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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Stabilizing the Solid‐Electrolyte Interphase with Polyacrylamide for High‐Voltage Aqueous Lithium‐Ion Batteries

Abstract The introduction of “water‐in‐salt” electrolyte (WiSE) concept opens a new horizon to aqueous electrochemistry that is benefited from the formation of a solid‐electrolyte interphase (SEI). However, such SEI still faces multiple challenges, including dissolution, mechanical damaging, and incessant reforming, which result in poor cycling stability. Here, we report a polymeric additive, polyacrylamide (PAM) that effectively stabilizes the interphase in WiSE. With the addition of 5 molar % PAM to 21 mol kg −1 LiTFSI electrolyte, a LiMn 2 O 4 ∥L‐TiO 2 full cell exhibits enhanced cycling stability with 86 % capacity retention after 100 cycles at 1 C. The formation mechanism and evolution of PAM‐assisted SEI was investigated using operando small angle neutron scattering and density functional theory (DFT) calculations, which reveal that PAM minimizes the presence of free water molecules at the anode/electrolyte interface, accelerates the TFSI − anion decomposition, and densifies the SEI.

25 ENERGY STORAGE↗
DOE OSTI2021

Probing dense plasmas for HEDS and ICF*

This paper is a retrospective of almost four decades of conceptualization and development of active x-ray probing of dense plasmas, involving multiple teams. In hindsight it was a surprisingly nonlinear and nonsystematic progression, with cycles of key epiphanies followed by multi-step technique optimization, spanning years.Further, each new idea or endeavor, whether or not realized / successful, spawned the next, and not necessarily in order of difficulty. The journey can be summarized by adapting/paraphrasing what Edward Teller said about NIF, that we develop new capabilities precisely because we don't know what those capabilities will enable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

High pressure, high flow rate batch mixing apparatus for high throughput experiments

An automated, high pressure, high flow rate batch mixing apparatus has been designed and constructed for rapid, stable, and repeatable mixing of multiple gases and vapors. The apparatus operates as an intermittent batch mixer with cycles of topping off fresh mixture to maintain pressure in an accumulator tank until consumed in an experimental apparatus. At high duty cycles, the apparatus can also function at steady state. This style of mixing is suitable for experiments such as high repetition rate shock tubes and other devices with intermittent flow demands. It is compact and portable, facilitating use in locations such as synchrotron light sources. The entire apparatus is heated to permit the mixing of vapors from species with low volatilities. The apparatus is fully automated and runs for extended periods with the only intervention being to refresh reagent supplies. Here, the accuracy and repeatability of the apparatus were verified by periodic gas sampling and analysis with gas chromatography. Multi-component mixtures spanning a wide range of complexity, dilution, and volatility of constituents have been prepared. The compositions of the majority of the mixture were found to be stable over several filling cycles, repeatable, and with the proper calibration of set-point conditions, accurate. Challenges were encountered preparing a mixture from multi-component liquids, and potential solutions are discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

In vitro prototyping of limonene biosynthesis using cell-free protein synthesis

Metabolic engineering of microorganisms to produce sustainable chemicals has emerged as an important part of the global bioeconomy. Unfortunately, efforts to design and engineer microbial cell factories are challenging because design-build-test cycles, iterations of re-engineering organisms to test and optimize new sets of enzymes, are slow. To alleviate this challenge, we demonstrate a cell-free approach termed in vitro Prototyping and Rapid Optimization of Biosynthetic Enzymes (or iPROBE). In iPROBE, a large number of pathway combinations can be rapidly built and optimized. The key idea is to use cell-free protein synthesis (CFPS) to manufacture pathway enzymes in separate reactions that are then mixed to modularly assemble multiple, distinct biosynthetic pathways. As a model, we apply our approach to the 9-step heterologous enzyme pathway to limonene in extracts from Escherichia coli. In iterative cycles of design, we studied the impact of 54 enzyme homologs, multiple enzyme levels, and cofactor concentrations on pathway performance. In total, we screened over 150 unique sets of enzymes in 580 unique pathway conditions to increase limonene production in 24 h from 0.2 to 4.5 mM (23–610 mg/L). Finally, to demonstrate the modularity of this pathway, we also synthesized the biofuel precursors pinene and bisabolene. Finally, we anticipate that iPROBE will accelerate design-build-test cycles for metabolic engineering, enabling data-driven multiplexed cell-free methods for testing large combinations of biosynthetic enzymes to inform cellular design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Maximizing energy efficiency in wastewater treatment plants: A data-driven approach for waste heat recovery and an economic analysis using Organic Rankine Cycle and thermal energy storage

