolysis require dry biomass. Hydrothermal techniques have been developed to eliminate the cost and time required for drying biomass. The purpose of this process is to decompose biomass with a high moisture content into small molecules and reduce its oxygen content to obtain liquid fuels or valuable chemicals. Finally, this review presents the current and future state of energy, energy sources, biomass properties and biomass conversion technologies with a focus on hydrothermal technologies.

09 BIOMASS FUELS↗

DOE OSTI2020

Effects of Peptide-Functionalized Surfaces on the Electrochemical Hydrogen Evolution Reaction

Abstract This review outlines the approaches and mechanisms through which peptides and amino acids functionalize electrocatalytically active surfaces to promote or inhibit the electrochemical hydrogen evolution reaction (HER). HER is important in many electrochemical systems. For example, HER is highly desired in water electrolysis, which if driven by renewable energy could serve as a green alternative to the fossil-fuel-driven steam methane-reforming process. However, HER is often an undesired side reaction and thus limits the selectivity of promising electrochemical technologies such as electrochemical nitrogen reduction or carbon dioxide reduction. In pursuing higher product selectivity and yield in emerging and existing electrochemical systems, amino acids and short-chain peptides are promising molecules for the modification of electrochemically active surfaces. Peptides are attractive because they are highly tunable, which allows for versatility in their applications. This short review article summarizes literature that illustrates the mechanisms through which electrode-bound peptides can affect HER including via modulating surface binding and adsorbate coverage, altering the surface composition, and controlling proton transfer rates. Our goal is to motivate additional studies utilizing electrode-bound peptides to modulate electrochemical hydrogen evolution reactions.

Electrochemistry↗

DOE OSTI2023

Dissecting the structural heterogeneity of proteins by native mass spectrometry

Abstract A single gene yields many forms of proteins via combinations of posttranscriptional/posttranslational modifications. Proteins also fold into higher‐order structures and interact with other molecules. The combined molecular diversity leads to the heterogeneity of proteins that manifests as distinct phenotypes. Structural biology has generated vast amounts of data, effectively enabling accurate structural prediction by computational methods. However, structures are often obtained heterologously under homogeneous states in vitro. The lack of native heterogeneity under cellular context creates challenges in precisely connecting the structural data to phenotypes. Mass spectrometry (MS) based proteomics methods can profile proteome composition of complex biological samples. Most MS methods follow the “bottom‐up” approach, which denatures and digests proteins into short peptide fragments for ease of detection. Coupled with chemical biology approaches, higher‐order structures can be probed via incorporation of covalent labels on native proteins that are maintained at the peptide level. Alternatively, native MS follows the “top‐down” approach and directly analyzes intact proteins under nondenaturing conditions. Various tandem MS activation methods can dissect the intact proteins for in‐depth structural elucidation. Herein, we review recent native MS applications for characterizing heterogeneous samples, including proteins binding to mixtures of ligands, homo/hetero‐complexes with varying stoichiometry, intrinsically disordered proteins with dynamic conformations, glycoprotein complexes with mixed modification states, and active membrane protein complexes in near‐native membrane environments. We summarize the benefits, challenges, and ongoing developments in native MS, with the hope to demonstrate an emerging technology that complements other tools by filling the knowledge gaps in understanding the molecular heterogeneity of proteins.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Heterogeneous M-N-C Catalysts for Aerobic Oxidation Reactions: Lessons from Oxygen Reduction Electrocatalysts

Nonprecious metal heterogeneous catalysts composed of first-row transition metals incorporated into nitrogen-doped carbon matrices (M-N-Cs) have been studied for decades as leading alternatives to Pt for the electrocatalytic O 2 reduction reaction (ORR). More recently, similar M-N-C catalysts have been shown to catalyze the aerobic oxidation of organic molecules. Here, this Focus Review highlights mechanistic similarities and distinctions between these two reaction classes and then surveys the aerobic oxidation reactions catalyzed by M-N-Cs. As the active-site structures and kinetic properties of M-N-C aerobic oxidation catalysts have not been extensively studied, the array of tools and methods used to characterize ORR catalysts are presented with the goal of supporting further advances in the field of aerobic oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Solvent Screening for Separation Processes Using Machine Learning and High-Throughput Technologies

As the chemical industry shifts toward sustainable practices, there is a growing initiative to replace conventional fossil-derived solvents with environmentally friendly alternatives such as ionic liquids (ILs) and deep eutectic solvents (DESs). Artificial intelligence (AI) plays a key role in the discovery and design of novel solvents and the development of green processes. This review explores the latest advancements in AI-assisted solvent screening with a specific focus on machine learning (ML) models for physicochemical property prediction and separation process design. Additionally, this paper highlights recent progress in the development of automated high-throughput (HT) platforms for solvent screening. Finally, this paper discusses the challenges and prospects of ML-driven HT strategies for green solvent design and optimization. To this end, this review provides key insights to advance solvent screening strategies for future chemical and separation processes.

