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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Predicting partner fitness based on spatial structuring in a light-driven microbial community

Microbial communities have vital roles in systems essential to human health and agriculture, such as gut and soil microbiomes, and there is growing interest in engineering designer consortia for applications in biotechnology ( e . g ., personalized probiotics, bioproduction of high-value products, biosensing). The capacity to monitor and model metabolite exchange in dynamic microbial consortia can provide foundational information important to understand the community level behaviors that emerge, a requirement for building novel consortia. Where experimental approaches for monitoring metabolic exchange are technologically challenging, computational tools can enable greater access to the fate of both chemicals and microbes within a consortium. In this study, we developed an in-silico model of a synthetic microbial consortia of sucrose-secreting Synechococcus elongatus PCC 7942 and Escherichia coli W. Our model was built on the NUFEB framework for Individual-based Modeling (IbM) and optimized for biological accuracy using experimental data. We showed that the relative level of sucrose secretion regulates not only the steady-state support for heterotrophic biomass, but also the temporal dynamics of consortia growth. In order to determine the importance of spatial organization within the consortium, we fit a regression model to spatial data and used it to accurately predict colony fitness. We found that some of the critical parameters for fitness prediction were inter-colony distance, initial biomass, induction level, and distance from the center of the simulation volume. We anticipate that the synergy between experimental and computational approaches will improve our ability to design consortia with novel function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

The role of the iron and steel sector in achieving net zero U.S. CO 2 emissions by 2050

The U.S. steel sector is a hard-to-abate sector because of its heavy dependence on fossil fuels and its high capital requirements. In 2015, the sector was one of the major carbon emitters, contributing 10 % of the U.S. industrial CO 2 emissions. The ability to decarbonize the U.S. iron and steel sector directly affects the ability of the U.S. to achieve economy-wide net zero CO 2 by 2050. In this paper, we use the Global Change Analysis Model (GCAM) to analyze different U.S. steel sector decarbonization pathways under varying technology, policy, and demand futures. These pathways provide insights on how various low-carbon steelmaking technologies such as those using carbon capture and storage (CCS), hydrogen, or scrap could help reduce U.S. steel emissions by mid-century. In our primary decarbonization pathway, we find that nearly all of the conventional fossil-based steelmaking capacity is fully integrated with CCS by 2050. However, without CCS availability, almost all of the conventional fossil-based steelmaking is phased-out by 2050 and is replaced by hydrogen-based production. Scrap-based production continues to remain vital across both of these decarbonization pathways. Furthermore, we find that demand reduction could help reduce the required levels of CCS and hydrogen-based production in the decarbonization pathways. Implementation of advanced energy efficiency measures could help substantially reduce the sector's energy usage. Finally, we observe that addressing the embodied carbon transfer associated with steel imports will be crucial for fully decarbonizing the U.S. steel sector.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Structure-thermal property relationships of aikinite PbCuBiS 3

Understanding the structural properties and chemical bonding in complex multinary chalcogenides is highly valuable, as it provides vital information for controlling their physical properties to suit various technological applications. Here, we report on the structural, thermal, and electronic properties of PbCuBiS 3 by incorporating an experimental and theoretical investigation of this material. Analysis of the experimental temperature-dependent heat capacity and thermal conductivity data show that weak bonding and strong lattice anharmonicity give rise to ultralow thermal conductivity. Chemical bonding information obtained from the density functional theory electronic calculations reveal significant antibonding interactions that underscore the dominant role of the Cu-S tetrahedra on occupied antibonding states, as well as a highly distorted Pb/Bi-S environment inducing weak bonding and strong lattice anharmonicity. This study broadens our understanding of the structure-property relationships for this material, and can be useful for developing this and similar chalcogenide materials for potential applications of interest.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mercury transformation processes in nature: Critical knowledge gaps and perspectives for moving forward

