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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Green’s functions on a renormalized lattice: An improved method for the integer quantum Hall transition

Highlights: • Speed up of numerical calculations by exact renormalization group steps. • Practical approach to handle delicate scaling analysis. • Absence of evidence to prefer marginal corrections over power-law corrections. We introduce a performance-optimized method to simulate localization problems on bipartite tight-binding lattices. It combines an exact renormalization group step to reduce the sparseness of the original problem with the recursive Green’s function method. We apply this framework to investigate the critical behavior of the integer quantum Hall transition of a tight-binding Hamiltonian defined on a simple square lattice. In addition, we employ an improved scaling analysis that includes two irrelevant exponents to characterize the shift of the critical energy as well as the corrections to the dimensionless Lyapunov exponent. We compare our findings with the results of a conventional implementation of the recursive Green’s function method, and we put them into broader perspective in view of recent development in this field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Genetically pliable green algae for bioproduction of modified fatty acids, nutritional therapeutic oils, and biopharmaceuticals

Homologous recombination (HR) is an essential tool for complex metabolic engineering in yeast, but transgene integration into plant and green algal nuclear genomes predominantly occurs by non-homologous end-joining. Species of the closely related, oleaginous trebouxiophytes Auxenochlorella and Prototheca, are unusual among the green algae in that HR is the favored mechanism for DNA integration into the nuclear genome. This property enables locus-specific targeting of gene cassettes encoding multiple enzymes for manipulating existing biochemical pathways or introducing new functions. Genetic malleability, and regulatory approval for human consumption, coupled with robust fermentation performance at industrial scale, establishes Auxenochlorella and Prototheca as prime candidates for algal production of biochemicals and biomaterials. The examples presented here highlight strain improvement and engineering for synthesis of hydroxylated fatty acids for biomaterials, structured triglycerides resembling human milk fat for infant nutrition, very-long-chain mono- and polyunsaturated fatty acids with nutraceutical or therapeutic potential, and cannabinoids for pharmacological applications.

Moseley, Jeffrey L. [University of California, Ber↗
DOE OSTI2024

An outbreak of renal failure in asian dogs due to s-triazine adulteration of pet food raw material: Analysis of unique, green kidney stones formed as a result

Renoliths were removed at necropsy from dogs that had died from acute kidney injury in Asia in 2004 and submitted to our laboratories for analysis including elemental composition, mass spectrometry, and microprobe analysis. The presence of a mixed s-triazine matrix comprising melamine, cyanuric acid, and ammelide, but no detectable ammeline, was found in the stone samples we analyzed. The unusual and unique green coloration of these stones was determined to be due to the presence of biliverdin. The occurrence of these green stones distinguished the 2004 incident from another incident in 2007 in the USA and other reported cases. The presence of crystals was reported in renal tubules and collecting ducts in both outbreaks, but no stones were reported in the 2007 incident. Here, this difference suggested a variation in the disease process caused by mixed s- triazine ingestion. Careful monitoring of food additives is warranted to prevent future problems in animals and humans.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Influence of clay mineral weathering on green rust formation at iron-reducing conditions

Green rusts (GR) are important drivers for trace metal and nutrient cycling in suboxic environments. We investigated whether green rusts would incorporate aluminum (Al) or other elements from naturally-formed clay minerals containing easily-weatherable clay minerals (e.g. mica, interlayered clays). We isolated the clay minerals from a Matapeake silt loam soil by removal of silt and sand, organic matter, and reducible oxides to study mechanisms of interaction between Fe(II) and soil-sourced clay minerals. We conducted batch Fe(II) sorption experiments at multiple near-neutral pHs (6.5–7.5) and reaction times (2h–365 days). Mineral transformations were characterized by selective extractions, X-ray diffraction (XRD), and Fe X-ray absorption spectroscopy (XAS) analyzed by shell-fitting and linear combination fitting (LCF) with natural and synthetic standards. Clay mineral fraction contained a mixture of quartz, kaolinite, interlayered vermiculite, mica, and chlorite with significant structural Fe (2.6% wt). Uptake of Fe(II) increased with pH and kinetics were rapid until 5 days, followed by slow continuous Fe(II) uptake. Citrate-bicarbonate desorption kinetics from Fe(II) sorbed clay released more Al and silicon (Si) compared with unreacted soil clay fraction whereas magnesium (Mg) and potassium (K) were unaffected. Citrate-bicarbonate extracted Fe contained more Fe(II) than an ideal GR with an Fe(II)/Fe(III) molar ratio of 5.50. Analysis of the Fe EXAFS by both LCF and shell fitting was best modeled as a combination of Fe(III)-clay reduction to Fe(II) and precipitation of GR and Fe(II)-Al LDH. After 7 days of Fe(II) sorption, LCF identified 55.2% total Fe in clay, 33.4% GR(Cl) and 11.4% Fe(II)-Al LDH. Further, these results provide novel evidence of Fe(II)-Al LDHs precipitating on naturally-formed soil clay minerals as a minor phase to GR. The geochemical implications are that GRs formed in soils and sediments should be considered to have Al and Si as well as Mg substitutions affecting their structure and reactivity.