Maximizing energy efficiency through waste heat recovery (WHR) processes is crucial for sustainable and ecofriendly operations across multiple industries, notably in wastewater treatment plants (WWTPs). This work proposes a comprehensive approach for assessing the WHR feasibility in WWTPs, structured in two main objectives. Firstly, an Artificial Neural Network (ANN) model is developed to accurately predict WHR based on operational data, including biogas temperature, biogas pressure, daily production in kWh, and WHR values in kWh th . The second objective focuses on economically evaluating the WHR feasibility based on the estimated WHR values obtained by the ANN model, and then realistically assessing the economic feasibility of integrating the Organic Rankine Cycle (ORC) and Seasonal Thermal Energy Storage (STES) systems. With an application to the As-Samra WWTP located in Jordan, the developed ANN model demonstrates promising results in the validation phase, with a root mean square error (RMSE) of 2206 kWh/day, a mean absolute error (MAE) of 1674 kWh/day, and an R-squared (R 2 ) value of 68%. On the other hand, the economic analysis reveals that an optimal ORC system of 412.14 kW e capacity yields a Net Present Value (NPV) of 2.09 million US dollars, a Levelized Cost of Energy (LCOE) of 0.0749 USD/kWh, a Payback Period (PBP) of 4.8 years, and annual revenues of 428 kUSD. This work also investigates the techno-economic feasibility of integrating ORC-STES. Results indicate that the LCOE and PBP are highly affected by the ORC's capital cost, and integrating STES increases the LCOE to 0.0824 USD/kWh, rendering its integration with ORC infeasible. In conclusion, this study aims to advance the understanding and application of WHR in WWTPs, paving the way for more efficient and sustainable practices in the field.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

A Process‐Model Perspective on Recent Changes in the Carbon Cycle of North America

Continental North America has been found to be a carbon (C) sink over recent decades by multiple studies employing a variety of estimation approaches. However, several key questions and uncertainties remain with these assessments. Here we used results from an ensemble of 19 state-of-the-art dynamic global vegetation models from the TRENDYv9 project to improve these estimates and study the drivers of its interannual variability. Our results show that North America has been a C sink with a magnitude of 0.37 ± 0.38 (mean and one standard deviation) PgC year —1 for the period 2000–2019 (0.31 and 0.44 PgC year —1 in each decade); split into 0.18 ± 0.12 PgC year —1 in Canada (0.15 and 0.20), 0.16 ± 0.17 in the United States (0.14 and 0.17), 0.02 ± 0.05 PgC year —1 in Mexico (0.02 and 0.02) and 0.01 ± 0.02 in Central America and the Caribbean (0.01 and 0.01). About 57% of the new C assimilated by terrestrial ecosystems is allocated into vegetation, 30% into soils, and 13% into litter. Losses of C due to fire account for 41% of the interannual variability of the mean net biome productivity for all North America in the model ensemble. Finally, we show that drought years (e.g., 2002) have the potential to shift the region to a small net C source in the simulations (—0.02 ± 0.46 PgC year —1 ). Our results highlight the importance of identifying the major drivers of the interannual variability of the continental-scale land C cycle along with the spatial distribution of local sink-source dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Generation of multiple attosecond sub-bursts in femtosecond pulse trains by long-wavelength driving lasers

High-order harmonics generated by a long intense femtosecond laser are known experimentally to create attosecond pulse trains (APTs). In the time domain, an APT consists of a sequence of sharp attosecond bursts that are equally separated by each half optical cycle. Here, in this work, we show that such well-known features can be modified when a longer wavelength driving laser is used. From our simulations, we show that multiple shorter attosecond sub-bursts exist in the femtosecond pulse train within each half optical cycle and the duration of each sub-burst scales approximately as $λ^{–2}_0$ with the driving laser wavelength λ 0 . We show that such sub-bursts can be found using quantitative rescattering model for harmonics generated from a single atom, and their origin is due to the interference of the quantum orbits from first two returns of the recombining electron. We further show that such sub-bursts can be phase matched under proper laser focusing condition and the position of the gas cell, thus, such new features should be observable experimentally.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Tracking the topology of neural manifolds across populations