We report the transformation of mercury (Hg) in the environment plays a vital role in the cycling of Hg and its risk to the ecosystem and human health. Of particular importance are Hg oxidation/reduction and methylation/demethylation processes driven or mediated by the dynamics of light, microorganisms, and organic carbon, among others. Advances in understanding those Hg transformation processes determine our capacity of projecting and mitigating Hg risk. Here, we provide a critical analysis of major knowledge gaps in our understanding of Hg transformation in nature, with perspectives on approaches moving forward. Our analysis focuses on Hg transformation processes in the environment, as well as emerging methodology in exploring these processes. Future avenues for improving the understanding of Hg transformation processes to protect ecosystem and human health are also explored.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Solvent selection criteria for temperature-resilient lithium–sulfur batteries

All-climate temperature operation capability and increased energy density have been recognized as two crucial targets, but they are rarely achieved together in rechargeable lithium (Li) batteries. Herein, we demonstrate an electrolyte system by using monodentate dibutyl ether with both low melting and high boiling points as the sole solvent. Its weak solvation endows an aggregate solvation structure and low solubility toward polysulfide species in a relatively low electrolyte concentration (2 mol L −1 ). These features were found to be vital in avoiding dendrite growth and enabling Li metal Coulombic efficiencies of 99.0%, 98.2%, and 98.7% at 23 °C, −40 °C, and 50 °C, respectively. Pouch cells employing thin Li metal (50 μm) and high-loading sulfurized polyacrylonitrile (3.3 mAh cm −2 ) cathodes (negative-to-positive capacity ratio = 2) output 87.5% and 115.9% of their room temperature capacity at −40 °C and 50 °C, respectively. This work provides solvent-based design criteria for a wide temperature range Li-sulfur pouch cells.

25 ENERGY STORAGE↗
DOE OSTI2023

Hybrid Energy System to H2 to Green Steel/Ammonia

Green hydrogen is a vital pathway to decarbonize industrial sectors responsible for the largest portion of greenhouse gas emissions, including ammonia/fertilizer and steel. It takes approximately a GW-scale renewables hybrid-H2 system to fully convert one average U.S. steel plant to a green steel plant, with an annual production capacity of 100 million metric tons per year. The optimized cost-effective operation of renewables-H2 plants are highly dependent on location and the specific end use designs. This project focused on the analysis of GW-scale off-grid, tightly-coupled, co-located systems to reduce overall cost compared with steam methane reform with and without carbon capture and grid connected systems (see Figure 1).

ammonia↗
DOE OSTI2022

Quantitative Stable-Isotope Probing (qSIP) with Metagenomics Links Microbial Physiology and Activity to Soil Moisture in Mediterranean-Climate Grassland Ecosystems

The growth and physiology of soil microorganisms, which play vital roles in biogeochemical cycling, are shaped by both current and historical soil environmental conditions. Here, we developed and applied a genome-resolved metagenomic implementation of quantitative stable isotope probing (qSIP) with an H 2 18 O labeling experiment to identify actively growing soil microorganisms and their genomic capacities. qSIP enabled measurement of taxon-specific growth because isotopic incorporation into microbial DNA requires production of new genome copies. We studied three Mediterranean grassland soils across a rainfall gradient to evaluate the hypothesis that historic precipitation levels are an important factor controlling trait selection. We used qSIP-informed genome-resolved metagenomics to resolve the active subset of soil community members and identify their characteristic ecophysiological traits. Higher year-round precipitation levels correlated with higher activity and growth rates of flagellar motile microorganisms. In addition to heavily isotopically labeled bacteria, we identified abundant isotope-labeled phages, suggesting phage-induced cell lysis likely contributed to necromass production at all three sites. Further, there was a positive correlation between phage activity and the activity of putative phage hosts. Contrary to our expectations, the capacity to decompose the diverse complex carbohydrates common in soil organic matter or oxidize methanol and carbon monoxide were broadly distributed across active and inactive bacteria in all three soils, implying that these traits are not highly selected for by historical precipitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Enhanced Electrolyte Transport and Kinetics Mitigate Graphite Exfoliation and Li Plating in Fast–Charging Li–Ion Batteries

