Forecast-based stochastic optimization for a load powered by wave energy
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Dillon, Trent (ORCID:0000000201036449)↗
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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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A non-melting additive approach to structural repair of aluminum aircraft fastener holes
The damage to fastener holes in aerospace aluminum structures presents significant challenges for aircraft durability, and conventional bushing methods for repairing oversized holes often fall short due to the lack of metallurgical bonding and limited edge distance availability. This study investigates additive friction stir deposition, a non-melting additive process, as a viable alternative for the structural repair of aerospace fastener holes. The repair process, demonstrated on AA7050 (Al-Zn-Mg-Cu-Zr) hole structures, involves filling oversized holes with new material and machining to restore the original hole size. The repaired hole coupons are defect-free and exhibit good fatigue performance under fully reversed tension-compression loading (R = -1). At a nominal stress amplitude of 123.5 MPa, the average number of cycles to failure is 12,666 for unrepaired baseline coupons and 17,372 for effectively repaired coupons. Restoring complex geometries without compromising fatigue performance has been difficult in aerospace applications; this study marks the first demonstration of additive repair that consistently outperforms the unrepaired baseline coupons. Notably, the result is achieved through a low-energy, cost-effective solution without the need for post-repair heat treatment. Except for a few outliers, the post-repair fatigue performance generally remains inferior to that of undamaged, pristine coupons, likely due to precipitate evolution in AA7050 caused by the thermomechanical processing nature of additive friction stir deposition. This evolution weakens the repair region and the adjacent base material, leading to faster crack initiation and growth compared to the properly aged base material, AA7050-T7451.
36 MATERIALS SCIENCE↗
Modular Iron–Bipyridine-Based Conjugated Aerogels as Catalysts for Oxygen Reduction Reaction
Aerogels have a large surface area and a porous structure, which make them an attractive catalyst support materials for fuel cells. Modifying the aerogels’ building blocks and introducing catalytic sites into their backbones allow them to function as both catalysts and supports, thereby increasing the density and distribution of catalyst active sites. In this work, we studied conjugated aerogels containing iron–bipyridine catalytic sites for the oxygen reduction reaction. To demonstrate the variation in physical and electrochemical properties of these aerogels, a series of aerogels were synthesized by a Glaser coupling reaction. Iron salt was added to the three-dimensional gel to produce iron–bipyridine complexes and obtain atomically dispersed catalytic sites. The electrocatalytic activity and electrical conductivity of the aerogels were increased after their heat treatment to yield Fe-doped carbon aerogels. The control of metal loadings was accomplished by changing the bipyridine content during the aerogel synthesis, resulting in 0.9–4.1 wt % Fe. In conclusion, the results show a correlation between Fe loading, aerogel structure, and catalytic activity, achieving high performance for the oxygen reduction reaction in both acidic and alkaline media.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition
The intestinal absorption of cholesterol is mediated by a multipass membrane protein, Niemann-Pick C1-Like 1 (NPC1L1), the molecular target of a cholesterol lowering therapy ezetimibe. While ezetimibe gained Food and Drug Administration approval in 2002, its mechanism of action has remained unclear. Here, we present two cryo–electron microscopy structures of NPC1L1, one in its apo form and the other complexed with ezetimibe. The apo form represents an open state in which the N-terminal domain (NTD) interacts loosely with the rest of NPC1L1, leaving the NTD central cavity accessible for cholesterol loading. The ezetimibe-bound form signifies a closed state in which the NTD rotates ~60°, creating a continuous tunnel enabling cholesterol movement into the plasma membrane. Ezetimibe blocks cholesterol transport by occluding the tunnel instead of competing with cholesterol binding. These findings provide insight into the molecular mechanisms of NPC1L1-mediated cholesterol transport and ezetimibe inhibition, paving the way for more effective therapeutic development.
