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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Performance of Structural Alloys in Bio-oil Production, Upgrading, and Storage Systems

Selection of corrosion-resistant, cost-effective structural materials for the process and containment vessels required for the production, upgrading, and storage of biomass-derived oils has been the subject of study in our laboratory for many years. The wide variety of biomass resources and the many liquefaction techniques and processing conditions result in products with a broad range of properties and compositions. Here, this paper will address the materials issues in three distinct areas. In production, materials are exposed to temperatures that range from 350 to 550 °C depending upon the process. Generally, austenitic stainless steels have performed reasonably well, although thicker oxide scales and intergranular attack have sometimes been observed. For storage and transport of the bio-oil products, temperatures experienced by the containment materials are not expected to exceed 50 °C. Our studies have shown that most raw bio-oils contain significant concentrations of organic acids, and low-molecular-weight organic acids were quite corrosive to carbon and low alloy steels. For some applications, subsequent processing is required, which includes hydrotreating or co-processing with a petroleum-derived liquid. These processes utilize a catalyst that requires periodic retreatment with a sulfidizing gas, and the exposure to this gas at elevated temperatures can cause appreciable corrosion to the more common austenitic stainless steels. The materials considered most cost-effective and sufficiently corrosion-resistant for each of these environments were identified.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Strong, Nonresonant Radiation Enhances Cis–Trans Photoisomerization of Stilbene in Solution

Previously, it has been demonstrated that external electric fields may be used to exert control over chemical reactivity. In this paper, the impact of a strong, nonresonant IR field (1064 nm) on the photoisomerization of cis-stilbene is investigated in cyclohexane solution. The design of a suitable reaction vessel for characterization of this effect is presented. The electric field supplied by the pulsed, near-IR radiation (ε 1 = 4.5 × 10 7 V/cm) enhances the cis → trans photoisomerization yield at the red edge of the absorption spectrum (wavelengths between 337 and 340 nm). Within the microliter focal volume, up to 75% of all cis-stilbene molecules undergo isomerization to trans-stilbene in the strong electric-field environment, indicating a significant increase relative to the 35% yield of trans-stilbene under field-free conditions. This result correlates with a 1–3% enhancement in the trans-stilbene concentration throughout the bulk solution. Theoretical analysis suggests that the observed change is the result of dynamic Stark shifting of the ground and first excited states, leading to a significant redshift in cis-stilbene’s absorption spectrum. The predicted increase in the absorption cross section in this range of excitation wavelengths is qualitatively consistent with the experimental increase in trans-stilbene production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

One Pot Synthesis of Cyan Emitting CdZnSSe Quantum Dots for Human Centric Lighting

A one pot synthesis of blue and green emissive CdZnSSe quantum dots (QDs) from thio- and selenoureas and Cd and Zn carboxylates is optimized using high throughput robotic optimization. A large set of spectral data (N = 192) is used to train machine learning models that accurately predict the photoluminescence emission wavelength (λmax) and full-width half-maximum, and the relative photoluminescence quantum yield (PLQY) from the S:Se and Zn:Cd stoichiometries and reaction time. ZnS shells are deposited on the crude QD heterostructures using 4-tert-butylbenzyl mercaptan, a more reactive source of sulfide that enables shell growth below the temperature where ion diffusion in the QD can broaden its optical spectrum (≤275 °C). These optimized procedures provide gram quantities of blue-green emitting QDs (PLQY = 85–99%) in a single reaction vessel. A solid state lighting device (4260 K) that incorporates cyan emissive QDs achieved a higher luminous efficacy of 179 lm/W and melanopic daylight efficiency ratio (0.71) than existing commercial human centric lighting devices.