Artificial intelligence↗

DOE OSTI2023

Development of wind turbine blade recycling baselines in the United States

Over the past several years, the wind energy industry has received scrutiny regarding wind turbine blade (WTB) recycling due to the landfilling of WTBs caused by a lack of industrially viable recycling solutions. The amount of WTBs that will need to be recycled is set to increase in the United States as the deployment of wind energy is expected to rapidly grow to meet the nation's energy goals by 2035. While significant progress has been made worldwide, it is still unclear which WTB recycling solutions would be the most cost and energy effective within the United States for the existing fleet of wind turbines. To guide researchers and industry with a clear path forward, a range of options for WTB recycling in the United States are modeled through development of baseline scenarios and the use of formal life cycle assessment (LCA). Model data have been collected through literature review, industry engagement, and expert opinion regarding current end of life practices and considerations surrounding equipment, labor, and logistics. A detailed baseline for WTB decommissioning processes has been developed and used to assess alternative approaches, such as on-site shredding to compare the impacts on greenhouse gas (GHG) emissions. The developed LCA model and baseline scenarios for WTB recycling is used to assess the current WTB decommissioning practices in the United States along with emerging recycling pathways, including cement kiln co-processing and pyrolysis. Initial findings indicate that there are different approaches to decommissioning WTBs in the United States, each of which has unique implications for recycling. In light of this finding, additional results from the modeling will be used to better understand decommissioning practices and assist in making educated decisions on recycling pathways for the future. Throughout the analysis, focus was given to where international efforts might differ from the United States. WTB recycling is occurring worldwide, and different countries have different drivers for creating markets for recycled WTB materials. The contrasts and similarities between the United States and other countries offer insight to areas of opportunity that the United States could investigate and areas that can be readily transferred from existing solutions. By modeling and characterizing the current decommissioning practices and potential recycling solutions for the United States, a clearer vision will be created for pathways forward as to how to handle end of life WTBs to enable more efficient and cost-effective opportunities for material recovery from end-of-life WTBs.

Korey, Matt↗

DOE OSTI2022

Maximizing Strength: The Stimuli and Mediators of Strength Gains and Their Application to Training and Rehabilitation

Abstract Spiering, BA, Clark, BC, Schoenfeld, BJ, Foulis, SA, and Pasiakos, SM. Maximizing strength: the stimuli and mediators of strength gains and their application to training and rehabilitation. J Strength Cond Res 37(4): 919–929, 2023—Traditional heavy resistance exercise (RE) training increases maximal strength, a valuable adaptation in many situations. That stated, some populations seek new opportunities for pushing the upper limits of strength gains (e.g., athletes and military personnel). Alternatively, other populations strive to increase or maintain strength but cannot perform heavy RE (e.g., during at-home exercise, during deployment, or after injury or illness). Therefore, the purpose of this narrative review is to (a) identify the known stimuli that trigger gains in strength; (b) identify the known factors that mediate the long-term effectiveness of these stimuli; (c) discuss (and in some cases, speculate on) potential opportunities for maximizing strength gains beyond current limits; and (d) discuss practical applications for increasing or maintaining strength when traditional heavy RE cannot be performed. First, by conceptually deconstructing traditional heavy RE, we identify that strength gains are stimulated through a sequence of events, namely: giving maximal mental effort, leading to maximal neural activation of muscle to produce forceful contractions, involving lifting and lowering movements, training through a full range of motion, and (potentially) inducing muscular metabolic stress. Second, we identify factors that mediate the long-term effectiveness of these RE stimuli, namely: optimizing the dose of RE within a session, beginning each set of RE in a minimally fatigued state, optimizing recovery between training sessions, and (potentially) periodizing the training stimulus over time. Equipped with these insights, we identify potential opportunities for further maximizing strength gains. Finally, we identify opportunities for increasing or maintaining strength when traditional heavy RE cannot be performed.

Sport Sciences↗

NASA NTRS1981

Continued research on selected parameters to minimize community annoyance from airplane noise

Results from continued research on selected parameters to minimize community annoyance from airport noise are reported. First, a review of the initial work on this problem is presented. Then the research focus is expanded by considering multiobjective optimization approaches for this problem. A multiobjective optimization algorithm review from the open literature is presented. This is followed by the multiobjective mathematical formulation for the problem of interest. A discussion of the appropriate solution algorithm for the multiobjective formulation is conducted. Alternate formulations and associated solution algorithms are discussed and evaluated for this airport noise problem. Selected solution algorithms that have been implemented are then used to produce computational results for example airports. These computations involved finding the optimal operating scenario for a moderate size airport and a series of sensitivity analyses for a smaller example airport.

Frair, L.↗