59 BASIC BIOLOGICAL SCIENCES↗
Multiple microbial guilds mediate soil methane cycling along a wetland salinity gradient
ABSTRACT Estuarine wetlands harbor considerable carbon stocks, but rising sea levels could affect their ability to sequester soil carbon as well as their potential to emit methane (CH 4 ). While sulfate loading from seawater intrusion may reduce CH 4 production due to the higher energy yield of microbial sulfate reduction, existing studies suggest other factors are likely at play. Our study of 11 wetland complexes spanning a natural salinity and productivity gradient across the San Francisco Bay and Delta found that while CH 4 fluxes generally declined with salinity, they were highest in oligohaline wetlands (ca. 3-ppt salinity). Methanogens and methanogenesis genes were weakly correlated with CH 4 fluxes but alone did not explain the highest rates observed. Taxonomic and functional gene data suggested that other microbial guilds that influence carbon and nitrogen cycling need to be accounted for to better predict CH 4 fluxes at landscape scales. Higher methane production occurring near the freshwater boundary with slight salinization (and sulfate incursion) might result from increased sulfate-reducing fermenter and syntrophic populations, which can produce substrates used by methanogens. Moreover, higher salinities can solubilize ionically bound ammonium abundant in the lower salinity wetland soils examined here, which could inhibit methanotrophs and potentially contribute to greater CH 4 fluxes observed in oligohaline sediments. IMPORTANCE Low-level salinity intrusion could increase CH4 flux in tidal freshwater wetlands, while higher levels of salinization might instead decrease CH4 fluxes. High CH4 emissions in oligohaline sites are concerning because seawater intrusion will cause tidal freshwater wetlands to become oligohaline. Methanogenesis genes alone did not account for landscape patterns of CH4 fluxes, suggesting mechanisms altering methanogenesis, methanotrophy, nitrogen cycling, and ammonium release, and increasing decomposition and syntrophic bacterial populations could contribute to increases in net CH4 flux at oligohaline salinities. Improved understanding of these influences on net CH4 emissions could improve restoration efforts and accounting of carbon sequestration in estuarine wetlands. More pristine reference sites may have older and more abundant organic matter with higher carbon:nitrogen compared to wetlands impacted by agricultural activity and may present different interactions between salinity and CH4. This distinction might be critical for modeling efforts to scale up biogeochemical process interactions in estuarine wetlands.
59 BASIC BIOLOGICAL SCIENCES↗
Energy Resilience Options for the Koolauloa Community Resilience Hub – Energy Technology Innovation Partnership Project, Cohort 2: Summary of Findings and Assessment
Hui o Hau‘ula (HoH) is a community organization dedicated to the well-being of the population of the Ko‘olauloa district on the Hawaiian island of Oahu. In response to growing concerns about challenges related to extreme weather events or natural disasters, HoH formulated the concept of the Ko‘olauloa Community Resilience Hub, or KCRH. The KCRH facility would serve as a focal point for the community during normal conditions, while also providing essential services and acting as a safe space during emergencies, natural or man-made. The concept of the KCRH was initially developed in partnership with the Hawaii Natural Energy Institute, +Lab Architects, and the City and County of Honolulu. In the fall of 2023, the U.S. Department of Energy, under the Energy Technology Innovation Partnership Project Program (ETIPP), provided support to the KCRH project, in the form of technical assistance (TA) to be provided by its National Laboratory complex. In this case, the core TA was provided by Sandia National Laboratories, and it was directed to providing options for designing an energy system based at the KCRH that could support critical loads in the event of a 30- day grid outage. The National Renewable Energy Laboratory (NREL) provided communications and logistics support in the project.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
A Community Guide to Regulatory Barriers Affecting Microgrids (Reports 1-3)
In response to growing risks of power outages from extreme weather and aging infrastructure, communities are increasingly exploring the potential of microgrids to provide reliable energy access. Microgrids offer promising solutions to meet this challenge but face a complex landscape of non-technical barriers, particularly regulations concerning the provision and distribution of energy. Most existing legal and regulatory frameworks were designed for a centralized, one-way power system, and are often poorly suited to handle systems that independently balance distributed energy resources with local load. This three-part report series provides a strategic analysis of existing regulatory and legal factors affecting microgrid deployments to help non-technical community leaders and decision-makers better understand the feasibility of a microgrid in their community. -Report No. 1: Foundational Issues Facing Microgrids details the universal policy barriers all microgrids face, including utility interconnection processes, rate structures, and local permitting. -Report No. 2: Single Property Microgrids outlines how direct asset ownership and operating behind-the-meter can bypass some regulatory oversight, using the Blue Lake Rancheria microgrid as a case study. -Report No. 3: Multi-Property Microgrids tackles the complex challenges of crossing public rights-of-way and navigating utility franchise rights, highlighting the Coventry microgrid project. The series equips decision-makers with phased frameworks to navigate financial and regulatory complexities, engage effectively with local utilities and Authorities Having Jurisdiction (AHJs), and structure successful microgrid projects.
