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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Structural Instability in Electrically Stressed, Oxygen Deficient BaTiO 3 Nanocrystals

The dynamics of oxygen vacancies under external stimuli dominates the performance of many solid-state devices, including capacitors, oxide memristors, anionic conductors, etc. By means of in-situ Transmission Electron Microscopy, we found in BaTiO 3 perovskite nanocrystals that formation of oxygen vacancies due to electrical stressing renders the oxide amorphizable under electron beam illumination, suggesting the presence of a threshold concentration of oxygen vacancy affecting the structural stability of BaTiO 3 crystals upon high energy radiation. In contrast to the structural change, the resistivity of the nanocrystal seems not liable to the amorphization prior to dielectric breakdown at higher voltage bias. Here, we propose that an increase in oxygen vacancy content promotes oxygen mobility in the perovskite structure allowing electron beam induced electric field to modify the local structural and composition. Our in-situ observations reveal the central role of oxygen vacancies in the structural stability of perovskites which is of paramount importance to their applications in extreme environments and suggest a potential new route to micro-processing perovskite oxides using the electron beam via oxygen vacancy management without severely compromising the electric property.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A deep redox proteome profiling workflow and its application to skeletal muscle of a Duchenne Muscular Dystrophy model

Perturbation to the redox state accompanies many diseases and its effects are viewed through oxidation of biomolecules, including proteins, lipids, and nucleic acids. The thiol groups of protein cysteine residues undergo an array of redox post-translational modifications (PTMs) that are important for regulation of protein and pathway function. To better understand what proteins are redox regulated following a perturbation, it is important to be able to comprehensively profile protein thiol oxidation at the proteome level. Herein, we report a deep redox proteome profiling workflow and demonstrate its application in measuring the changes in thiol oxidation along with global protein expression in skeletal muscle from mdx mice, a model of Duchenne Muscular Dystrophy (DMD). In depth coverage of the thiol proteome was achieved with >18,000 Cys sites from 5608 proteins in muscle being quantified. Compared to the control group, mdx mice exhibit markedly increased thiol oxidation, where ~2% shift in the median oxidation occupancy was observed. Further, pathway analysis for the redox data revealed that coagulation system and immune-related pathways were among the most susceptible to increased thiol oxidation in mdx mice, whereas protein abundance changes were more enriched in pathways associated with bioenergetics. This study illustrates the importance of deep redox profiling in gaining greater insight into oxidative stress regulation and pathways/processes that are perturbed in an oxidizing environment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Progress on Optimizing Wind Farms and Rotor Designs Using Adjoints

Modern wind plants are increasingly tasked with multiple performance objectives. In addition to designing plants that maximize power output and minimize the levelized cost of energy (LCOE), the design and operation of wind plants is increasingly influenced by challenges regarding grid integration of variable generation renewables. This places a growing emphasis on making wind plants more controllable and predictable. WindSE is a Reynolds-averaged Navier-Stokes (RANS) model designed around analytical gradient and adjoint methods, with the ability to capture terrain-induced effects, as shown in Figure 1. The recent addition of an unsteady solver with an actuator line method (ALM) and ongoing work to enable massively parallel optimizations gives it a unique niche to explore coupled plant-level controls and design problems. This code is an open source python package built on the FEniCS framework that utilizes fast, parallel PETSc solvers to model fluid flow throughout wind-farm scale domains. Two recent studies performed using WindSE demonstrate the capability to optimize under a wide variety of flow conditions and objective functions. In the first, we present an optimization focused on modifying the layout of a wind farm with a fixed number of turbines for maximum total power output [1]. This study highlights the ability to quickly perform simulations using the steady Navier-Stokes solver combined with rotors represented as actuator disks while also stressing the importance of capturing terrain-induced effects. Gradient-based optimization using the RANS equations is viable due to the inclusion of efficiently computed adjoint derivatives. We interpret the physical results of the optimal layout and also discuss the computational cost of scaling to larger problems. In the second study, we present the capabilities of the unsteady Navier-Stokes solver, where rotor-blade profiles represented by actuator lines are optimized to enhance wake steering effects and overall power production [2]. We quantify the wind plant performance gains obtained from this type of simultaneous control co-design optimization as compared to optimizing the blade design and yaw independently. Figure 2 shows the differences between a baseline two-turbine system and an optimized system where we fine-tune the blade chord profile. Results and challenges from each study are quickly summarized and used to motivate the current development efforts within WindSE. Current and future work is focused on enabling higher-resolution studies with more degrees of freedom through parallelization of both the simulation and optimization algorithms. We present benchmarking results to show that WindSE performs well in both weak- and strong-scaling tests and further demonstrate that the optimizer obtains the same convergence rates in both shared- and distributed-memory environments. Using larger wind farms, we can study deep-array effects within an optimization context, allowing the use of objective functions that have been previously unstudied. As an example, we present ongoing work on a blockage metric which characterizes the loss of available kinetic energy due to wake effects from multiple upstream turbines.

