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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multimodal Analysis of Reaction Pathways of Cathode Materials for Lithium Ion Batteries

Conversion mechanism in lithium ion batteries provides higher capacity than intercalation mechanism since multiple numbers of electrons and lithium ions are associated. However, poor cycling stability, large voltage hysteresis, and low energy efficiency have been great challenges of conversion reaction. To address those issues, conversion-type electrode materials have been reformed via doping or substituting other elements. For example, iron fluorides (FeF 2 , FeF 3 ) have modified as iron oxyfluorides (FeF 1-x O x ), showing enhanced long-term stability. Furthermore, co-substituted (both anion and cation substituted) Fe 0.9 Co 0.1 OF (FeCoOF) was demonstrated excellent cycling stability. (capacity of 350 mAh g -1 at a current of 500 mA g -1 for 1000 cycles). Substituting anion and cation in iron fluoride has been suggested as an effective method to achieve better reversibility but understanding of lithiation reactions in co-substituted FeCoOF is not clear. This work takes advantage of ex-situ/ in-situ synchrotron X-ray based techniques and transmission electron microscopy to elucidate structural changes with lithium ion, which may provide fundamental insights into modifying conversion-type materials. Figure 1 presents discharge-charge curves and pair distribution function patterns acquired at each potential. As lithium ions were inserted, structural changes were noticed both at short-range and long-range. However, long-range ordering was nearly maintained even at 1 V, indicating absence of conversion reaction. Figure 2 shows lithiation induced structural evolution of a single FeCoOF nanorod observed in real time. As lithiation proceeds, the width of nanorods shows a stepwise increase, particularly A in figure 2d, which may indicate multiple steps of lithiation occur. Considering that conversion reaction takes place around 2 V in FeF 3 , co-substitution Co and O into iron fluoride may change thermodynamic features of lithiation reactions by lowering the initiation potential for conversion reaction. Instead, phase transformations occur at long-range order, which may help maintaining structural integrity during operation, eventually, achieving cycling stability.

25 ENERGY STORAGE↗
DOE OSTI2023

Statistical analysis and degradation pathway modeling of photovoltaic minimodules with varied packaging strategies

Degradation pathway models constructed using network structural equation modeling (netSEM) are used to study degradation modes and pathways active in photovoltaic (PV) system variants in exposure conditions of high humidity and temperature. This data-driven modeling technique enables the exploration of simultaneous pairwise and multiple regression relationships between variables in which several degradation modes are active in specific variants and exposure conditions. Durable and degrading variants are identified from the netSEM degradation mechanisms and pathways, along with potential ways to mitigate these pathways. A combination of domain knowledge and netSEM modeling shows that corrosion is the primary cause of the power loss in these glass/backsheet PV minimodules. We show successful implementation of netSEM to elucidate the relationships between variables in PV systems and predict a specific service lifetime. The results from pairwise relationships and multiple regression show consistency. This work presents a greater opportunity to be expanded to other materials systems.

electrical measurements↗
DOE OSTI2022

Machine learning for surrogate process models of bioproduction pathways

Technoeconomic analysis and life-cycle assessment are critical to guiding and prioritizing bench-scale experiments and to evaluating economic and environmental performance of biofuel or biochemical production processes at scale. Traditionally, commercial process simulation tools have been used to develop detailed models for these purposes. However, developing and running such models can be costly and computationally intensive, which limits the degree to which they can be shared and reproduced in the broader research community. This study evaluates the potential of an automated machine learning approach to develop surrogate models based on conventional process simulation models. The analysis focuses on several high-value biofuels and bioproducts for which pathways of production from biomass feedstocks have been well-established. The results demonstrate that surrogate models can be an accurate and effective tool for approximating the cost, mass and energy balance outputs of more complex process simulations at a fraction of the computational expense.

09 BIOMASS FUELS↗
DOE OSTI2024

Toward 2035: Forging a High-Ambition U.S. Climate Pathway

This analysis takes an integrated, innovative approach to develop plausible, high-ambition pathways through 2035 to inform the third U.S. NDC target setting. This approach combines: (1) an extensive consultation and engagement process with a broad set of federal and subnational stakeholders to build a robust U.S. policy platform; and (2) an open-source, field-leading integrated assessment model focused on the U.S. containing subnational details. The modeling tool assesses existing and possible new policies from both federal and subnational levels to assess the overall emissions reduction potential and the policy pathways to deliver the ambition needed for 2035 and leading on to 2050. In addition, we highlight how different actors can contribute to the needed transition in each sector and showcase successful implementation stories by various subnational actors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Genome-Scale Metabolic Model of Anabaena 33047 to Guide Genetic Modifications to Overproduce Nylon Monomers