24 POWER TRANSMISSION AND DISTRIBUTION↗
A Rapid Microfluidic Neptunium Extraction Using a Supported Liquid Membrane Module
Extraction of neptunium from acidic matrices is important for its quantification, but its complex redox chemistry can cause variable yields. This study develops a microfluidic redox extraction for rapidly separating neptunium from submilliliter samples, achieving up to 90% process yield in less than 10 min for samples as small as 100 μL, with over 97% steady-state yield achieved after 20 min. It uses a supported liquid membrane module loaded with 30 vol % tributyl phosphate in n-dodecane, which performs forward- and back-extractions in a single, continuous step. Neptunium is first oxidized to +6 for extraction and then reduced during stripping. Bromate was selected as an oxidant over permanganate for its greater compatibility with the organic phase, achieving complete oxidation in under 30 s. Ascorbic acid and hydrogen peroxide were both effective reductants. Finally, the system’s high yield and rapid kinetics make it promising for future separations from complex mixtures.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies
Coronavirus nucleocapsid protein (NP) of SARS-CoV-2 plays a central role in many functions important for virus proliferation including packaging and protecting genomic RNA. The protein shares sequence, structure, and architecture with nucleocapsid proteins from betacoronaviruses. The N-terminal domain (NP RBD ) binds RNA and the C-terminal domain is responsible for dimerization. After infection, NP is highly expressed and triggers robust host immune response. The anti-NP antibodies are not protective and not neutralizing but can effectively detect viral proliferation soon after infection. Two structures of SARS-CoV-2 NP RBD were determined providing a continuous model from residue 48 to 173, including RNA binding region and key epitopes. Five structures of NP RBD complexes with human mAbs were isolated using an antigen-bait sorting. Complexes revealed a distinct complement-determining regions and unique sets of epitope recognition. This may assist in the early detection of pathogens and designing peptide-based vaccines. Mutations that significantly increase viral load were mapped on developed, full length NP model, likely impacting interactions with host proteins and viral RNA.
59 BASIC BIOLOGICAL SCIENCES↗
Superelement reduction of substructures for sequential load calculations in OpenFAST
This article presents the superelement formulation newly implemented in OpenFAST to simulate fixed-bottom substructures with a reduced-order model similar to a common industry practice. The Guyan and Craig-Bampton methods are used to reduce the number of degrees of freedom and generate a so-called "superelement". The formulation allows manufacturers to exchange such superelements to perform load calculations without revealing sensitive information about the support structure (e.g., foundation, substructure, and/or tower) or turbine. The source code is made publicly available in the OpenFAST repository. Test cases with varying degrees of complexity are presented to validate the technique, and accuracy issues are discussed.