adjoint optimization↗
DOE OSTI2023

A dynamic parameterization of sulfuric acid–dimethylamine nucleation and its application in three-dimensional modeling

Sulfuric acid (SA) is a governing gaseous precursor for atmospheric new particle formation (NPF), a major source of global ultrafine particles, in environments studied around the world. In polluted urban atmospheres with high condensation sinks (CSs), the formation of stable SA–amine clusters, such as SA–dimethylamine (DMA) clusters, usually initializes intense NPF events. Coagulation scavenging and cluster evaporation are dominant sink processes of SA–amine clusters in urban atmospheres, yet these loss processes are not quantitatively included in the present parameterizations of SA–amine nucleation. We herein report a parameterization of SA–DMA nucleation, based on cluster dynamic simulations and quantum chemistry calculations, with certain simplifications to greatly reduce the computational costs. Compared with previous SA–DMA nucleation parameterizations, this new parameterization was able to reproduce the dependences of particle formation rates on temperature and CSs. We then incorporated it in a three-dimensional (3-D) chemical transport model to simulate the evolution of the particle number size distributions. Simulation results showed good consistency with the observations in the occurrence of NPF events and particle number size distributions in wintertime Beijing and represented a significant improvement compared to that using a parameterization without coagulation scavenging. Quantitative analysis shows that SA–DMA nucleation contributes significantly to nucleation rates and aerosol population during the 3-D simulations in Beijing (>99 % and >60 %, respectively). These results broaden the understanding of NPF in urban atmospheres and stress the necessity of including the effects of coagulation scavenging and cluster stability in simulating SA–DMA nucleation in 3-D simulations. Representing these processes is thus likely to improve model performance in particle source apportionment and quantification of aerosol effects on air quality, human health, and climate.

Li, Yuyang↗
DOE OSTI2021

Transition to Online Cable Insulation Condition Monitoring

Nuclear power plant cables were originally qualified for 40 year life and generally have not required specific test verification to assure service availability through the initial plant qualification period. However, license renewals to 60 and 80 years of operation require a cable aging management program that depends on some form of test and verification to assure fitness for service. Environmental stress (temperature, radiation, chemicals, water, and mechanical) varies dramatically within a nuclear power plant and, in some cases, cables have degraded and required repair or replacement before their qualified end-of-life period. In other cases, cable conditions have been mild and dependable cable performance confirmed to extend well beyond the initial qualified life. Most offline performance-based testing requires cables to be de-coupled and de-energized for specially trained technicians to perform testing. These offline tests constitute an expensive operational burden that limits the economic viability of nuclear power plants. Although initial investment may be higher, new online test practices are emerging as options or complements to offline testing that avoid or minimize the regularly scheduled offline test burden. These online methods include electrical and fiber-optic partial discharge measurement, spread spectrum time or frequency domain reflectometry, distributed temperature profile measurements, and local interdigital capacitance measurement of insulation characteristics. Introduction of these methods must be supported by research to confirm efficacy plus either publicly financed or market driven investment to support the start-up expense of cost-effective instrumentation to monitor cable condition and assure reliable operation. This work summarizes various online cable assessment technologies plus introduces a new cable motor test bed to assess some of these technologies in a controlled test environment.