Despite significant progress in energy retention, lithium-ion batteries (LIBs) face untenable reductions in cycle life under extreme fast-charging (XFC) conditions, which primarily originate from a variety of kinetic limitations between the graphite anode and the electrolyte. Through quantitative Li + loss accounting and comprehensive materials analyses, it is directly observed that the operation of LIB pouch cells at 4 C||C/3 (charging||discharging) results in Li plating, disadvantageous solid-electrolyte-interphase formation, and solvent co-intercalation leading to interstitial decomposition within graphite layers. It is found that these failure modes originate from the insufficient properties of conventional electrolytes, where employing a designed ester-based electrolyte improved the capacity retention of these cells from 55.9% to 88.2% after 500 cycles when operated at the aforementioned conditions. These metrics are the result of effective mitigation of the aforementioned failure modes due to superior Li + transport and desolvation characteristics demonstrated through both experimental and computational characterization. Finally, this work reveals the vital nature of electrolyte design to XFC performance.

25 ENERGY STORAGE↗
DOE OSTI2021

Tunable, Bacterio-Instructive Scaffolds Made from Functional Graphenic Materials

The balance of bacterial populations in the human body is critical for human health. Researchers have aimed to control bacterial populations using antibiotic substrates. However, antibiotic materials that non-selectively kill bacteria can compromise health by eliminating beneficial bacteria, which leaves the body vulnerable to colonization by harmful pathogens. Due to their chemical tunablity and unique surface properties, graphene oxide (GO)-based materials – termed “functional graphenic materials” (FGMs) – have been previously designed to be antibacterial but have the capacity to actively adhere and instruct probiotics to maintain human health. Numerous studies have demonstrated that negatively and positively charged surfaces influence bacterial adhesion through electrostatic interactions with the negatively charged bacterial surface. We found that tuning the surface charge of FGMs provides an avenue to control bacterial attachment without compromising vitality. Using E. coli as a model organism for gram-negative bacteria, we demonstrate that negatively charged Claisen graphene (CG), a reduced and carboxylated FGM, is bacterio-repellent through electrostatic repulsion with the bacterial surface. Though positively charged poly-L-lysine (PLL) is antibacterial when free in solution by inserting into the bacterial cell wall, here, we found that covalent conjugation of PLL to CG (giving PLLn-G) masks the antimicrobial activity of PLL by restricting polypeptide mobility. This allows the immobilized positive charge of the PLLn-Gs to be leveraged for E. coli adhesion through electrostatic attraction. We identified the magnitude of positive charge of the PLLn-G conjugates, which is modulated by the length of the PLL peptide, as an important parameter to tune the balance between the opposing forces of bacterial adhesion and proliferation. We also tested adhesion of gram-positive B. subtilis to these FGMs and found that the effect of FGM charge is less pronounced. B. subtilis adheres nondiscriminatory to all FGMs, regardless of charge, but adhesion is scarce and localized. Overall, this work demonstrates that FGMs can be tuned to selectively control bacterial response, paving the way for future development of FGM-based biomaterials as bacterio-instructive scaffolds through careful design of FGM surface chemistry.

Eckhart, Karoline E.↗
DOE OSTI2024

Nested Pebble Bed Blanket (NesPeB)