Jordan, Abraham J↗
DOE OSTI2022

Targeting One- and Two-Dimensional Ta–Te Structures via Nanotube Encapsulation

Fine control over material synthesis on the nanoscale can facilitate the stabilization of competing crystalline structures. In this report we demonstrate how carbon nanotube reaction vessels can be used to selectively create one-dimensional TaTe 3 chains or two-dimensional TaTe 2 nanoribbons with exquisite control of the chain number or nanoribbon thickness and width. Transmission electron microscopy and scanning transmission electron microscopy reveal the detailed atomic structure of the encapsulated materials. Complex superstructures such as multichain spiraling and apparent multilayer moirés are observed. The rare 2H phase of TaTe 2 (1H in monolayer) is found to be abundant as an encapsulated nanoribbon inside carbon nanotubes. The experimental results are complemented by density functional theory calculations for the atomic and electronic structure, which uncovers the prevalence of 2H-TaTe 2 due to nanotube-to-nanoribbon charge transfer and size confinement. Calculations also reveal new 1T' type charge density wave phases in TaTe 2 that could be observed in experimental studies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Reactive Modified Epoxy Resin and Its Miscible Blends Based on Recycled Oligomers from Solvolysis

Chemical depolymerization of fully cured epoxy resin with 20% reactive modifier was successfully performed via a solvent-assisted solvolysis process into low molecular weight recyclable oligomers (RO) at 240 °C in a pressure vessel at 650 psi for 4 h. The thermoset epoxy resin was depolymerized into transparent brown viscous fluid with a higher viscosity than the uncured epoxy resin with approximately 93% yield. Different concentrations of the RO were homogeneously mixed with the pure epoxy resin, and their curing kinetics, viscosity, FTIR, mechanical properties, DMA, and cross-link density were investigated. The curing kinetics of the pure reactive modified epoxy resin (baseline) and its mixtures with RO of different concentrations were investigated under both isothermal and nonisothermal conditions using small amplitude oscillatory shear flow. The elastic and viscous moduli (G′ and G″), complex viscosity (η*), and tan δ values were evaluated at different curing times and temperatures. The G′, G″, and η* increased dramatically, while tan δ decreased strongly by several orders of magnitude at the gel point. The zero-shear viscosity (η 0 ) was determined from the angular frequency dependent on η* based on the Cross model for different blend compositions in the liquid state before curing. The composition dependence of η 0 showed a positive deviation from the linear mixing rule and was well described by the Lecyar model. Here, the apparent activation energy of curing (E a ) was also evaluated according to the Arrhenius equation and was found to be 46 ± 2 kJ/mol regardless of the different contents of RO. For all blends up to 40 wt % RO, only one tan δ peak systematically shifting to lower temperatures with increasing content of RO was observed in the DMA measurements, indicating that the epoxy resin and the RO are miscible with up to 40 wt % RO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Cast Film Production with Polyethylene Recycled from a Post-Industrial Printed Multilayer Film by Solvent-Targeted Recovery and Precipitation

The solvent-targeted recovery and precipitation (STRAP) process separates and recovers the constituent resins in multilayer plastic packaging films by selective polymer dissolution. In this work, three different experimental methods were considered to recover a polyethylene (PE) resin from a printed multilayer film by STRAP. The methods consisted of (1) a filter bag system, (2) a Soxhlet extraction, and (3) a jacketed dissolution vessel. Cast films were produced with the PE recovered from each method and were analyzed for color, mechanical properties, and number of impurities. High-quality recycled PE cast films can be produced by increasing the solvent to plastic ratio, including a filter pore size of 100 μm, and optimizing temperature control in STRAP. Furthermore, this study demonstrates that STRAP polymers can be recycled back into plastic films, enabling the potential circularity of these packaging materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

An In Situ , Automated High-Explosives Aging Method Utilizing Two-Dimensional Gas Chromatography–Mass Spectrometry