Glass, Samuel W.↗
DOE OSTI2021

National Virtual Biotechnology Laboratory: Report on Rapid R&D Solutions to the COVID-19 Crisis

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply short ages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. Within months, NVBL teams produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment (PPE), creating nearly 1,000 new jobs. They used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported U.S. Food and Drug Administration (FDA), Centers for Disease Control and Prevention (CDC), and U.S. Department of Defense (DoD) efforts to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. NVBL teams also studied how to control indoor virus movement to minimize uptake and protect human health. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development (R&D) solutions. As the fight against COVID continues, sustained efforts are needed to confront this pandemic as well as future threats. Examples include: 1) Establishing “supply chains on demand” to meet emergency production needs by leveraging the materials and manufacturing expertise of DOE national laboratories and developing advances in electronics, sensing, robotics, and automation capabilities; 2) Improving the speed and robustness of drug discovery by integrating experimental platforms with DOE’s computational and experimental user facilities, which provide unique resources to support the discovery of high-potential therapeutic agents; 3) Protecting public, environmental, and animal health by developing new testing protocols and instrumentation adaptable to diverse sample types (both physiological and environmental) to quickly detect a wide range of pathogens and monitor other biorisks; 4) Supporting near-real-time data needs of decision-makers at the local, regional, state, and national levels by advancing data curation, analysis, and modeling using artificial intelligence and new data science tools for managing and evaluating large diverse datasets; 5) Harnessing DOE’s expertise in environmental modeling to design rooms and air handling for offices, classrooms, restaurants, and other structures to minimize biorisk transmissions. Going forward, NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, the Office of Science will continue to be an integral component of agency wide efforts to prepare for and respond to biorisks and other crises.

42 ENGINEERING↗
DOE OSTI2026

Mechanical Behavior of Neutron Irradiated Refractory Multi-Principal Element Alloys Processed via Spark Plasma Sintering

The search for advanced materials capable of withstanding the extreme conditions of Generation IV reactors is a critical area in materials science research. These reactors operate under severe environments, including high temperatures, corrosion, stress, and irradiation damage. Consequently, there is a need for innovative alloy systems to ensure the reliability and longevity of proposed Generation IV reactor components. Refractory multi-principal-element alloys (RMPEA) have emerged as a promising candidate due to their exceptional properties. These alloys, characterized by their composition of multiple principal elements in near-equiatomic ratios, exhibit superior resistance to irradiation damage, reduced void swelling, enhanced microstructural stability, and minimal irradiation-induced hardening. While initial studies on RMPEAs have shown promising results, most research has been limited to thin films, nanocrystalline microstructures, and ion irradiation, which do not accurately represent the behavior of bulk materials. To address this gap, our research focused on the neutron irradiation of bulk RMPEAs. We aim to conduct comprehensive post-irradiation examinations (PIE) of RMPEAs irradiated at the Advanced Test Reactor at Idaho National Laboratory. The RMPEAs were synthesized using spark plasma sintering (SPS) with mechanically alloyed metallurgical powder. The RMPEA specimens are a MoNbTi alloy system with additions of -Zr, and -ZrV. Furthermore, PIE consisted of mechanical testing and advanced materials characterization. The mechanical testing consisted of sub-sized tensile testing, micro- and nano- indentation. Microstructural characterization included scanning electron microscopy and transmission electron microscopy. Mechanical testing coupled with advanced microscopy techniques provides insight into phase morphology and its effects on the mechanical properties of the RMPEA specimens. The results indicate that both pristine and irradiated RMPEA specimens exhibited brittle behavior during tensile testing, which can be attributed to their heterogeneous microstructure. The SPS manufacturing process did not include any post treatment, which resulted in a heterogeneous microstructure. Energy-dispersive X-ray spectroscopy revealed the presence of intermetallic such as laves phases within the microstructure. Specifically, Ti-rich precipitates were observed in the MoNbTi specimen, while Mo-rich precipitates were found in the MoNbTiZrV specimen. Nano-hardness testing of pristine samples showed that the laves phases exhibited higher hardness values compared to the matrix phase, suggesting that precipitate hardening is likely the dominant hardening mechanism in these specimens. The results from this work will be used to build a finite element model to predict mechanical behavior of future MPEA compositions. Thus, enabling for a streamlined approach to developing novel MPEAs for the nuclear industry.