Recent advances in magnetic confinement fusion technology have attracted billions of dollars of investments in startups from venture capitals and corporations, resulting in the development of devices aiming to demonstrate net energy gain in a self-heated burning plasma, such as SPARC (under construction) and others. However, future fusion power plants must operate in regimes that will require technologies far beyond current experience. According to a National Academies of Science, Engineering, and Medicine report, to have nuclear fusion power plants contributing in a timely manner to the planned reduction of atmospheric carbon dioxide, a pilot plant should be built by 2035, and it should demonstrate fusion power production and the performance of the tritium fuel system (requiring a high enough tritium breeding) by 2040. A recognized key technology gap by [26] is the fusion first wall and blanket since no current blanket concept is considered satisfactory or has been built and proven. The first wall and blanket in magnetic fusion reactors form a vital and complex system, as it must satisfy different functions such as power extraction, tritium breeding, plasma containment, radiation shielding, and safety. The list of design requirements is even longer: high enough tritium production for fusion self-sufficiency, low material activation, decay heat and shutdown dose rates, high thermal efficiency, high-capacity factor, high magnets-divertor-vacuum vessel-first wall life, low corrosion, low cost, and intrinsically safe (requiring minimal licensing). Despite fifty-plus years of research, the first wall and blanket concepts proposed suffer from fundamental technical problems and immaturity (TRL=2-3) that jeopardize the timely delivery of a commercial fusion power plant. A fusion first-wall blanket has never been built nor tested, and a "winning", practical functioning design requires enough engineering margins (high enough tritium breeding considering the uncertainty, etc.), manufacturing simplicity, ease of continuous operation, maintenance, and low cost. A new, groundbreaking blanket concept called "Nested Pebble Bed Blanket" (NesPeB) was developed at ORNL under the successful ARPA-E GAMOW FERMI project (patent application allowed by the USPTO). The NesPeB blanket concept addresses current blanket concepts' shortcomings and technical immaturity, paving the way for accelerated delivery of fusion power plants. NesPeB is based on nested pebbles, which are binary-sized lithium-ceramic pebbles enclosed in "Beryllide" perforated and coated spherical shells, which are also binary-sized, stacked on top of each other, forming a "bed" and cooled by Nitrogen gas also "sweeping" the Helium and Tritium generated by the neutron irradiation of Lithium; the vacuum vessel plasma facing material is Molybdenum-96 and -97 with the first wall cooled by Helium while the divertor armor is made of Tungsten. The simulations of the NesPeB blanket using Fusion Reactors Models Integrator (FERMI) are encouraging as they estimate a tritium breeding ratio (TBR) greater than 1.2 using natural Lithium, acceptable pressure drop, and excellent heat transfer properties. Furthermore, the NesPeB blanket is not limited by magneto-hydro-dynamics (MHD) effects, is designed for online refueling, relies on existing tritium extraction technologies, has a simple construction, and limits the corrosion and chemical reactivity problems. NesPeB has the potential to be transformational and disruptive since it can solve all the main, challenging technical problems of fusion device blankets and accelerate a pilot plant delivery for 10 or more years.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

C@SnS 2 core-shell 0D/2D nanocomposite with excellent electrochemical performance as lithium-ion battery anode

C@SnS 2 core-shell 0D/2D nanocomposite was successfully prepared by a one-step hydrothermal method. The SnS 2 nanosheets were heterogeneously nucleated and grown on the surface of carbon spheres. As an anode for lithium-ion batteries, the electrochemical performance of the C@SnS 2 composite outperforms that of SnS 2 nanoflowers. After 100 cycles, the reversible discharge specific capacity reaches an impressive value of 802 mAh g -1 at a current density of 100 mA g -1 . Even after 600 cycles, the discharge specific capacity remains a value of 442 mAh g -1 , under a high current density of 1 A g -1 . Further, this remarkable lithium-ion storage performance can be attributed to the unique core-shell nanostructure and the synergy between SnS 2 nanosheets and carbon spheres. This study advances our understanding of the vital role of carbon in fabricating nano-heterojunction or composite electrodes and provides a feasible route to significantly improve the electrochemical properties of SnS 2 and other metal sulfides.

25 ENERGY STORAGE↗
DOE OSTI2020

Nickel-rich Nickel Manganese Cobalt (NMC622) Cathode Lithiation Mechanism and Extended Cycling Effects Using Operando X-ray Absorption Spectroscopy

Ni-rich NMC materials are a particularly promising class of Li-ion cathodes for various applications. LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) offers a unique balance of thermal stability and energy density, thus attracting attention for electric vehicle implementation. However, upon extended cycling, capacity fade is prevalent due to structural degradation, which is a major drawback for layered oxide cathodes. Therefore, exploring the underlying phenomena that drive detrimental structural response can lead to future improvements. For the first time, operando X-ray absorption spectroscopy (XAS) was performed on NMC622 pouch cells at three different stages. An extensive description of the first cycle (de)lithiation mechanisms was achieved through X-ray absorption near-edge structure analyses and extended X-ray absorption fine structure modeling. Transition metal specific electrochemical participation and structural variation revealed that much of the delivered capacity and distortion is a result of Ni redox behavior, while the local structure of Co and Mn are impacted due to their interdependencies. Key mechanistic components were identified, as the local structural variation from redox processes and Ni 3+ Jahn–Teller distortion were decoupled. Further, operando XAS was used to investigate the structural response of NMC622 to extended cycling and was supported by X-ray diffraction, X-ray photoelectron spectroscopy, and electrochemical impedance spectroscopy analyses. In this work, reduced capacity was found in the cell after 100 cycles and is attributed to structural degradation and cathode–electrolyte interphase buildup from repeated Li (de)insertion processes, which limit the electrochemical reversibility of Ni and Co through increased polarization. These results expand the understanding of a Ni-rich NMC material under extended cycling, which is vital to the future design of electrode materials.