58 GEOSCIENCES↗
DOE OSTI2022

Green synthesis of cellulose formate and its efficient conversion into 5-hydroxymethylfurfural

5-hydroxymethylfurfural (HMF) production from cellulose is a hot topic, while the rigidity of cellulose limits its efficient conversion into HMF. Cellulose formate has exhibited the great potential for HMF production but it’s synthesis via direct formylation of cellulose in formic acid is difficult. We reported a green synthetic route of cellulose formate and its efficient conversion into HMF. Ball milled cellulose formate (BCF) was synthesized via ball milling followed by formylation in formic acid at 80 °C for 0.5 h. The structure of BCF was thoroughly characterized and BCF was subsequently converted to HMF catalyzed by AlCl3 and HCl in dimethyl sulfoxide (DMSO)-H 2 O media. Results showed that ball milling of cellulose for 1–1.5 h efficiently deconstructed its crystallinity and degree of polymerization, boosting its further formylation and catalytic conversion. An overall 66.9% HMF yield from cellulose was achieved at 150 °C for 20 min using BCF derived from cellulose ball milled for 1.5 h as the substrate. BCF exhibits high reactivity toward HMF due to its excellent solubility and accessibility in DMSO-H 2 O media, and the release of formic acid in reaction further facilitates HMF production. BCF synthesized with different ball milling times shows different degrees of substitution of formyl groups, which could serve as an indicator and regulate the HMF production. The green synthesis of cellulose formate creates an efficient pathway for HMF production.

5-hydroxymethylfurfural↗
DOE OSTI2021

Role of V-defect density on the performance of III-nitride green LEDs on sapphire substrates

In this paper, we experimentally investigated the role of V-defect density on the performance of green III-nitride LEDs grown on sapphire substrates by metalorganic chemical vapor deposition. We systematically varied the threading dislocation (TD) density from 4 × 10 8 to 1 × 10 9 cm -2 by changing the V/III ratio during initial high temperature GaN growth. A 30-period InGaN/GaN superlattice promoted V-defect formation and growth at TDs, where the density of V-defects was correlated to the TD density. By interrupting the LED growth and examining the surface of the active region, we quantified the average size and density of V-defects. In a series of LEDs, we measured a systematic decrease in forward voltage (V F ) with V-defect density. At a V-defect density of 5.0 × 10 8 cm -2 and TD density of 1 × 10 9 cm -2 , green LED devices were demonstrated with λ = 523 nm and V F = 2.94 V at 20 A cm -2 . These results highlight the potential of using V-defect engineering to achieve low V F long wavelength LEDs on sapphire substrates, where opening of remaining threading dislocations into V-defects presents an opportunity for further V F reduction.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multi-scale integration of satellite remote sensing improves characterization of dry-season green-up in an Amazon tropical evergreen forest

In tropical forests, leaf phenology-particularly the pronounced dry-season green-up-strongly regulates biogeochemical cycles of carbon and water fluxes. However, uncertainties remain in the understanding of tropical forest leaf phenology at different spatial scales. Phenocams accurately characterize leaf phenology at the crown and ecosystem scales but are limited to a few sites and time spans of a few years. Time-series satellite observations might fill this gap, but the commonly used satellites (e.g. MODIS, Landsat and Sentinel-2) have resolutions too coarse to characterize single crowns. To resolve this observational challenge, we used the PlanetScope constellation with a 3m resolution and near daily nadir-view coverage. We first developed a rigorous method to cross-calibrate PlanetScope surface reflectance using daily BRDF-adjusted MODIS as the reference. We then used linear spectral unmixing of calibrated PlanetScope to obtain dry-season change in the fractional cover of green vegetation (GV) and non-photosynthetic vegetation (NPV) at the PlanetScope pixel level. We used the Central Amazon Tapajos National Forest k67 site, as all necessary data (from field to phenocam and satellite observations) was available. For this proof of concept, we chose a set of 22 dates of PlanetScope measurements in 2018 and 16 in 2019, all from the six drier months of the year to provide the highest possible cloud-free temporal resolution. Our results show that MODIS-calibrated dry-season PlanetScope data (1) accurately assessed seasonal changes in ecosystem-scale and crown-scale spectral reflectance; (2) detected an increase in ecosystem-scale GV fraction (and a decrease in NPV fraction) from June to November of both years, consistent with local phenocam observations with R 2 around 0.8; and (3) monitored large seasonal trend variability in crown-scale NPV fraction. Finally, our results highlight the potential of integrating multi-scale satellite observations to extend fine-scale leaf phenology monitoring beyond the spatial limits of phenocams.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A country-scale green energy-water-hydrogen nexus: Jordan as a case study