36 - MATERIALS SCIENCE↗
DOE OSTI2023

Citizen and machine learning-aided high-resolution mapping of urban heat exposure and stress

Abstract Through conversion of land cover to more built-up, impervious surfaces, cities create hotter environments than their surroundings for urban residents, with large differences expected between different parts of the city. Existing measurements of ambient air temperature and heat stress, however, are often insufficient to capture the intra-urban variability in heat exposure. This study provides a replicable method for modeling air temperature, humidity, and moist heat stress over the urban area of Chapel Hill while engaging citizens to collect high-temporal and spatially-resolved air temperature and humidity measurements. We use low-cost, consumer-grade sensors combined with satellite remote sensing data and machine learning to map urban air temperature and relative humidity over various land-cover classes to understand intra-urban spatial variability of ambient heat exposure at a relatively high resolution (10 m). Our findings show that individuals may be exposed to higher levels of air temperature and moist heat stress than weather station data suggest, and that the ambient heat exposure varies according to land cover type, with tree-covered land the coolest and built-up areas the warmest, and time of day, with higher air temperatures observed during the early afternoon. Combining our resulting dataset with sociodemographic data, policymakers and urban planners in Chapel Hill can use data output from this method to identify areas exposed to high temperature and moist heat stress as a first step to design effective mitigation measures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Scaling Sustainable Biochar Research & Commercialization for Agriculture & Conservation: A Summary from a Stakeholder Convening

Biochar is a carbon-rich substance with the potential to increase soil carbon sequestration, reduce greenhouse gas (GHG) emissions and improve soil health. When used as part of soil health management systems, biochar can provide multiple synergistic benefits for the agricultural sector and society, while also supporting the production of renewable, climate-neutral biofuels. Establishing a pyrolysis biochar bioenergy industry (PBBI) is necessary to harness the environmental benefits of biochar. To galvanize the necessary coordination to support a PBBI, the Foundation for Food & Agriculture Research (FFAR), the National Center for Appropriate Technology (NCAT), and American Farmland Trust (AFT) co-hosted a virtual convening event on biochar research and commercialization in March 2022. Participants represented a diverse set of stakeholders, including biochar producers, agricultural producers, and members of nonprofit, industry and government agencies. This whitepaper offers a summary of the convening, as well as insights from subsequent stakeholder engagement. Sustainably sourced, fit-for-purpose biochar can be a powerful tool in the soil health management systems and climate-smart toolbox, with decades of research supporting the soil, environment, production, and climate benefits. However, because biochar represents a range of feedstocks, processes and products, there is a critical need to: • Coordinate efforts to characterize and test the application of biochar types across locations with diverse soil and management conditions • Address research and decision-support gaps • Support the growing industry These objectives can be addressed or advanced through a coordinated strategy. To support establishment of this strategy, the convening participants identified key gaps in implementation and research. The experiences of foresters, ranchers, and farmers already using biochar, some of whom participated in the convening, helped inform priorities. Key gaps include: • Practical, applied on-farm research • Supporting management for agricultural productivity • Maximum benefits for conservation • Decision support • Life Cycle Assessment (LCA) • Quantification of climate mitigation potential Existing research gaps include: • Potential synergies among biochar, soil organic matter, and enhanced rock weathering • Development of new storage reservoirs for biochar in industrial products Convening participants further provided next steps for rapidly developing a PBBI to produce sustainable, fit-for-purpose biochars that increase soil health and mitigate climate change. Participants also stressed the need for actionable, coordinated, large-scale research relevant to commercial production in the next five years. To have a chance to reduce greenhouse gas emissions, we need an array of tools that would aid in mitigation; a coordinated strategy to enable biochar to be an effective tool in the climate-smart toolbox must be created; We cannot wait 50 years.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Annual Herbaceous Plants Exhibit Altered Morphological Traits in Response to Altered Precipitation and Drought Patterns in Semiarid Sandy Grassland, Northern China