25 ENERGY STORAGE↗
DOE OSTI2025

Relationship between clay minerals and microorganisms in underground hydrogen storage reservoirs: a mini review

Hydrogen (H 2 ) will play a vital role in the global shift towards sustainable energy systems. Due to the high cost and challenges associated with storing hydrogen in large quantities for industrial applications, Underground Hydrogen Storage (UHS) in geological formations has emerged as a promising solution. Clay minerals, abundant in subsurface environments, play a critical role in UHS by providing low permeability, cation exchange capacity, and stability, essential for preventing hydrogen leakage. However, microorganisms in the subsurface, particularly hydrogenotrophic species, interact with clay minerals in ways that can affect the integrity of these storage systems. Microbes form biofilms on clay surfaces, which can cause pore clogging and reduce the permeability of the reservoir, potentially stabilizing H 2 storage and limiting injectivity. Microbial-induced chemical weathering, through the production of organic acids and redox reactions, can degrade clay minerals, releasing metal ions and destabilizing the storage site. These interactions raise concerns about the long-term storage capacity of UHS, as microbial processes could lead to H 2 loss and caprock degradation, compromising the storage system’s effectiveness. This mini review aims to cover the current understanding of the interactions between clay minerals and microorganisms and how these dynamics can affect the safe and sustainable deployment of UHS .

Clark, Allison↗
DOE OSTI2025

Electric transmission value and its drivers in United States power markets

Electric transmission infrastructure plays a vital role during extreme weather and supply disruptions and can enable low-cost electricity systems. This paper contributes to a more complete understanding of the value and cost-effectiveness of transmission, as well as barriers to its development. By studying wholesale energy market prices in the United States between 2012 and 2022, we find that additional transfer capacity between regions would have been especially valuable, with a median value of $116 million per GW per year. This capacity would often have provided balanced benefits to each region. The market value of transmission was highly influenced by a small fraction of time: 5% of hours typically captured at least 45% of the total value. These peak periods were primarily driven by unforeseen changes in conditions within one day of operations. Annualized transmission infrastructure cost estimates were lower than the average market value for most locations, including all links crossing regional seams, where the value-to-cost ratio was often greater than 4. This suggests that there are barriers to developing valuable grid infrastructure. These results complement forward-looking modeling studies and support efforts to improve modeling practices.

Energy economics↗
DOE OSTI2021

Competitive adsorption within electrode slurries and impact on cell fabrication and performance

We ask why do battery researchers use 10-20 wt% binder in research cells when commercial chemistries use much less? This report seeks to explore this question by understanding the ordering and structure of polyimide binder with a silicon/pitch-carbon black electrode system. Correlating the effect of binder concentration on electrode architecture and electrochemical properties is vital to enhancing silicon anode cycle and calendar life. Using ultra-small angle neutron scattering (USANS) and binder adsorption isotherms an optimal region of polyimide (PI) binder coverage was found. Further, there is a preferential adsorption of PI to carbon black that has to be completed before PI binds to the silicon. Optimizing the concentration of binder leads to a 50% increase in capacity due to the optimization of binder-silicon-carbon interactions.