Many developing countries suffer from a shortage of clean energy-water production, causing significant dependency on imported fossil fuel to meet the local energy and freshwater demands. Furthermore, when planning a 100 % renewable energy system (RES) to match the energy demand on an hourly basis, the RES is usually oversized. Hence, unavoidable large amounts of excess energy would be generated during hours of high production, low demand, and fully charged energy storage systems (ESSs). Hence, using Jordan as a case study, this work proposes a novel integrated system of wind, solar photovoltaic (PV), and lithium-ion ESS to match 100 % of the country's energy demand while using the excess generated power to drive reverse osmosis water desalination plants to match the demand of freshwater as well. Furthermore, the remaining excess energy is used for producing green hydrogen. A techno-economic optimizer was developed to show that this concept is indeed feasible. Here, the model was used to scan Jordan for the fitting sites of the highest demand-supply matching and the lowest levelized cost of electricity (LCOE), simultaneously. Three different integration scenarios are presented, namely PV-ESS, wind-ESS, and hybrid PV-wind-ESS RESs. The hybrid system showed the best performance, especially compared to the wind-ESS RES, in terms of total installed capacity (33.37 GW), LCOE (0.0492 USD/kWh), specific water cost (0.3629 USD/m 3 ), and energy and water demand-supply fractions (99.47 and 96.16 %, respectively). Storing desalinated water in natural aquifers was found to be a favorable option to enhance the performance of the three systems, where stored water by the end of the year was sufficient to cover the freshwater requirements for several following years. Finally, the remaining excess energy is used to produce green hydrogen with an annual production of up to 1.37 million tons and a specific cost down to 1.08 USD/kg.

14 SOLAR ENERGY↗
DOE OSTI2026

Hybrid Grid-Renewable Strategies for Green Steel Production under Electricity Market Uncertainty

Volatility in grid spot prices is expected to rise with climate change-driven demand pressures and the intermittency of renewable generation. This volatility poses financial risks for green hydrogen-based steel production. The Direct Reduced Iron− Electric Arc Furnace (H 2 -DRI-EAF) is a promising pathway to decarbonize steel, which accounts for ∼8% of global GHG emissions. This study assesses how increased grid spot price volatility influences the optimal sizing and operation of H2-DRIEAF plants under three operational scenarios: grid-connected, fully behind-the-meter (islanded), and mixed-mode (semi-islanded). Our analysis identifies the semi-islanded configuration as the most cost-effective solution, achieving a Levelized Cost of Steel (LCOS) 10−35% lower than sourcing energy solely from the grid. Modeling also shows hydrogen storage or selective electricity purchases at high prices (>$1000/MWh) generally outperform battery storage, except under extreme volatility. Additionally, the study explores cost reduction strategies to strengthen the economic viability and sustainability of green steel production.

Batteries↗
DOE OSTI2024

Adaptive Variational Quantum Computing Approaches for Green’s Functions and Nonlinear Susceptibilities

Here, we present and benchmark quantum computing approaches for calculating real-time single-particle Green’s functions and nonlinear susceptibilities of Hamiltonian systems. The approaches leverage adaptive variational quantum algorithms for state preparation and propagation. Using automatically generated compact circuits, the dynamical evolution is performed over sufficiently long times to achieve adequate frequency resolution of the response functions. We showcase accurate Green’s function calculations using a statevector simulator on classical hardware for Fermi-Hubbard chains of 4 and 6 sites, with maximal ansatz circuit depths of 65 and 424 layers, respectively, and for the molecule LiH with a maximal ansatz circuit depth of 81 layers. Additionally, we consider an antiferromagnetic quantum spin-1 model that incorporates the Dzyaloshinskii-Moriya interaction to illustrate calculations of the third-order nonlinear susceptibilities, which can be measured in two-dimensional coherent spectroscopy experiments. These results demonstrate that real-time approaches using adaptive parametrized circuits to evaluate linear and nonlinear response functions can be feasible with near-term quantum processors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Triple Excitations in Green’s Function Coupled Cluster Solver for Studies of Strongly Correlated Systems in the Framework of Self-Energy Embedding Theory