The frequency and intensity of extreme precipitation events and severe drought are predicted to increase in semiarid areas due to global climate change. Plant morphological traits can reflect plant responses to a changing environment, such as altered precipitation or drought patterns. In this study, we examined the response of morphological traits of root, stem, leaf and reproduction meristems of annual herbaceous species to altered precipitation and drought patterns in a semiarid sandy grassland. The study involved a control treatment (100% of background precipitation) and the following six altered precipitation treatments: (1) P(+): precipitation increased by 30%, (2) P(++): precipitation increased by 60%, (3) P(-): precipitation decreased by 30%, (4) P(--): precipitation decreased by 60%, (5) drought 1 (D1): 46-day drought from May 1st to June 15th, and (6) drought 2 (D2): 46-day drought from July 1st to August 15th. P(++) significantly increased root length, flower length-to-width ratio, both P(+) and P(++) significantly increased stem length and flower number in the plant growing seasons, while all of them decreased under P(-) and P(--). The annual herbaceous plants marginally increased the number of second-level stem branches and stem diameter in order to better resist the severe drought stress under P(--). P(+) and P(++) increased the root, stem, leaf, and flower dry weight, with the flower dry weight accounting for a larger proportion than the other aboveground parts. Under D2, the plants used the limited water resources more efficiently by increasing the root-to-shoot ratio compared with P(-), P(--) and D1, which reflects biomass allocation to belowground increased. The linear mixed-effects models and redundancy analysis showed that the root-to-shoot ratio and the dry weight of various plant components were significantly affected by morphological traits and altered precipitation magnitude. Our results showed that the herbaceous species have evolved morphological trait responses that allow them to adapt to climate change. Such differences in morphological traits may ultimately affect the growing patterns of annual herbaceous species, enhancing their drought-tolerant capacity in semiarid sandy grassland during the ongoing climate change.

Sun, Shan-Shan↗
DOE OSTI2023

Salinity–induced limits to mangrove canopy height

Aim: Mangrove canopy height is a key metric to assess tidal forests' resilience in the face of climate change. In terrestrial forests, tree height is primarily determined by water availability, plant hydraulic design, and disturbance regime. However, the role of water stress remains elusive in tidal environments, where saturated soils are prevalent, and salinity can substantially affect the soil water potential. Location: Global. Time Period: The canopy height dataset provides a global snapshot of the maximum mangrove height geographical distribution for the year 2000. Climate and environmental variables extend over the period 1970–2018. Major Taxa Studied: Mangroves. Methods: We use global observations of maximum canopy height, species richness, air temperature, and seawater salinity—a proxy of soil water salt concentration—to explore the causal link between salinity and mangrove stature. Results: Our findings suggest that salt stress limits mangrove height. High salinity favours more salt-tolerant species, narrowing the spectrum of viable traits. Highly salt-tolerant mangroves have evolved to cope with high salt concentrations in the soil, but this adaptation comes at a cost. They typically have lower rates of photosynthesis and growth, resulting in reduced productivity and smaller stature compared to more salt-sensitive mangrove species. This suggests a causal link between salinity, biodiversity, and tree height, where high salinity selects for more salt-tolerant species that tend to be less productive and shorter. Conclusions: We hypothesize that the salinity-induced limit to mangrove canopy height is the direct result of a reduction of primary productivity, an increment in the risk of xylem cavitation, and an indirect consequence of the decrease in biodiversity. As sea-level rise enhances coastal salinisation, failure to account for these effects can lead to incorrect estimates of future carbon stocks in Tropical coastal ecosystems and endanger preservation efforts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

First Annual Report on Development of Microwave Resonant Cavity Transducer for Fluid Flow Sensing: Development of Sensor Performance Model of Microwave Cavity Flow Meter for Advanced Reactor High Temperature Fluids

We are investigating a microwave cavity-based transducer for in-core high-temperature fluid flow sensing in molten salt cooled reactors (MSCR) and sodium fast reactors (SFR). This sensor is a hollow metallic cylindrical cavity, which can be fabricated from stainless steel, and as such is expected to be resilient to radiation, high temperature and corrosive environment of MSCR and SFR. The principle of sensing consists of making one wall of the cylindrical cavity flexible enough so that dynamic pressure, which is proportional to fluid velocity, will cause membrane deflection. Membrane deflection causes cavity volume change, which leads to a shift in the resonant frequency. Feasibility of the sensor was initially investigated with analytical derivations and with COMSOL RF Module computer simulations of resonant frequency spectral shift due to uniform load. We also investigated the mechanical integrity of the flowmeter’s membrane through analytical modelling and COMSOL Structural Mechanics Module computer simulations. Both the analytic model and COMSOL model showed that maximum stresses on the plate, which are at the radial boundary of the plate, are three orders of magnitude smaller than the material’s yield strength and ultimate tensile strength. This indicates that the sensor is at a low risk of mechanical failure. Using results from models, we have developed an initial design for a microwave K-band sensor. A cylindrical resonator prototype was fabricated from brass for the initial tests. The external dimensions of the cavity are matched to the flange of a standard WR-42 waveguide. Microwave field is coupled into the resonant cavity through a subwavelength-size aperture. A test article was developed consisting of a piping Tee with a bulkhead WR-42 microwave waveguide installed in a leak-proof assembly. A microwave waveguide circulator was installed in the setup to suppress the effect of reflections at the cavity entrance by increasing the isolation between the input and the output port. Preliminary spectral characterization of cavity spectral response was performed with a portable PXIe chassis microwave VNA with a custom GUI. Preliminary dry tests of the transducer response were conducted with a set of calibrated weights. Transducer frequency shift was shown to be monotonically increasing with increasing pressure. The next steps will involve investigation of the transducer performance for water flow sensing.