Nitrogen fixing-cyanobacteria can significantly improve the economic feasibility of cyanobacterial production processes by eliminating the requirement for reduced nitrogen. Anabaena sp. ATCC 33047 is a marine, heterocyst forming, nitrogen fixing cyanobacteria with a very short doubling time of 3.8 h. We developed a comprehensive genome-scale metabolic (GSM) model, iAnC892, for this organism using annotations and content obtained from multiple databases. iAnC892 describes both the vegetative and heterocyst cell types found in the filaments of Anabaena sp. ATCC 33047. iAnC892 includes 953 unique reactions and accounts for the annotation of 892 genes. Comparison of iAnC892 reaction content with the GSM of Anabaena sp. PCC 7120 revealed that there are 109 reactions including uptake hydrogenase, pyruvate decarboxylase, and pyruvate-formate lyase unique to iAnC892. iAnC892 enabled the analysis of energy production pathways in the heterocyst by allowing the cell specific deactivation of light dependent electron transport chain and glucose-6-phosphate metabolizing pathways. The analysis revealed the importance of light dependent electron transport in generating ATP and NADPH at the required ratio for optimal N2 fixation. When used alongside the strain design algorithm, OptForce, iAnC892 recapitulated several of the experimentally successful genetic intervention strategies that over produced valerolactam and caprolactam precursors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Hanford Site Composite Analysis: Radionuclide Selection for Groundwater Pathway Evaluation

The updated Hanford Site Composite Analysis (CA) (DOE/RL-2019-52, Composite Analysis for Low-Level Waste Disposal in the Hanford Site Central Plateau (FY 2020)) provides an all-pathways dose projection to a hypothetical future member of the public from all planned low-level radioactive waste disposal facilities and potential contributions from all other projected end-state sources of radioactive material left at the Hanford Site following site closure. Its primary purpose is to support the decision-making process of the U.S. Department of Energy (DOE) under DOE O 435.1-1, Radioactive Waste Management, related to managing low-level waste disposal facilities at the Hanford Site. A key aspect of conducting a CA is selecting the radionuclides to be analyzed. This document describes the selection process for radionuclides to be included in the quantitative analysis.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Process-level cost analysis of hybrid manufacturing pathways for aerospace structural components

Hybrid manufacturing is a promising route for producing complex aerospace components, yet systematic cost benchmarking across multiple additive-subtractive pathways remains limited. This study presents a comprehensive process-based cost analysis of seven hybrid manufacturing routes, including laser powder bed fusion (L-PBF), powder- and wire-directed energy deposition (DED), wire arc additive manufacturing (WAAM), additive friction stir deposition (AFSD), metal binder jetting (MBJ), and agility forging, followed by scanning and finish machining. Parametric cost models incorporating direct material, labor, and energy costs were developed. L-PBF results are discussed in detail for a pickle fork component and directly compared with commercial pricing. Across all hybrid routes, labor emerged as the dominant cost driver, contributing more than 70% of total manufacturing cost in some cases. AFSD exhibited the lowest cost for aluminum components, with MBJ being its 316 L stainless steel counterpart, after accounting for geometric scaling. Benchmarking against industrial quotes suggests that hybrid manufacturing can achieve cost levels comparable to those of commercial services, although labor-intensive processes exhibit greater deviation. The analysis highlights automation of material handling, setup, and supervision as key opportunities for improving economic competitiveness. Overall, the proposed framework provides a quantitative basis for evaluating and optimizing hybrid manufacturing pathways for aerospace applications.

Baruah, Sweta [ORNL] (ORCID:0009000174256207)↗
DOE OSTI2020

Techno-Economic Analysis of Synthetic Fuels Pathways Integrated with Light Water Reactors

The purpose of this work is to identify, model, perform techno-economic analysis, and compare two possible synfuel production routes utilizing CO 2 as the feedstock. Heat from an LWR nuclear plant is integrated wherever possible to positively affect the economics of the LWR by converting power to fuels during times of low grid electricity demand. Process and economic modeling for a conceptual synfuel production plant co-located (or in near proximity) with an LWR is presented, including the cost of CO 2 captured from an ethanol plant, compressed, and transported to the LWR hybrid plant, co-electrolysis of the CO 2 with water in a solid oxide electrolyzing cell (SOEC) system to produce syngas, and thermocatalytic conversion of the syngas to transportation fuel. The hybrid LWR/synfuels plant is assumed to be located within 50–150 miles of an ethanol plant (e.g., located in the midwest region of the United States). Performance and nth-plant economics for the co-electrolysis-based processes are evaluated and compared with biomass-gasification-based technology for the synfuel routes considered. Sensitivity analysis around the price of CO 2 and electricity, two of the major cost drivers, is presented for each case. Consideration of a carbon credit is also included in the sensitivity analysis.