25 ENERGY STORAGE↗
DOE OSTI2021

Considerations for Distributed Energy Resource Integration in Puerto Rico: DOE Multi-Lab Grid Modeling Support for Puerto Rico; Analytical Support for Interconnection and IEEE Std 1547-2018 National Renewable Energy Laboratory (Task 3.0)

To ensure the sustainable long-term recovery of Puerto Rico's electric power grid from hurricanes María and Irma and to build capacity to manage future potential natural disasters in the most secure and resilient way, the U.S. Department of Energy (DOE) convened experts from multiple national laboratories to develop a comprehensive set of data, models, analytic tools, and studies, considering inputs from a wide variety of stakeholder groups, to support technically sound recommendations for Puerto Rico's energy investment decisions. A resilient electric grid is vital to Puerto Rico's security, economy, and way of life, and it will provide the foundation for essential services that people and businesses on the island rely on every day. This report shows progress for a grid modeling task under the DOE-sponsored project that is a collaboration among the National Renewable Energy Laboratory (NREL) and other national laboratories. In Phase 1 of the multilab effort to support Puerto Rico's recovery, NREL provided the utility company Puerto Rico Electric Power Authority (PREPA) recommendations for a new framework of interconnection standards to accelerate the integration of utility-scale, transmission-connected renewable electrical generation and energy storage that ensure cross-technology compatibility and enable high deployment levels without compromising grid reliably, safety, or security. This Phase 2 report focuses on the interconnection of distributed energy resources (DERs) to the electric distribution system in Puerto Rico. This report is intended to familiarize the reader with Puerto Rico's distribution infrastructure and operational practices and procedures that are relevant to DER interconnection. The report also provides considerations for streamlining the interconnection process given the expected increase in deployments resulting from Puerto Rico's renewable portfolio standard (RPS) goal of 100% renewables by 2050. Accordingly, the report identifies considerations and concerns associated with the increase in intermittent generation, strategies for DER interconnection best practices, and the potential use of the latest technological solutions identified in the latest revision of the Institute of Electrical and Electronics Engineers (IEEE) 1547-2018 interconnection standard.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Facet-Dependent Photodegradation of Methylene Blue by Hematite Nanoplates in Visible Light

The expression of specific crystal facets in different nanostructures is known to play a vital role in determining the sensitivity toward photodegradation of organics, which can generally be ascribed to differences in surface structure and energy. Herein, we report the synthesis of hematite nanoplates with controlled relative exposure of basal (001) and edge (012) facets, enabling us to establish direct correlation between surface structure and the photocatalytic degradation efficiency of methylene blue (MB) in the presence of hydrogen peroxide. MB adsorption experiments showed that the capacity on (001) is about three times larger than on (012), and this is supported by density functional theory calculations suggesting adsorption energies about 1.5 times higher. However, this alone cannot explain the observed MB photodegradation rate, which is around 14.5 times faster on (001) than (012). The enhancement we attribute to a higher availability of photoelectron accepting surface Fe3+ sites on the (001) facet. This facilitates more efficient iron valence cycling and the heterogeneous photo-Fenton reaction yielding MB-oxidizing hydroxyl radicals at the surface. Our findings help establish a rational basis for design and optimization of hematite nanostructures as photocatalysts for environmental remediation.

Zong, Meirong↗
DOE OSTI2025

Topotaxially grown composite cathodes for cobalt-free high-energy long-life Li-ion batteries

The vehicle industry’s increasing demand for electrification necessitates the removal of expensive and rare cobalt from current high-energy batteries. However, eliminating cobalt poses challenges due to its vital role in maintaining the layered structural ordering and cycling stability of commonly used Li(NiMnCo)O 2 cathodes. As an alternative to conventional layered oxide designs, we report a lithium nickelate cathode with a composite structure comprising major stoichiometric layered and minor rocksalt phases within the same oxygen lattice. This material outperforms conventional designs by maintaining stable battery operation at voltages up to 4.8 V vs. Li|Li + , with 88% capacity retention after 1000 cycles at 2C. The topotaxial-growth-enabled interlock between the two components mitigates chemo-mechanical degradation, offering a promising pathway to cobalt-free cathodes. Additionally, we reveal a miscibility gap in the Li-Ni-O system that enables kinetic adjustment of composition and structure during sintering, thereby tuning the functionality of high-energy cathodes.

25 ENERGY STORAGE↗