42 ENGINEERING↗
DOE OSTI2025

Mitigate Stress Corrosion Cracking (SCC) in High-strength Al Castings (CRADA 508)

Development of high strength, corrosion resistant, aluminum alloys is important to a number of industries, including automotive, aerospace, power, etc. Understanding how processing methods such as casting, chemistry, additives and recycle content affect an alloy’s microstructure and performance in real world environments is crucial to their implementation. One major concern is how the repeated exposure to saline solutions can be detrimental to the structural integrity of aluminum alloy components. This study was undertaken as a collaboration between Eck Industries and PNNL to investigate the stress corrosion cracking (SCC) and corrosion behavior of aluminum alloys. This work examines the SCC response of three different materials set. First is cast A206 Al alloy produced by three different casting techniques (i.e., permanent mold, and sand casting with and without chill) and with or without nano forming additives as potential grain refiners. The second materials set comprises Al alloy tubes extruded by PNNL’s ShAPE process and produced using raw material with three different ratios of twitch and pre-consumer Al 6061 scrap. Finally, the third materials set comprises two Al-Si-Mg-Fe alloys with controlled Si% and Fe% to mimic recycle grade Al alloys. The corrosion behavior of these materials was characterized using SCC testing and scanning electrochemical cell microscopy (SECCM) technique; mechanical behavior was characterized using tensile testing, and microstructure was characterized using optical and electron microscopy techniques. Of the A206 Al alloys, the samples with nano forming additives performed poorly compared to those without. The best SCC performance (i.e. least degradation in mechanical properties) was demonstrated by A206 alloy sand cast with chill while the permanent mold sample showed the worst SCC performance. The SECCM was performed on A206 alloy sand cast with chill to understand the effect of microstructure and determine the location-dependent corrosion properties on grain boundaries (GB) and inside grains (IG) on the sample. The corrosion potential and current measured on GB and IG at various points on the sample established that the GB locations are more cathodic and corrosive than the IG locations. Further work needs to be conducted to investigate the mechanisms behind the observed dependence of SCC on casting technique and nano forming additives. Among the ShAPE extruded tubes, SECCM data suggests the decreasing order of tendency to corrode as follows: 100% twitch > 75% twitch > 50% twitch. Finally, both variants of the Al-Si-Mg-Fe alloys showed a large volume fraction of Fe- and Si-containing intermetallics and additional work is needed to discern differences in their respective corrosion responses. In summary, correlating local electrochemical behavior (e.g. via SECCM) with micro/nanostructure, in conjunction with bulk mechanical behavior, can help identify the right fabrication method and alloy chemistry to minimize SCC issues in Al alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

U.S. Department of Energy: National Virtual Biotechnology Laboratory (Technical Report)