Understanding chemical changes that occur in high explosives as they age is of great importance to the safe employment and storage of these compounds. Traditional methods of aging high explosives even under accelerated aging conditions are time intensive with durations on the order of months to years. The nature of traditional aging analyses reduces each sample to a snapshot data point often separated widely in time, requiring many assumptions as to how the degradation products develop. Further complicating matters, several analytical techniques are typically employed for each sample analysis in order to ascertain an entire picture of the decomposition pathways. To address these shortcomings with existing methods, a new method of accelerated aging of high explosives utilizing comprehensive two-dimensional gas chromatography coupled to high-resolution mass spectrometry (GC × GC-HRMS) was developed using 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) as a model compound for method development. This in situ automated method reduces the time scale of aging to a matter of hours using the inlet of the GC × GC as the aging vessel. GC × GC in combination with HRMS allowed for the collection of both evolved gases and other decomposition products produced during the entire aging process in real time with HRMS providing far greater certainty in identification of explosives aging products. Additionally, this method allowed for a higher throughput of samples with greatly simplified sample preparation. Chemometric analysis of the GC × GC-HRMS data set via the alteration analysis (ALA) enabled discovery of statistically significant chemical changes providing insight into the variation of decomposition pathways with varying aging temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Chemical Kinetic Method for Active-Site Quantification in Fe-N-C Catalysts and Correlation with Molecular Probe and Spectroscopic Site-Counting Methods

Mononuclear Fe ions ligated by nitrogen (FeN x ) dispersed on nitrogen-doped carbon (Fe-N-C) serve as active centers for electrocatalytic O 2 reduction and thermocatalytic aerobic oxidations. Despite their promise as replacements for precious metals in a variety of practical applications, such as fuel cells, the discovery of new Fe-N-C catalysts has relied primarily on empirical approaches. In this context, the development of quantitative structure–reactivity relationships and benchmarking of catalysts prepared by different synthetic routes and by different laboratories would be facilitated by the broader adoption of methods to quantify atomically dispersed FeN x active centers. In the present study, we develop a kinetic probe reaction method that uses the aerobic oxidation of a model hydroquinone substrate to quantify the density of FeN x centers in Fe- N-C catalysts. The kinetic method is compared with low-temperature Mössbauer spectroscopy, CO pulse chemisorption, and electrochemical reductive stripping of NO derived from NO 2 – on a suite of Fe-N-C catalysts prepared by diverse routes and featuring either the exclusive presence of Fe as FeN x sites or the coexistence of aggregated Fe species in addition to FeN x . The FeN x site densities derived from the kinetic method correlate well with those obtained from CO pulse chemisorption and Mössbauer spectroscopy. The broad survey of Fe-N-C materials also reveals the presence of outliers and challenges associated with each site quantification approach. Furthermore, the kinetic method developed here does not require pretreatments that may alter active-site distributions nor specialized equipment beyond reaction vessels and analytical instrumentation (e.g., NMR).

36 MATERIALS SCIENCE↗
DOE OSTI2020

Clouds and Radiation Processes in Regional Climate Models Evaluated Using Observations Over the Ice‐free Arctic Ocean

Abstract The presence of clouds in the Arctic regulates the surface energy budget (SEB) over the sea‐ice surface and the ice‐free ocean. Following several previous field campaigns, the cloud‐radiation relationship, including cloud vertical structure and phase, has been elucidated; however, modeling of this relationship has matured slowly. In recognition of the recent decline in the Arctic sea‐ice extent, representation of the cloud system in numerical models should consider the effects of areas covered by sea ice and ice‐free areas. Using an in situ stationary meteorological observation data set obtained over the ice‐free Arctic Ocean by the Japanese Research Vessel Mirai (September 2014), coordinated evaluation of six regional climate models (RCMs) with nine model runs was performed by focusing on clouds and the SEB. The most remarkable findings were as follows: (1) reduced occurrence of unstable stratification with low‐level cloud water in all models in comparison to the observations, (2) significant differences in cloud water representations between single‐ and double‐moment cloud schemes, (3) extensive differences in partitioning of hydrometeors including solid/liquid precipitation, and (4) pronounced lower‐tropospheric air temperature biases. These issues are considered as the main sources of SEB uncertainty over ice‐free areas of the Arctic Ocean. The results from a coupled RCM imply that the SEB is constrained by both the atmosphere and the ocean (and sea ice) with considerable feedback. Coordinated improvement of both stand‐alone atmospheric and coupled RCMs would promote a more comprehensive and improved understanding of the Arctic air‐ice‐sea coupled system.