Embedding theories became important approaches used for accurate calculations of both molecules and solids. In these theories, a small chosen subset of orbitals is treated with an accurate method, called an impurity solver, capable of describing higher correlation effects. Ideally, such a chosen fragment should contain multiple orbitals responsible for the chemical and physical behavior of the compound. Handling a large number of chosen orbitals presents a very significant challenge for the current generation of solvers used in the physics and chemistry community. Here, we develop a Green’s function coupled cluster singles doubles and triples (GFCCSDT) solver that can be used for a quantitative description in both molecules and solids. This solver allows us to treat orbital spaces that are inaccessible to other accurate solvers. At the same time, GFCCSDT maintains high accuracy of the resulting self-energy. Moreover, in conjunction with the GFCCSD solver, it allows us to test the systematic convergence of computational studies. Developing the CC family of solvers paves the road to fully systematic Green’s function embedding calculations in solids. In this paper, we focus on the investigation of GFCCSDT self-energies for a strongly correlated problem of SrMnO 3 solid. Subsequently, we apply this solver to solid MnO showing that an approximate variant of GFCCSDT is capable of yielding a high accuracy orbital resolved spectral function.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Size- and Phase-Controlled Nanometer-Thick ß-Ga2O3 Films with Green Photoluminescence for Optoelectronic Applications

Realization and optimization of the tunable/enhanced optical properties is critical to further advance the field of optoelectronics, photonics, and nano-electronics. In this context, here, we demonstrate green-emission characteristics with a ~30 fold enhancement in selectively engineered nanocrystalline Ga2O3 with a control over size, phase and interface nanostructure. Pulsed-laser-deposited ß-phase Ga2O3 films with an average crystallite size of ~9 nm along with a highly dense, close-compact nano-columnar structure with lowest possible defect density facilitates the thirty-fold enhancement in the photoluminescence (PL) intensity in green-region. Enhanced PL-emission in the optimized, engineered nano-architecture sheds light in designing Ga2O3-materials for promising future optoelectronic/photocatalytic applications.

Ga2O3, Nanocrystalline Films, Pulsed-Laser Deposit↗
DOE OSTI2023

Technoeconomic Model and Pathway to <$2/kg Green Hydrogen Using Integrated Halide Perovskite Photoelectrochemical Cells

The cost of gray hydrogen produced via fossil fuel-based steam-methane reforming has led the U.S. Department of Energy to specify <$\$$2/kg H 2 as a target for commercially competitive green hydrogen generation methods. Integrated photoelectrochemical cells have been proposed as a solar-to-hydrogen conversion technology. In this paper we describe a technoeconomically feasible pathway to reaching <$\$$2/kg green H 2 using integrated photoelectrochemical cells with halide perovskite photoabsorbers, low-cost conductive barriers, and low precious metal-content catalysts in an aqueous, membrane-separated cell. A base-case solar-to-hydrogen conversion efficiency of 20%, stable lifetime of 10 years, and a combined electrocatalyst-plus-panel cost of $\$$50/m 2 enabled a levelized cost of hydrogen of $\$$2.43/kg, which dropped below $\$$2/kg with improved performance metrics including material cost, improvements in process design, or subsidies. We relate these metrics to lab-scale reports to recommend best research practices for scientists and funding agencies working at this intersection of photovoltaics, electrocatalysis, and surface science.

$1/kg↗
DOE OSTI2021

Recovery of Cathode Materials and Aluminum Foil Using a Green Solvent

Effective separation of cathode materials and current collectors is one of the most enabling steps, yet a very challenging step, in recycling electrode scraps and spent Li-ion cells. Here, a green solvent, triethyl phosphate, was used to recover invaluable cobalt-containing cathodes, such as NMC622, by dissolving the polymeric binder of poly(vinylidene fluoride). Electrochemically active materials were separated from cathode scraps collected at the manufacturing step of electrodes through a solvent-based separation method without jeopardizing their physical characteristics, crystalline structure, and electrochemical performance. In this work, we found that the recovered aluminum foils were clean without any sign of corrosion and that the polymeric binder could be recovered via a non-solvent-induced phase separation. Additionally, recovery of cathode materials from spent cells was achieved using refined separation parameters based on the recycling of cathode scraps. It is anticipated that this green solvent-based separation for cathode recovery will attract significant interest by the lithium-ion battery manufacturing and recycling communities.