Neural manifolds summarize the intrinsic structure of the information encoded by a population of neurons. Advances in experimental techniques have made simultaneous recordings from multiple brain regions increasingly commonplace, raising the possibility of studying how these manifolds relate across populations. However, when the manifolds are nonlinear and possibly code for multiple unknown variables, it is challenging to extract robust and falsifiable information about their relationships. We introduce a framework, called the method of analogous cycles, for matching topological features of neural manifolds using only observed dissimilarity matrices within and between neural populations. We demonstrate via analysis of simulations and in vivo experimental data that this method can be used to correctly identify multiple shared circular coordinate systems across both stimuli and inferred neural manifolds. Conversely, the method rejects matching features that are not intrinsic to one of the systems. Further, as this method is deterministic and does not rely on dimensionality reduction or optimization methods, it is amenable to direct mathematical investigation and interpretation in terms of the underlying neural activity. We thus propose the method of analogous cycles as a suitable foundation for a theory of cross-population analysis via neural manifolds.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Mechanically and Thermally Robust Gel Electrolytes Built from A Charged Double Helical Polymer

Polymer electrolytes have received tremendous interest in the development of solid-state batteries, but often fall short in one or more key properties required for practical applications. Herein, a rigid gel polymer electrolyte prepared by immobilizing a liquid mixture of a lithium salt and poly(ethylene glycol) dimethyl ether with only 8 wt% poly(2,2′-disulfonyl-4,4′-benzidine terephthalamide) (PBDT) is reported. The high charge density and rigid double helical structure of PBDT lead to formation of a nanofibrillar structure that endows this electrolyte with stronger mechanical properties, wider temperature window, and higher battery rate capability compared to all other poly(ethylene oxide) (PEO)-based electrolytes. The ion transport mechanism in this rigid polymer electrolyte is systematically studied using multiple complementary techniques. Li/LiFePO 4 cells show excellent capacity retention over long-term cycling, with thermal cycling reversibility between ambient temperature and elevated temperatures, demonstrating compelling potential for solid-state batteries targeting fast charging at high temperatures and slower discharging at ambient temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Accessing Transient Isomers in the Photoreaction of Metastable‐State Photoacid

The photoreaction of a metastable‐state photoacid (mPAH) generally involves multiple isomers with various connected pathways of photoinduced structural changes during a single reaction cycle. However, only a limited number of isomers have been identified experimentally so far owing to the inherent complexity in combination with the presence of various competing electronic and vibrational processes, as well as the constantly varying interactions between mPAH isomers and solvent molecules. Here, in this work, an optical spectroscopic study on a benzimidazole‐based mPAH, a novel photoacid using benzimidazole as the structural moiety with the active proton, is reported. Through measurements of linear absorption and steady‐state fluorescence in neat solvents and binary mixtures, a pronounced effect of neat water and its binary mixture with glycerol is discovered on the photoreaction of this benzimidazole‐mPAH, manifested by the remarkably distinct spectral responses to irradiation from that observed for an organic solution under identical conditions. Measurements of time‐ and frequency‐resolved fluorescence emission further enable to access transient isomers and the associated spectral characteristics from other competing electronic excited‐state relaxation processes. Spectral deconvolution analysis and time‐dependent density functional theory calculations are applied to separate distinct spectral components and access their potential origin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Multiscale Electrochemomechanics Interaction and Degradation Analytics of Sn Electrodes for Sodium-Ion Batteries

Sodium-ion batteries have emerged as a strong contender among the beyond lithium-ion chemistries due to elemental abundance and the low cost of sodium. Tin (Sn) is a promising alloying electrode with high capacity, redox reversibility, and earth abundance. Tin electrodes, however, undergo a series of intermediate reactions exhibiting multiple voltage plateaus upon sodiation/desodiation. Phase transformations related to incomplete sodiation in tin during cycling, in the presence of a frail solid electrolyte interphase layer, can quickly weaken the structural stability. The structural dynamics and reactivity of the electrode/electrolyte interface, being further dependent on the size and morphology of the active material particle in the presence of different electrolytes, dictate the electrode degradation and survivability during cycling. Here, we paint a comprehensive picture of the underpinnings of the electrochemical and mechanics coupling and electrode/electrolyte interfacial interactions in alloying Sn electrodes. We elicit the fundamental role of electrode/electrolyte complexations in the Sn electrode structure-property-performance relationship based on multimodal analytics, including electrochemical, microscopy, and tomography analyses.