Inoue, Jun↗
DOE OSTI2023

Observations of Offshore Internal Boundary Layers

The growth of the marine internal boundary layer (MIBL, height h i ) with the shore-normal distance x, is a topic of continuing interest because of its applications in coastal dispersion, offshore wind farm siting, coastal air-sea fluxes and in evaporative ducting. Available data on MIBL are only scarce, given its difficult to measure the variability of coastal winds. During Coupled Air-Sea Processes and Electromagnetic Research (CASPER) campaigns an array of instrumentation was deployed to measure offshore spatial variability and its effect on electromagnetic wave propagation. Meteorological sensors (flux towers and remote sensing) were deployed along the coast of Point Mugu, California, on a research vessel and FLoating Instrument Platform (FLIP) provided surface layer and boundary layer observations. In this article, measurements from multiple remote sensing instruments, such as synchronized triple Doppler lidars, small boat operations with tethered lifting system, and radiosondes provide a holistic view of the MIBL growth and its spatial variability from the coast. A convective and stable MIBL observed during two intensive operating period days showed distinct growth characteristics off the coast of Point-Mugu. During stable stratified atmospheric conditions, an MIBL was observed at least up to 47 km from the coast. The growth of the MIBL within the nearshore adjustment zone was influenced by surrounding atmospheric, oceanographic, and topographic conditions. A new parameterization scheme is developed based on advection-diffusion balance equations accounting for upstream turbulence and compared with h i observations from Doppler lidar and profiles from small boat. An evaluation of existing IBL theories was also conducted.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Interactions Between Lightning and Ship Traffic

It is important to understand connections between society and the natural environment for anticipating hazards and anthropogenic effects on the Earth system. In this study, we conduct a detailed exploration of interactions between oceanic thunderstorms and maritime traffic. Shipping traffic produces aerosols that perturb the otherwise “clean” ocean environment. Prior work proposed these aerosol effects as the cause of increased lightning over certain shipping lanes. However, introducing tall grounded objects into a high electric field environment might also facilitate lightning discharges, as we see with upward lightning over land. We consider both possibilities. Our analyses of the thunderstorms responsible for enhanced lightning activity over the shipping lane with the clearest anthropogenic signal indicate that the enhancement results from an increased frequency of lightning-producing storms. Observed variations in thunderstorm microphysics between the shipping lane and nearby oceans are small compared to natural factors such as the Indian monsoon, and are on the same scale as the local variability in the data. By contrast, matching lightning stroke data with ship transponder events in oceanic regions where public data are available reveals a strong signal from direct ship interactions. Lightning is 15× (66×) more likely to occur at a ship location compared to 2 km (25 km) away. These results highlight the central role of direct ship interactions in explaining lightning enhancements over shipping lanes. We also document the frequency of these direct lightning interactions across various categories of vessels and on individual ships present in the public data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The Association Between Cloud Droplet Number over the Summer Southern Ocean and Air Mass History

The cloud properties and governing processes in Southern Ocean marine boundary layer clouds have emerged as a central issue in understanding the Earth's climate sensitivity. While our understanding of Southern Ocean cloud feedbacks have evolved in the most recent climate model intercomparison, the background properties of simulated summertime clouds in the Southern Ocean are not consistent with measurements due to known biases in simulating cloud condensation nuclei concentrations. This paper presents several case studies collected during the Capricorn 2 and Marcus campaigns held aboard Australian research vessels in the Austral Summer of 2018. Combining the surface–observed cases with MODIS data along forward and backward air mass trajectories, we demonstrate the evolution of cloud properties with time. These cases are consistent with multi–year statistics showing that long trajectories of air masses over the Antarctic ice sheet are critical to creating high droplet number clouds in the high latitude summer Southern Ocean. We speculate that secondary aerosol production via the oxidation of biogenically derived aerosol precursor gasses over the high actinic flux region of the high latitude ice sheets is fundamental to maintaining relatively high droplet numbers in Southern Ocean clouds during Summer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

