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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Long‐Term Impacts of Global Solid Biofuel Emissions on Ambient Air Quality and Human Health for 2000–2019

Globally, solid biofuels (SB) have been widely used for household cooking and energy production for decades due to electricity shortages and socio-economic barriers to adopting renewable energy alternatives. This has detrimental effects on air quality, human health, and climate through trace gas and aerosol emissions. Despite numerous studies, the long-term consequences of SB emissions remain poorly understood. Here, we use the Community Earth System Model and the Community Emissions Data System emission inventory to investigate the SB emission impacts on air quality and human health for 2000–2019. Global SB emission increased the ambient PM 2.5 (particulate matter with aerodynamic diameters ≤2.5 μm) and ozone (O 3 ) concentrations up to 23.61 μg/m 3 and 13.69 ppbv, with significant effects found in India, China, and the Rest of Asia (ROA). Our study estimates total annual premature deaths (APDs) associated with global SB-attributable PM 2.5 and O 3 exposure as 1.11 million [95% confidence interval (95% CI): 1.00–1.22 million] in 2000 up to 1.43 million (95% CI: 1.30–1.56 million) in 2019. China's SB emissions and associated APDs have reduced substantially, whereas India and ROA had a major leap in both estimates in 2019 compared to 2000. China's progress in cutting residential SB emissions accounts for its improvements. Our study urges the reduction of SB usage and emissions to potentially improve overall air quality and human health conditions, especially in highly populated, low- and middle-income countries, where the poor air quality and associated health burden attributable to SB emissions are estimated to be higher.

O 3↗
DOE OSTI2024

Data‐Driven Predictions of Peak Warming Under Rapid Decarbonization

Abstract The severe impacts associated with recent record‐setting annual global temperatures elevate the need to accurately predict the hottest conditions that could occur even if the most ambitious decarbonization goals are achieved. We use convolutional neural networks (CNNs) to predict peak global warming from recent observed temperature maps and future cumulative CO 2 emissions. For the SSP1‐1.9 decarbonization scenario there is >99% probability that mean global warming exceeds 1.5°C, approximately even odds that it reaches 2°C, and ∼90% probability that the hottest year globally exceeds 2023 by at least 0.5°C. Further, for the SSP2‐4.5 decarbonization scenario, there is >90% probability that the hottest annual global temperature anomaly is twice the 2023 anomaly. That our framework makes highly accurate out‐of‐sample predictions of the hottest historical year provides confidence in the predicted future probabilities, suggesting substantial risks from the extreme local conditions that are likely to result from globally hot years during rapid decarbonization.

Diffenbaugh, Noah S. [Doerr School of Sustainabili↗
DOE OSTI2025

A Practical Probabilistic Benchmark for AI Weather Models

Since the weather is chaotic, it is necessary to forecast an ensemble of future states. Recently, multiple AI weather models have emerged claiming breakthroughs in deterministic skill. Unfortunately, it is hard to fairly compare ensembles of AI forecasts because variations in ensembling methodology become confounding and the baseline data volume is immense. We address this by scoring lagged initial condition ensembles—whereby an ensemble can be constructed from a library of deterministic hindcasts. This allows the first parameter‐free intercomparison of leading AI weather models' probabilistic skill against an operational baseline. Lagged ensembles of the two leading AI weather models, GraphCast and Pangu, perform similarly even though the former outperforms the latter in deterministic scoring. These results are elaborated upon by sensitivity tests showing that commonly used multiple time‐step loss functions damage ensemble calibration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Revealing the Moon's Taurus‐Littrow Landslide via Integrated Analysis of Pristine Apollo 17 Soil Core 73001/2

The “light mantle” deposit at the base of South Massif in the Moon's Taurus‐Littrow Valley was a primary science target for the Apollo 17 exploration. The possibility that it was a landslide triggered by ejecta from Tycho Crater is critical for establishing the age of Tycho and constraining recent lunar impact chronology; however, the mechanism of emplacement of the deposit has recently been questioned. The newly opened 73001/73002 double drive tube from Station 3 sampled 70.6 cm deep into the regolith and represents the first stratigraphic section of an extraterrestrial landslide deposit returned to Earth. Here we provide an overview of the stratigraphy of the 73001/73002 core based on top to bottom variations revealed by coordinated laboratory analyses and explore constraints on the emplacement of the light mantle deposit. Briefly, the upper ∼10 cm of 73002 contains a disturbed zone from space weathering and emplacement of ejecta from a nearby crater that excavated and ejected basaltic material. Below 10 cm is a nearly uniform unit of immature regolith. These data support a single event for the emplacement of the deposit at this location, followed by weathering and mixing of materials from nearby crater ejecta in the upper 10 cm. Slight variations in chemistry and clast components may reflect the relative stratigraphy of the South Massif slope, with material toward the bottom of 73001 originating from lower slopes and material from higher up in the core representing regolith from higher up the South Massif slopes.