17 WIND ENERGY↗
Data Management for Digital Twin Implementation: Enhancing Existing SCADA Architecture for INL's CITRC Test Distribution System
The United States power grid will continue to experience stress from aging infrastructure, extreme weather, and increasing loads. In order to strengthen resiliency, researchers need to run tests and simulations that model real-life infrastructure. Idaho National Laboratory (INL) is creating a digital twin of its Critical Infrastructure Test Range Complex (CITRC). CITRC is an at-scale grid testbed which can be configured in utility-realistic distribution scenarios for a variety of tests, such as advanced grid protection and control. A digital twin of this infrastructure would support in-depth tests/simulations without risking physical consequences, before trialing devices under test at-scale. This project focuses on the data acquisition part of constructing a digital twin. It investigates the Supervisory Data Acquisition and Control (SCADA) system of CITRC and explores ways to utilize this system for the twin. Future “ideal” at-scale implementations such as upgraded equipment, modern communication protocols, and automation applications are also explored.
24 - POWER TRANSMISSION AND DISTRIBUTION↗
Geochemistry and Microbiology Predict Environmental Niches with Conditions Favoring Potential Microbial Activity in the Bakken Shale
The Bakken Shale and underlying Three Forks Formation is an important oil and gas reservoir in the United States. The hydrocarbon resources in this region are accessible using unconventional oil and gas extraction methods, including horizontal drilling and hydraulic fracturing. However, the geochemistry and microbiology of this region are not well understood, although they are known to have major implications for productivity and water management. In this study, we analyzed the produced water from 14 unconventional wells in the Bakken Shale using geochemical measurements, quantitative PCR (qPCR), and 16S rRNA gene sequencing with the overall goal of understanding the complex dynamics present in hydraulically fractured wells. Bakken Shale produced waters from this study exhibit high measurements of total dissolved solids (TDS). These conditions inhibit microbial growth, such that all samples had low microbial loads except for one sample (well 11), which had higher 16S rRNA gene copies. Our produced water samples had elevated chloride concentrations typical of other Bakken waters. However, they also contained a sulfate concentration trend that suggested higher occurrence of sulfate reduction, especially in wells 11 and 18. The unique geochemistry and microbial loads recorded for wells 11 and 18 suggest that the heterogeneous nature of the producing formation can provide environmental niches with conditions conducive for microbial growth. This was supported by strong correlations between the produced water microbial community and the associated geochemical parameters including sodium, chloride, and sulfate concentrations. The produced water microbial community was dominated by 19 bacterial families, all of which have previously been associated with hydrocarbon-reservoirs. These families include Halanaerobiaceae, Pseudomonadaceae, and Desulfohalobiaceae which are often associated with thiosulfate reduction, biofilm production, and sulfate reduction, respectively. Notably, well 11 was dominated by sulfate reducers. Our findings expand the current understanding of microbial life in oil and gas related environments, provide new insights into how the unique produced water conditions shape microbial communities, and demonstrate thatproduced water chemistry is tightly linked with microbiota in the Bakken Shale. Finally, our study shows that additional research efforts are necessary to understand this ecosystem and highlights the need for work in other unconventional reservoirs.
Tinker, Kara↗
Viral afterlife: SARS-CoV-2 as a reservoir of immunomimetic peptides that reassemble into proinflammatory supramolecular complexes
It is unclear how severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection leads to the strong but ineffective inflammatory response that characterizes severe Coronavirus disease 2019 (COVID-19), with amplified immune activation in diverse cell types, including cells without angiotensin-converting enzyme 2 receptors necessary for infection. Proteolytic degradation of SARS-CoV-2 virions is a milestone in host viral clearance, but the impact of remnant viral peptide fragments from high viral loads is not known. Here, we examine the inflammatory capacity of fragmented viral components from the perspective of supramolecular self-organization in the infected host environment. Interestingly, a machine learning analysis to SARS-CoV-2 proteome reveals sequence motifs that mimic host antimicrobial peptides (xenoAMPs), especially highly cationic human cathelicidin LL-37 capable of augmenting inflammation. Such xenoAMPs are strongly enriched in SARS-CoV-2 relative to low-pathogenicity coronaviruses. Moreover, xenoAMPs from SARS-CoV-2 but not low-pathogenicity homologs assemble double-stranded RNA (dsRNA) into nanocrystalline complexes with lattice constants commensurate with the steric size of Toll-like receptor (TLR)-3 and therefore capable of multivalent binding. Such complexes amplify cytokine secretion in diverse uninfected cell types in culture (epithelial cells, endothelial cells, keratinocytes, monocytes, and macrophages), similar to cathelicidin’s role in rheumatoid arthritis and lupus. The induced transcriptome matches well with the global gene expression pattern in COVID-19, despite using <0.3% of the viral proteome. Delivery of these complexes to uninfected mice boosts plasma interleukin-6 and CXCL1 levels as observed in COVID-19 patients.