10 SYNTHETIC FUELS↗
DOE OSTI2023

Loss Analysis and Performance Optimization Pathways of 729-mV VocSi Solar Cells with Poly-Si on Locally-Etched Dielectric Passivating Contacts

In this article, the performance analysis of a 22.5% efficient polysilicon on silicon oxide (poly-Si/SiOx) passivated contact solar cells with deliberately introduced pinholes using metal-assisted chemical etching (MACE) has been performed with the help of optical analysis using Sunsolve and electrical analysis using Quokka3. The power loss is maximum due to recombination and resistive losses in the bulk (~0.76 mW/cm2 ) followed by power loss due to rear contact recombination (~0.35 mW/cm2 ). Recombination at the front surface also contributes to 0.24 mW/cm2. The effect of improving the bulk lifetime and lowering the recombination current density at the rear side on Voc, FF and efficiency has been investigated.

MACE↗
DOE OSTI2023

Loss Analysis and Performance Optimization Pathways of 729-mV Voc Si Solar Cells with Poly-Si on Locally-Etched Dielectric Passivating Contacts

In this article, the loss analysis of silicon solar cells with polysilicon on locally-etched dielectric passivating contacts with Voc=729.0 mV and efficiency=22.6% has been presented. Experimentally, nano-pinholes were introduced in SiO x (2.2 nm) and SiO x /SiN y (2.2 nm/8nm) stack using metal-assisted chemical etching (MACE). SunSolve and Quokka3 were used to simulate the experimental solar cell and investigate the optical and electrical power losses. Simulations suggest maximum power loss occurs due to recombination and resistive losses in the bulk (~0.76 mW/cm2) followed by power loss due to rear contact recombination (~0.35 mW/cm2). Recombination at the front surface also contributes to 0.24 mW/cm2. The effect of improving the bulk lifetime and lowering the recombination current density at the rear side on Voc, FF and hence, efficiency has been investigated. Further, advanced structures have been proposed to minimize recombination and parasitic absorption to achieve higher Voc and Jsc of the solar cells with locally-etched dielectric passivating contacts.

contacts↗
DOE OSTI2023

Enabling a Sustainable Future: Zero-Emission Vehicles Cost Analysis to Inform Decarbonization Pathways

Despite being only 5% of vehicles on the road, medium- and heavy-duty vehicles (MHDVs) are the second largest contributor to transportation emissions (21%) and a major source of local air pollution disproportionally affecting disadvantaged communities. This talk summarizes a cost analysis for zero emissions vehicles (battery electric EVs and hydrogen fuel cell FCEVs) for all medium and heavy duty applications, ranging from large pick-up trucks, to delivery vans, buses, and heavy trucks. Results show that with continued improvements in vehicle and fuel technologies (in line with U.S. Department of Energy targets and vetted with industry), zero-emission vehicles (ZEVs) can reach total-cost-of-driving parity with conventional diesel vehicles by 2035 for all medium- and heavy-duty (MD/HD) vehicle classes without incentives. Assuming economics drives adoption, ZEV sales could reach 42% of all MD/HD trucks by 2030, reflecting lower combined vehicle purchase and operating costs (using real-world payback periods). Two technological solutions - battery electric vehicles (BEVs) and fuel cell electric vehicles (FCEVs) - are viable in multiple market segments, offering alternative pathways for decarbonization: a) BEVs tend to become cost-competitive for smaller trucks before 2030 and for short-haul (<500-mile) heavy trucks before 2035. b) Hydrogen FCEVs tend to become cost-competitive for long-haul (>500-mile) heavy trucks by 2035. Results are very sensitive to technology improvement trajectories, adoption decision-making, and uncertain assumptions about future freight demand, logistics, and vehicle use explored in multiple scenarios.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2025

Technology Case Study: Techno-Economic and Life Cycle Analysis for Microalgae Conversion Pathways to Fuels and Products

This technology case study report details the cost and sustainability prospects for an emerging feedstock - microalgae - converted to fuels and products via a fractionation and upgrading approach termed combined algae processing (CAP). Detailed techno-economic analysis (TEA) and life cycle analysis (LCA) are conducted for the conversion of farmed algae biomass, with two primary scenarios considering the conversion of either high-compositional-quality biomass enriched in lipids (high-lipid [HL]) or lower-quality biomass enriched in protein (high-protein [HP]). Each scenario employs a different biorefinery configuration tailored towards extracting the maximum value from the given biomass composition. The HL scenario produces fuels and non-isocyanate polyurethane (NIPU) as the primary products, while the HP scenario products fuels and a residual solid coproduct which can be used as a co-feed for producing thermoplastics. The results for the HL scenario were particularly promising, with a minimum fuel selling price (MFSP) of $\$$3.68 per gasoline gallon equivalent (GGE) and fuel GHG emissions translating to 54%-76% reduction compared to petroleum fuels depending on the coproduct handling method used. In contrast, the HP scenario faced more challenges in producing biofuels economically, projecting an MFSP of $\$$7.92/GGE despite significant revenues from the residual algae solids. LCA results for the HP case reflected a 24% reduction potential in biorefinery-level GHG emissions. However, these GHG reductions were primarily associated with the thermoplastic coproduct, which accounted for 93% of all biorefinery outputs by mass. Using a process-level allocation method, carbon intensity results were less promising, indicating a net increase in fuel GHG emissions versus petroleum fuels and highlighting the reliance of this scenario on the thermoplastic coproduct.