25 ENERGY STORAGE↗
DOE OSTI2023

Daylength variation affects growth, photosynthesis, leaf metabolism, partitioning, and metabolic fluxes

Abstract Daylength, a seasonal and latitudinal variable, exerts a substantial impact on plant growth. However, the relationship between daylength and growth is nonproportional, suggesting the existence of adaptive mechanisms. Thus, our study aimed to comprehensively investigate the adaptive strategies employed by plants in response to daylength variation. We grew false flax (Camelina sativa) plants, a model oilseed crop, under long-day (LD) and short-day (SD) conditions and used growth measurements, gas exchange measurements, and isotopic labeling techniques, including 13C, 14C, and 2H2O, to determine responses to different daylengths. Our findings revealed that daylength influences various growth parameters, photosynthetic physiology, carbon partitioning, metabolic fluxes, and metabolite levels. SD plants employed diverse mechanisms to compensate for reduced CO2 fixation in the shorter photoperiod. These mechanisms included enhanced photosynthetic rates and reduced respiration in the light (RL), leading to increased shoot investment. Additionally, SD plants exhibited reduced rates of the glucose 6-phosphate (G6P) shunt and greater partitioning of sugars into starch, thereby sustaining carbon availability during the longer night. Isotopic labeling results further demonstrated substantial alterations in the partitioning of amino acids and TCA cycle intermediates between rapidly and slowly turning over pools. Overall, the results point to multiple developmental, physiological, and metabolic ways in which plants adapt to different daylengths to maintain growth.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Structural adaptation of oxygen tolerance in 4-hydroxybutyrl-CoA dehydratase, a key enzyme of archaeal carbon fixation

Abstract Autotrophic microorganisms that convert inorganic carbon into organic matter were key players in the evolution of life on Earth. As the early atmosphere became oxygenated, microorganisms needed to develop mechanisms for oxygen protection, especially those relying on enzymes containing oxygen-sensitive metal clusters (e.g., Fe-S). Here we investigated how 4-hydroxybutyryl-CoA dehydratase (4HBD) - the key enzyme of the 3-hydroxypropionate/4-hydroxybutyrate (HP/HB) cycle for CO 2 -fixation - adapted as conditions shifted from anoxic to oxic. 4HBD is found in both anaerobic bacteria and aerobic ammonia-oxidizing archaea (AOA). The oxygen-sensitive bacterial 4HBD and oxygen-tolerant archaeal 4HBD share 59 % amino acid identity. To examine the structural basis of oxygen tolerance in archaeal 4HBD, we determined the atomic resolution structure of the enzyme. Two tunnels providing access to the canonical [4Fe-4S] cluster in oxygen-sensitive bacterial 4HBD were closed with four conserved mutations found in all aerobic AOA and other archaea. Further biochemical experiments and molecular dynamics simulations support our findings that restricting access to the active site is the key to oxygen tolerance, explaining how active site evolution drove a major evolutionary transition. Significance statement Autotrophy (primary production) was the first life strategy on Earth. Before photosynthesis (using solar energy to fix carbon dioxide), life relied on chemical reactions for energy. These chemosynthetic reactions are present in all domains of life, including archaea possessing the most energy-efficient carbon fixation pathway - the 3-hydroxypropionate/4-hydroxybutyrate cycle. This efficiency results from enzyme modifications, including enhanced enzyme stability and catalysis of multiple reactions. We reveal the first structure of aerobic 4-hydroxybutyryl-CoA dehydratase (4HBD) from ammonia-oxidizing archaea. These archaea are among the most abundant organisms on the planet, and their 4HBD active site evolved oxygen tolerance to support aerobic metabolism. This modification can provide further insight into enzyme evolution on early earth, as photosynthesis developed and began oxygenating the atmosphere.