60 APPLIED LIFE SCIENCES↗
Shock Compression of Fluorapatite to 120 GPa
Apatite is a phosphate mineral relevant to shock metamorphism in planetary materials. Here, we report on the response of natural fluorapatite from Durango, Mexico under shock wave loading between 14.5 and 119.5 GPa. Wave profile measurements were obtained in plate-impact experiments conducted on [0001]-oriented fluorapatite single crystals. To GPa peak stresses, we observed a two-wave structure indicating an elastic-inelastic response with elastic wave amplitudes of 10.5–13.1 GPa. Between 39.1 and 62.1 GPa, a complex wave structure was observed involving the propagation of three waves. At and above 73.7 GPa, only a single shock wave was observed. The data above 73.7 GPa provided the following linear shock velocity – particle velocity relationship: U s = 6.5(2) + 0.78(6) u p , (mm/μs). Above 80 GPa, the densities in the shocked state exceed both the extrapolated 300-K density of fluorapatite and the predicted 300-K density for a mixture of the high-pressure assemblage, tuite and CaF 2 . Furthermore, this result indicates that fluorapatite undergoes a transition to a denser structure under shock loading at these conditions. The shock response of fluorapatite is observed to be similar to enstatite but stiffer than quartz and albite at the stresses examined in this work.
58 GEOSCIENCES↗
Understanding and improving anode performance in an alkaline membrane electrolyzer using statistical design of experiments
The behavior of the oxygen-evolving positive electrode (i.e. anode) in the anion exchange membrane water electrolyzer (AEMEL) is complex and influenced by several factors. Very few studies have been performed to understand oxygen evolution reaction (OER) behavior by optimizing the individual factors that influence performance. Here, this study highlights the effects of catalyst loading, catalyst selection, porous transport layer (PTL) type and conductive additive content. The influence of each factor is elucidated through a design of experiments (DoE) approach with a full statistical analysis. Electrochemical data, alongside Pareto charts, parametric trends and their mutual interactions are discussed. This DoE approach is also helpful in making useful predictions and discovering new combinations to be tested. The end result was a high-performance AEMEL able to operate at a current density of 1.0 A/cm 2 at 1.80 V with IrOx OER and PtNi hydrogen evolution reaction (HER) catalysts using 0.3 M KOH fed to the anode. Even lower operating voltage was observed with PbRuOx catalyst at the anode, 1.64 V @ 1.0 A/cm 2 , though the cell decay rate was higher. Lastly, a IrOx/PtNi cell was stably operated continuously for 30 days (720 h) at 1.0 A/cm 2 . This study can serve as a guide for optimal electrode design with insights into component-performance compromises, which can aid in making design choices and performing techno-economic analyses.