25 ENERGY STORAGE↗
DOE OSTI2024

Observational Constraints on the Spatial Effect of Greenness and Canopy Cover on Urban Heat in a Major Midlatitude City

Abstract Urban heat stress is a critical issue, particularly in cities where dense infrastructure and limited green space exacerbate temperature extremes. This study investigates the impact of greenery (EVI2), canopy cover (CC), impervious cover (IC), and water bodies on heat index in Chicago using high‐resolution data from the Heat Watch campaign. We find that EVI2, CC and proximity to water body significantly reduce heat while IC increases heat, particularly in the afternoon when solar radiation is intense. Additionally, the effective radius that land cover impacts heat is smaller in the afternoon. The combined effect analysis indicates that enhancing total greenness, not just canopy cover, is the most effective strategy to reduce heat. This study underscores the importance of strategic vegetation management, highlighting the critical role of integrated approaches in reducing urban heat.

Lee, Jangho↗
DOE OSTI2020

End of Green Sahara amplified mid- to late Holocene megadroughts in mainland Southeast Asia

Between 5 and 4 thousand years ago, crippling megadroughts led to the disruption of ancient civilizations across parts of Africa and Asia, yet the extent of these climate extremes in mainland Southeast Asia (MSEA) has never been defined. This is despite archeological evidence showing a shift in human settlement patterns across the region during this period. We report evidence from stalagmite climate records indicating a major decrease of monsoon rainfall in MSEA during the mid- to late Holocene, coincident with African monsoon failure during the end of the Green Sahara. Through a set of modeling experiments, we show that reduced vegetation and increased dust loads during the Green Sahara termination shifted the Walker circulation eastward and cooled the Indian Ocean, causing a reduction in monsoon rainfall in MSEA. Our results indicate that vegetation-dust climate feedbacks from Sahara drying may have been the catalyst for societal shifts in MSEA via ocean-atmospheric teleconnections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Iron rescues glucose-mediated photosynthesis repression during lipid accumulation in the green alga Chromochloris zofingiensis

Energy status and nutrients regulate photosynthetic protein expression. The unicellular green alga Chromochloris zofingiensis switches off photosynthesis in the presence of exogenous glucose (+Glc) in a process that depends on hexokinase (HXK1). Here, we show that this response requires that cells lack sufficient iron (–Fe). Cells grown in –Fe+Glc accumulate triacylglycerol (TAG) while losing photosynthesis and thylakoid membranes. However, cells with an iron supplement (+Fe+Glc) maintain photosynthesis and thylakoids while still accumulating TAG. Proteomic analysis shows that known photosynthetic proteins are most depleted in heterotrophy, alongside hundreds of uncharacterized, conserved proteins. Photosynthesis repression is associated with enzyme and transporter regulation that redirects iron resources to (a) respiratory instead of photosynthetic complexes and (b) a ferredoxin-dependent desaturase pathway supporting TAG accumulation rather than thylakoid lipid synthesis. Combining insights from diverse organisms from green algae to vascular plants, we show how iron and trophic constraints on metabolism aid gene discovery for photosynthesis and biofuel production.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Seasonal stabilization effects slowed the greening of the Northern Hemisphere over the last two decades

Rising atmospheric CO₂ and warming spring temperatures increase vegetation growth and the terrestrial carbon sink. However, drought, heat stress, phenology, and resource limitations may stabilize or limit theses projected increases. We investigate the balance between these amplifying and stabilizing ecological factors by asking whether enhanced early-season growth leads to continued late-season growth. Using the Moderate Resolution Imaging Spectroradiometer (MODIS) leaf area index (LAI) dataset, we identify three seasonal growth patterns based on early- and peak-season positive LAI anomalies: (1) amplification, where late-season LAI anomalies exceed earlier ones; (2) weak stabilization, where late-season anomalies remain similar or slightly lower; and (3) strong stabilization, where late-season anomalies become negative. Weak and strong stabilization events dominate across 67% and 26% of Northern Hemisphere ecosystems above 30°N, respectively. The absence of any trend in amplifying or stabilizing events suggests stabilizing factors seasonally offset CO₂ and temperature-induced spring greening. Terrestrial biosphere models underestimate strong stabilization and overestimate amplification events. This inconsistency arises from the models’ underestimation late-season LAI sensitivity to precipitation in water-limited regions; overlook negative legacy effects of early enhanced LAI on late-season soil moisture via evapotranspiration losses in energy-limited regions. Our findings suggest water/heat stress and resource limitations limit greening and the land carbon sink.

Zhang, Wen↗