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. The NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply shortages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. As part of the NVBL framework, DOE rapidly assembled five project teams to (1) identify new targets for medical therapeutics; (2) develop innovations in testing capabilities; (3) provide epidemiological and logistical support; (4) understand viral fate and transport in the environment; and (5) address supply chain bottlenecks by harnessing extensive additive manufacturing capabilities. Each research team was charged with defining high-impact projects that could be completed in a 6-month sprint while coordinating their developments with academia, other government agencies, and the private sector. Within months, NVBL teams used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported efforts by the U.S. Food and Drug Administration, Centers for Disease Control and Prevention, and U.S. Department of Defense to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. To minimize virus uptake and protect human health, NVBL teams studied how to control indoor virus movement. Researchers also produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment, creating nearly 1,000 new jobs. Through its NVBL framework, DOE has contributed significantly to the nation’s COVID response, demonstrating in only a few months the critical impact of its national laboratories. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development solutions. Going forward, the NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, DOE will continue to be an integral component of agency-wide efforts to prepare for and respond to biorisks and other crises. This technical report describes the goals, progress, and results of NVBL’s five project teams—Molecular Design for COVID-19 Therapeutics, COVID-19 Testing, Epidemiological Modeling, Viral Fate and Transport, and Materials and Manufacturing of Critical Supplies—and lists each team’s publications and research output.

42 ENGINEERING↗
DOE OSTI2025

Time‐series multi‐omics analysis of micronutrient stress in Sorghum bicolor reveals iron and zinc crosstalk and regulatory network conservation

Micronutrient stress impacts growth, biomass production, and grain yield in crops. Multi-omics studies are valuable resources in identifying genes for functional studies and trait improvement, such as accumulation of Fe or Zn under deficient or excess conditions for bioenergy or grain agriculture. We conducted transcriptomics and ionomics analyses on Sorghum bicolor BTx623, grown under Fe and Zn limited and excess conditions over a 21-day period. To identify early and late transcriptional response in roots and leaves, 180 RNAseq libraries were sequenced for differential expression and co-expression network analyses. Fe and Zn accumulation was measured using ICP-MS at each time point, and a fluorometer was used to estimate chlorophyll content in leaves. Among the four treatments, Fe limitation and Zn excess resulted in the largest phenotypic effects and transcriptional response in roots and leaves. Several of the reduction (Strategy I) and chelation (Strategy II) strategy genes that improve bioavailability of Fe and Zn in plant roots often used by non-grass and grass species, respectively, were differentially expressed. Gene regulatory network (GRN) analysis of roots revealed enrichment of genes from Fe limiting and Zn excess which strongly connect to homologues of SbFIT, SbPYE, and SbBTS as hub genes. The GRN for leaf responses showed homologues of SbPYE and SbBTS as hubs connecting genes for chloroplast biosynthesis, Fe-S cluster assembly, photosynthesis, and ROS scavenging. Expression analyses suggest sorghum uses Strategy II genes for Fe and Zn uptake, as expected, but can also utilize Strategy I genes, which may be advantageous in variable moisture environments. We found strong overlap between Fe and Zn responsive GRNs, indicative of micronutrient crosstalk. We also found conservation of root and leaf GRNs, and known homologous genes suggest strong constraints on homeostasis networks in plants. These data will provide a resource for functional genetics to enhance micronutrient transport in sorghum, and opportunities to conduct further comparative GRN analysis across diverse crops species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Accessibility and Mechanical Stability of Nanoporous Zinc Oxide and Aluminum Oxide Coatings Synthesized via Infiltration of Polymer Templates

The conformal nanoporous inorganic coatings with accessible pores that are stable under applied thermal and mechanical stresses represent an important class of materials used in the design of sensors, optical coatings, and biomedical systems. Here, we synthesize porous AlO x and ZnO coatings by the sequential infiltration synthesis (SIS) of two types of polymers that enable the design of porous conformal coatings—polymers of intrinsic microporosity (PIM) and block co-polymer (BCP) templates. Using quartz crystal microbalance (QCM), we show that alumina precursors infiltrate both polymer templates four times more efficiently than zinc oxide precursors. Using the quartz crystal microbalance (QCM) technique, we provide a comprehensive study on the room temperature accessibility to water and ethanol of pores in block copolymers (BCPs) and porous polymer templates using polystyrene-block-poly-4-vinyl pyridine (PS75-b-P4VP25) and polymers of intrinsic microporosity (PIM-1), polymer templates modified by swelling, and porous inorganic coatings such as AlO x and ZnO synthesized by SIS using such templates. Importantly, we demonstrate that no structural damage occurs in inorganic nanoporous AlO x and ZnO coatings synthesized via infiltration of the polymer templates during the water freezing/melting cycling tests, suggesting excellent mechanical stability of the coatings, even though the hardness of the inorganic nanoporous coating is affected by the polymer and precursor selections. We show that the hardness of the coatings is further improved by their annealing at 900 °C for 1 h, though for all the cases except ZnO obtained using the BCP template, this annealing has a negligible effect on the porosity of the material, as is confirmed by the consistency in the optical characteristics. These findings unravel new potential for the materials being used across various environment and temperature conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of thermal aging on microstructure and crack growth response of Alloy 152 weld