08 HYDROGEN↗
Learning macroscopic internal variables and history dependence from microscopic models
This paper concerns the study of history dependent phenomena in heterogeneous materials in a two-scale setting where the material is specified at a fine microscopic scale of heterogeneities that is much smaller than the coarse macroscopic scale of application. Here, we specifically study a polycrystalline medium where each grain is governed by crystal plasticity while the solid is subjected to macroscopic dynamic loads. The theory of homogenization allows us to solve the macroscale problem directly with a constitutive relation that is defined implicitly by the solution of the microscale problem. However, the homogenization leads to a highly complex history dependence at the macroscale, one that can be quite different from that at the microscale. In this paper, we examine the use of machine-learning, and especially deep neural networks, to harness data generated by repeatedly solving the finer scale model to: (i) gain insights into the history dependence and the macroscopic internal variables that govern the overall response; and (ii) to create a computationally efficient surrogate of its solution operator, that can directly be used at the coarser scale with no further modeling. We do so by introducing a recurrent neural operator (RNO), and show that: (i) the architecture and the learned internal variables can provide insight into the physics of the macroscopic problem; and (ii) that the RNO can provide multiscale, specifically FE 2 , accuracy at a cost comparable to a conventional empirical constitutive relation.
36 MATERIALS SCIENCE↗
Selective Removal of Barium and Hardness Ions from Brackish Water with Chemically Enhanced Electrodialysis
The use of a nonconventional water resource for energy and industrial applications often requires extraction of low-level undesirable ions from matrices of benign dominant ions. In this study, the selective extraction of Ba 2+ and Mg 2+ from synthetic brine solutions was evaluated using strong acid cation-exchange membranes modified with the surface deposition of macrocyclic molecules including crown ethers and calixarenes. Compared to the bare membrane, vinylbenzo-18-crown-6 (VB18C6) and calix[4]arene-amended membranes showed increased selectivity for Ba 2+ and Mg 2+ with respect to the dominant ion (Na + ) by up to fourfolds, with the calix[4]arene-modified membrane achieving more selective separation than VB18C6. Optimal selectivity was achieved at a moderate-to-high current density (3.1–6.3 mA/cm 2 ), which was attributed to the alleviation of transport limitation in the boundary layer by the surface modification. Amendment of a calix[4]arene derivative with a crown-6 “boot strap” and two carboxylic groups resulted in reduced selectivity due to the formation of strong complexes with divalent ions. Furthermore, these results show that surface deposition of ion sequestrants can be a versatile approach to improve the membrane’s selectivity; however, the performance is sensitive to feed water salinity, current loading, and the macrocycle-ion chemistry, where there is a trade-off between ion affinity and mobility.
36 MATERIALS SCIENCE↗
Visible-light H 2 evolution using dye-sensitized TiO 2 : effects of physicochemical properties of TiO 2 on excited carrier dynamics and activity
Dye-sensitized photocatalysts have emerged as promising materials for solar-driven water splitting due to their ability to utilize visible light, in contrast to conventional wide-band-gap semiconductors. However, the relationship between semiconductor properties and charge carrier dynamics remains insufficiently understood. In this study, we investigated Pt/TiO 2 systems sensitized with a visible-light-absorbing Ru(II) polypyridyl complex (RuP), focusing on how the crystal phase and specific surface area of TiO 2 influence excited carrier dynamics and H 2 evolution activity. To isolate the effects of TiO 2 properties, Pt and RuP loadings were standardized across samples. Emission lifetime analysis showed similarly efficient electron injection from RuP to TiO 2 in all cases, suggesting that injection efficiency does not account for observed differences in activity. Transient absorption measurements revealed that back electron transfer (BET) rates depended strongly on the TiO 2 phase, with anatase and P25 exhibiting slower BET and higher activity for H 2 evolution than rutile. The highest apparent quantum yield for H 2 evolution was 12.0% at 450 nm. Among anatase samples, larger surface areas correlated with higher activity, while smaller-area samples exhibited slower BET rates but still low H 2 evolution activity, implying a role for RuP dye–dye interactions in performance loss. This was further supported by improvements in H 2 evolution activity by lowering RuP loading or adding co-adsorbents. Overall, these results demonstrate that both BET suppression and control over RuP dye aggregation are essential for designing efficient dye-sensitized photocatalytic systems.
Harada, Kakeru [Institute of Science Tokyo (Japan)↗