All-day fresh water harvesting by microstructured hydrogel membranes

Abstract Solar steam water purification and fog collection are two independent processes that could enable abundant fresh water generation. We developed a hydrogel membrane that contains hierarchical three-dimensional microstructures with high surface area that combines both functions and serves as an all-day fresh water harvester. At night, the hydrogel membrane efficiently captures fog droplets and directionally transports them to a storage vessel. During the daytime, it acts as an interfacial solar steam generator and achieves a high evaporation rate of 3.64 kg m −2 h −1 under 1 sun enabled by improved thermal/vapor flow management. With a homemade rooftop water harvesting system, this hydrogel membrane can produce fresh water with a daily yield of ~34 L m −2 in an outdoor test, which demonstrates its potential for global water scarcity relief.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A microphysiological model of human trophoblast invasion during implantation

Abstract Successful establishment of pregnancy requires adhesion of an embryo to the endometrium and subsequent invasion into the maternal tissue. Abnormalities in this critical process of implantation and placentation lead to many pregnancy complications. Here we present a microenigneered system to model a complex sequence of orchestrated multicellular events that plays an essential role in early pregnancy. Our implantation-on-a-chip is capable of reconstructing the three-dimensional structural organization of the maternal-fetal interface to model the invasion of specialized fetal extravillous trophoblasts into the maternal uterus. Using primary human cells isolated from clinical specimens, we demonstrate in vivo-like directional migration of extravillous trophoblasts towards a microengineered maternal vessel and their interactions with the endothelium necessary for vascular remodeling. Through parametric variation of the cellular microenvironment and proteomic analysis of microengineered tissues, we show the important role of decidualized stromal cells as a regulator of extravillous trophoblast migration. Furthermore, our study reveals previously unknown effects of pre-implantation maternal immune cells on extravillous trophoblast invasion. This work represents a significant advance in our ability to model early human pregnancy, and may enable the development of advanced in vitro platforms for basic and clinical research of human reproduction.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Widespread detection of chlorine oxyacids in the Arctic atmosphere

Chlorine radicals are strong atmospheric oxidants known to play an important role in the depletion of surface ozone and the degradation of methane in the Arctic troposphere. Initial oxidation processes of chlorine produce chlorine oxides, and it has been speculated that the final oxidation steps lead to the formation of chloric (HClO 3 ) and perchloric (HClO 4 ) acids, although these two species have not been detected in the atmosphere. Here, we present atmospheric observations of gas-phase HClO 3 and HClO 4 . Significant levels of HClO 3 were observed during springtime at Greenland (Villum Research Station), Ny-Ålesund research station and over the central Arctic Ocean, on-board research vessel Polarstern during the Multidisciplinary drifting Observatory for the Study of the Arctic Climate (MOSAiC) campaign, with estimated concentrations up to 7 × 10 6 molecule cm -3 . The increase in HClO 3 , concomitantly with that in HClO 4 , was linked to the increase in bromine levels. These observations indicated that bromine chemistry enhances the formation of OClO, which is subsequently oxidized into HClO 3 and HClO 4 by hydroxyl radicals. HClO 3 and HClO 4 are not photoactive and therefore their loss through heterogeneous uptake on aerosol and snow surfaces can function as a previously missing atmospheric sink for reactive chlorine, thereby reducing the chlorine-driven oxidation capacity in the Arctic boundary layer. Our study reveals additional chlorine species in the atmosphere, providing further insights into atmospheric chlorine cycling in the polar environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Structural determinants for pH-dependent activation of a plant metacaspase