DeMirci, Hasan (ORCID:0000000291355397)↗
DOE OSTI2024

Uncertainties in greenhouse gas emission factors: A comprehensive analysis of switchgrass‐based biofuel production

Abstract This study investigates uncertainties in greenhouse gas (GHG) emission factors related to switchgrass‐based biofuel production in Michigan. Using three life cycle assessment (LCA) databases—US lifecycle inventory (USLCI) database, GREET, and Ecoinvent—each with multiple versions, we recalculated the global warming intensity (GWI) and GHG mitigation potential in a static calculation. Employing Monte Carlo simulations along with local and global sensitivity analyses, we assess uncertainties and pinpoint key parameters influencing GWI. The convergence of results across our previous study, static calculations, and Monte Carlo simulations enhances the credibility of estimated GWI values. Static calculations, validated by Monte Carlo simulations, offer reasonable central tendencies, providing a robust foundation for policy considerations. However, the wider range observed in Monte Carlo simulations underscores the importance of potential variations and uncertainties in real‐world applications. Sensitivity analyses identify biofuel yield, GHG emissions of electricity, and soil organic carbon (SOC) change as pivotal parameters influencing GWI. Decreasing uncertainties in GWI may be achieved by making greater efforts to acquire more precise data on these parameters. Our study emphasizes the significance of considering diverse GHG factors and databases in GWI assessments and stresses the need for accurate electricity fuel mixes, crucial information for refining GWI assessments and informing strategies for sustainable biofuel production.

Kim, Seungdo↗
DOE OSTI2025

Heat transfer and visual observation of pool boiling of next-generation low-pressure refrigerant: R1336mzz(Z)

R1336mzz(Z) is a non-flammable and non-toxic hydrofluoroolefin (HFO), which is a potential alternative working fluid for multiple applications such as centrifugal chillers, industrial high temperature heat pumps, and Organic Rankine Cycles. Pool boiling is one of the primary heat transfer modes in shell-and-tube evaporators, and there is limited data for R1336mzz(Z) due to its recent introduction. This study investigated the pool boiling characteristics of R1336mzz(Z) using a closed-loop apparatus. Heat transfer coefficients on a smooth aluminum surface were measured at various heat fluxes with a heating block, and the results were compared to predictions from various correlations. Additionally, a high-speed camera was employed to visualize and analyze the pool boiling behavior of this next-generation low-pressure refrigerant.

Yang, Cheng-Min [ORNL]↗
DOE OSTI2020

Test Plan to Investigate the Optimal Cure Schedule of an Epoxy Resin for Its Application as an Adhesive in Optocouplers

Epoxy resins are polymeric materials that are known for their versatility, low cost, and strong thermal and mechanical properties. They can be used as coatings, adhesives, automotive primers, and have become staples in electronics, aerospace composites and semiconductor encapsulates. Recently, LANL has experienced a decline in the quality of a specialized electronic device, called an optocoupler, which is normally acquired from commercial suppliers. Because of this, a group at LANL is exploring the feasibility of in-house manufacturing of an optocoupler that is better suited for their application. The current prototype has resulted in adhesive failure after being exposed to several thermal cycles. There is a need to investigate the possible reasons for this failure, particularly how the cure schedule of the epoxy might affect its adhesive strength over time and in cycled temperatures. To assist in this investigation, a test plan has been developed involving multiple experiments using thermomechanical analysis (TMA), dynamic mechanical analysis (DMA) and differential scanning calorimetry (DSC).

36 MATERIALS SCIENCE↗
DOE OSTI2021

RapidClave® Technology Demonstrations – II Hat Stiffener

This project sought to evaluate the cost and performance of both polymeric and metallic tooling for use with the RapidClave® composite process. Teijin’s rapid cure carbon/epoxy prepreg, Q183, was selected to fabricate demonstration components, of aerospace design, which currently are fabricated via compression molding using matched steel tooling. The ability to fabricate components using this prepreg in the RapidClave®, and using low cost single sided tooling, could significantly reduce the cost of part manufacture and shorten production lead times for tooling fabrication. The component demonstration article was a “hat stiffener” geometry typically used to reinforce fuselage or wing skins of an aircraft. A rapid preforming process was demonstrated and rapid process cycle times similar to compression molding were achieved by placing the preform on hot tooling, thus avoiding the time and energy associated with typical thermal cycling. A 90% reduction in tooling cost was achieved through the use of single sided aluminum or polymeric additive tooling when compared to compression molding matched steel tooling. In addition to rapid cycle times, RapidClave® offers the ability to change out tooling in minutes such that multiple part geometries can be fabricated in one shift.

36 MATERIALS SCIENCE↗