09 BIOMASS FUELS↗
DOE OSTI2024

Transcriptomic Analysis of Arachidonic Acid Pathway Genes Provides Mechanistic Insight into Multi-Organ Inflammatory and Vascular Diseases

Arachidonic acid (AA) metabolites have been associated with several diseases across various organ systems, including the cardiovascular, pulmonary, and renal systems. Lipid mediators generated from AA oxidation have been studied to control macrophages, T-cells, cytokines, and fibroblasts, and regulate inflammatory mediators that induce vascular remodeling and dysfunction. AA is metabolized by cyclooxygenase (COX), lipoxygenase (LOX), and cytochrome P450 (CYP) to generate anti-inflammatory, pro-inflammatory, and pro-resolutory oxidized lipids. As comorbid states such as diabetes, hypertension, and obesity become more prevalent in cardiovascular disease, studying the expression of AA pathway genes and their association with these diseases can provide unique pathophysiological insights. In addition, the AA pathway of oxidized lipids exhibits diverse functions across different organ systems, where a lipid can be both anti-inflammatory and pro-inflammatory depending on the location of metabolic activity. Therefore, we aimed to characterize the gene expression of these lipid enzymes and receptors throughout multi-organ diseases via a transcriptomic meta-analysis using the Gene Expression Omnibus (GEO) Database. In our study, we found that distinct AA pathways were expressed in various comorbid conditions, especially those with prominent inflammatory risk factors. Comorbidities, such as hypertension, diabetes, and obesity appeared to contribute to elevated expression of pro-inflammatory lipid mediator genes. Our results demonstrate that expression of inflammatory AA pathway genes may potentiate and attenuate disease; therefore, we suggest further exploration of these pathways as therapeutic targets to improve outcomes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

In situ synchrotron pair distribution function analysis to monitor synthetic pathways under electromagnetic excitation

Electromagnetic (EM) fields, specifically microwave radiation (MWR), can significantly influence the synthesis of ceramic oxide materials and promote rapid, low-temperature growth. However, the mechanisms by which EM fields affect the phase formation process are not well understood. A major limitation to increasing this understanding has been the lack of information regarding dynamic changes in local atomic structure during MWR exposure compared to conventional hydrothermal synthesis routes. Here, we utilize in situ synchrotron X-ray pair distribution function (PDF) analysis to monitor MWR-assisted SnO 2 nanoparticle synthesis. A clear impact of the EM field is demonstrated, with MWR inducing changes in nearest neighbor distances and peaks in oxygen atomic displacement that do not occur during synthesis without MWR exposure. The observed local structural disorder serves as a precursor to rapid rutile SnO 2 nanoparticle crystallization, suggesting that EM field-assisted growth is mediated by changes to the oxygen sublattice. These findings further our understanding of the mechanisms underlying MWR-assisted synthesis and represent a step towards utilizing EM fields to engineer tailored atomic structures for a broad range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

3′ RNA-seq is superior to standard RNA-seq in cases of sparse data but inferior at identifying toxicity pathways in a model organism

The application of RNA-sequencing has led to numerous breakthroughs related to investigating gene expression levels in complex biological systems. Among these are knowledge of how organisms, such as the vertebrate model organism zebrafish (Danio rerio), respond to toxicant exposure. Recently, the development of 3' RNA-seq has allowed for the determination of gene expression levels with a fraction of the required reads compared to standard RNA-seq. While 3' RNA-seq has many advantages, a comparison to standard RNA-seq has not been performed in the context of whole organism toxicity and sparse data. Here, we examined samples from zebrafish exposed to perfluorobutane sulfonamide (FBSA) with either 3' or standard RNA-seq to determine the advantages of each with regards to the identification of functionally enriched pathways. We found that 3' and standard RNA-seq showed specific advantages when focusing on annotated or unannotated regions of the genome. We also found that standard RNA-seq identified more differentially expressed genes (DEGs), but that this advantage disappeared under conditions of sparse data. We also found that standard RNA-seq had a significant advantage in identifying functionally enriched pathways via analysis of DEG lists but that this advantage was minimal when identifying pathways via gene set enrichment analysis of all genes. These results show that each approach has experimental conditions where they may be advantageous. Our observations can help guide others in the choice of 3' RNA-seq vs standard RNA sequencing to query gene expression levels in a range of biological systems.

3’ RNA-seq↗