Arabidopsis thaliana metacaspase 9 (AtMC9) plays roles in clearing dead cells, forming xylem vessels, and regulating immunity and programmed cell death in plants. The protease's activation is controlled by pH levels, but the exact structural mechanism behind this has not been elucidated. In this work, high-resolution crystal structures for AtMC9 at active (pH 5.5 and pH 4.2) and inactive (pH 7.5) conditions are reported. The three structures are similar except for local conformations where their hydrogen bonding interactions with solvents are mediated through the protonation of specific titratable amino acid residues' side chains. By combining structural analysis, molecular dynamics simulations under constant pHs, and biochemical assays coupled with site-directed mutagenesis, we show that the regulation of AtMC9 activation involves multiple titratable glutamate and histidine residues across the three domains of p20, linker, and p10. Specifically, deprotonated Glu112, His193, and His208 can suppress AtMC9 proteolytic activity, while protonation of Glu255 and His307 at acidic pH may promote it. This study provides valuable insights into the pH-dependent activation of AtMC9 and could potentially lead to improving crops with enhanced immunity and controlled cell death, ultimately increasing agricultural productivity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Single nucleotide variants drive evolutionary phage-host arms race in anaerobic carbon dioxide-converting microbiome

Microbial bioconversions are shaped by environmental perturbations and the adaptation of resident microbiomes. Prokaryotes coexist with bacteriophages, yet their coevolutionary trajectories remain underexplored. Here, we investigate the effects of a cultivation vessel leak on an anaerobic consortium performing carbon dioxide reduction. Using time-series shotgun metagenomic sequencing, we reconstruct microbial and viral genomes to track community shifts. We further apply single-nucleotide variant profiling and CRISPR array analysis to monitor viral microdiversity and host defense mechanisms. After bioaugmentation restores bioconversion efficiency, the consortium undergoes pronounced restructuring, with new dominant taxa emerging from the rare biosphere. We identify patterns consistent with phage predation selectively removing certain species, while others exhibit resilience to infection. This shift aligns with a widespread viral outbreak and a transient increased frequency of single nucleotide variants in bacterial CRISPR–Cas defense genes. Expansion of CRISPR spacers further supports that CRISPR-mediated processes influence microbial resilience. Concurrently, phages infecting resilient hosts exhibited adaptive evolution, marked by high genetic heterogeneity. Selective pressure varies across their genomes, targeting infectivity genes and protospacer-adjacent motifs. These findings highlight a dynamic evolutionary arms race driven by the selection of beneficial genetic variants, providing a mechanistic framework for multi-omics investigations, and informing biotechnological applications, including phage-based microbiome manipulation.

Ghiotto, G↗
DOE OSTI2023

One dislocation at a time

The direct observation of enhanced dislocation mobility in iron by in situ electron microscopy offers key insights and adds to the ongoing debate on the mechanisms of hydrogen embrittlement. The tiniest atom in nature, hydrogen, is pervasive and sneaky. When hydrogen atoms, either from gas or liquid sources, come into contact with a metal, they rush into the solid and squeeze through the narrow spaces between the host atoms. Being chemically active, atomic hydrogen can potentially bind to either host or impurity atoms, forming hydrides and thus changing a material’s properties. Metals, which are well known and widely used in industry for their strength and ductility, can become dangerously brittle when exposed to hydrogen. Furthermore, this phenomenon is known as hydrogen embrittlement and can lead to catastrophic failure of a load-bearing part. For example, the hydrogen produced when water molecules break apart in coolants in a nuclear reactor can cause sudden failure of the pressure vessel. In another example, although blending hydrogen in natural-gas pipelines provides a promising pathway to transition into the hydrogen economy, it could lower the fatigue resistance of the pipeline steel, making it more susceptible to crack growth due to cyclic loading induced by pressure fluctuations in the pipeline. Remarkably, perhaps as a result of a multitude of recognized failure mechanisms in which hydrogen can potentially participate, it still remains unknown exactly why hydrogen makes a metal brittle. Now, writing in Nature Materials, Longchao Huang and colleagues present unambiguous experimental observations of hydrogen-enhanced dislocation mobility in iron, offering key insights into the hydrogen embrittlement mechanisms.

36 MATERIALS SCIENCE↗