Nickel-based Alloy 690 and the associated weld Alloys 52 and 152 are typically used for nozzle penetrations in replacement heads for pressurized water reactor (PWR) vessels, because of their excellent overall resistance to general corrosion and environmental degradation, primarily stress corrosion cracking (SCC). However, many of the existing PWRs are expected to operate for 40-80 years. Likewise, advanced water-cooled small modular reactors (SMRs) will use Ni-Cr alloys and are expected to receive initial operating licenses for 60 years. Hence, the thermal stability of Ni-Cr alloys is a potential concern for the long-term performance of both existing and advanced nuclear power plants, and possibly spent fuel storage containers. The objective of this research is to understand the microstructural changes occurring in high-Cr, Ni-based Alloy 152 weldments during long time exposure to the reactor operating temperatures, and the effect of these changes on the service performance. One area of particular concern is the potential for long range ordering (LRO), i.e. formation of the intermetallic Ni2Cr phase under prolonged exposure to reactor temperatures and/or irradiation, which can increase strength, decrease ductility, and cause dimensional changes or lead to in-service embrittlement of components made with these alloys. Hence, this research focused on the microstructural evolution and the SCC response of Alloy 152 under accelerated thermal aging. The materials studied involved three heats of Alloy 152 used to produce a dissimilar metal weld (DMW) joining an Alloy 690 plate to an Alloy 533 low alloy steel (LAS) plate, thermally aged at three different temperatures (370°C, 400°C and 450°C) for up to 75,000h (equivalent to 60 years of service). The microstructural characterization by means of synchrotron X-ray did not find evidence of LRO in any of the three heats aged to an equivalent of 60 years of service. Testing in a primary water environment of a heat of Alloy 152 aged at 370°C to a 60-year service equivalent revealed a fatigue and corrosion fatigue crack growth responses similar to those measured on the un-aged alloy. However, the SCC CGR response of the aged sample appears to show a deterioration in performance.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Independent and interactive effects of wet bulb globe temperature and air pollution exposures on suicide mortality

Background: Individual components of the ambient environment, such as temperature and air pollution, exist as part of a complex mixture and have been associated with suicide; however, their interactive effects remain poorly understood. This study examined the independent and interactive effects of wet bulb globe temperature (WBGT), nitrogen dioxide (NO 2 ), and fine particulate matter (PM 2.5 ) on suicide mortality. Methods: We identified 7,551 suicide cases in Utah, USA, from 2000 to 2016 and assigned exposure to daily maximum WBGT (sourced from the European Center for Medium-Range Weather Forecasts) and PM 2.5 and NO 2 concentrations (sourced from a national spatiotemporal ensemble model) using decedent’s residential address at the time of death. A case-crossover design with conditional logistic regression was used to estimate the independent and interactive effects of WBGT max , PM 2.5 , and NO 2 on suicide. For exposure windows, we considered single days preceding suicide (lag 0 to 6) and their averages across preceding days (lag 0–1, 0–3, and 0–6). Analyses were stratified by season. Results: We identified a significant association between WBGT max and suicide across all seasons (odds ratio [OR] = 1.05, 95% confidence interval [CI]: 1.01, 1.10; per 5 °C increase on lag 0–3 days). The associations were stronger in the warm season (March 22 to September 21), with ORs and 95% CIs ranging from 1.08 (1.02, 1.15) to 1.20 (1.10, 1.30) per 5 °C increase depending on the lag periods. We observed synergistic interactions between WBGT max and PM 2.5 and NO 2 in the warm season, associated with higher odds of suicide. The associations of WBGT max with suicide were most pronounced at high NO 2 levels. Conclusions: We found evidence of synergistic interactions between WBGT max and PM 2.5 and NO 2 on suicide in the warm season, emphasizing the need for considering the combined effects of heat stress and air pollution in suicide prevention strategies.

Fine particulate matter↗