58 GEOSCIENCES↗
DOE OSTI2025

Stable Machine‐Learning Parameterization of Subgrid Processes in a Comprehensive Atmospheric Model Learned From Embedded Convection‐Permitting Simulations

Modern climate projections often suffer from inadequate spatial and temporal resolution due to computational limitations, resulting in inaccurate representations of sub-grid processes. A promising technique to address this is the multiscale modeling framework (MMF), which embeds a kilometer-resolution cloud-resolving model (CRM) within each atmospheric column of a host climate model to replace traditional convection and cloud parameterizations. Machine learning offers a unique opportunity to make MMF more accessible by emulating the embedded CRM and reducing its substantial computational cost. Although many studies have demonstrated proof-of-concept success of achieving stable hybrid simulations, it remains a challenge to achieve near operational-level success with real geography and comprehensive variable emulation that includes, for example, explicit cloud condensate coupling. In this study, we present a stable hybrid model capable of integrating for at least 5 years with near operational-level complexity, including coarse-grid geography, seasonality, explicit cloud condensate and wind predictions, and land coupling. Our model demonstrates skillful online performance, achieving a 5-year zonal mean tropospheric temperature bias within 2 K, water vapor bias within 1 g/kg, and a precipitation root mean square error of 0.96 mm/day. Key factors contributing to our online performance include an expressive U-Net architecture and physical thermodynamic constraints for microphysics. With microphysical constraints mitigating unrealistic cloud formation, our work is the first to demonstrate realistic multi-year cloud condensate climatology under the MMF framework. Despite these advances, online diagnostics reveal persistent biases in certain regions, highlighting the need for innovative strategies to further optimize online performance.

Hu, Zeyuan [NVIDIA Corporation, Santa Clara, CA (U↗
DOE OSTI2025

Global Simulations Suggest Biomass Burning Aerosol Emissions From Grassland Fires Could Be Important Ice Nucleating Particles

Ice nucleating particles (INP) capable of nucleating ice crystals via immersion freezing at temperatures above approximately −35°C may strongly influence cloud glaciation, with implications for global precipitation and climate feedback. In addition to mineral dust, soil dust, and marine organics, laboratory and field measurements suggest biomass burning aerosols (BBA) can act as immersion-mode INP between around −30°C and −15°C. However, the contribution of BBA to the global INP budget remains poorly understood due to poor knowledge of which fuels yield INPs, uncertainties in global coverage of those fuels, and unknown size distributions of the INPs in the BBA. Nonetheless, with some understanding of these uncertainties from sensitivity studies, the relative importance of ice nucleation activity of BBA compared to other INP sources can be quantified. In this work, we investigate the potential global importance of BBA as INP using a global aerosol-climate model, specifically the UK Met Office Unified Model (UM). We evaluate the model using field campaign data sets. We examine potential uncertainties in fuel types and particle sizes on BBA-based INP concentrations. Averaged over June–September between 15°S and 50°S, BBA is a more important INP than dust and marine INP about 30% of the time at altitudes with temperatures between −30°C and −20°C. Our simulations therefore suggest BBA INPs may be at least as important as mineral dust and marine INP over the atmospheric regions and seasons where grassland fires are frequent.

Gohil, Kanishk [Carnegie Mellon University, Pittsb↗
DOE OSTI2020

Nanobody-enabled monitoring of kappa opioid receptor states

Recent studies show that GPCRs rapidly interconvert between multiple states although our ability to interrogate, monitor and visualize them is limited by a relative lack of suitable tools. We previously reported two nanobodies (Nb39 and Nb6) that stabilize distinct ligand- and efficacy-delimited conformations of the kappa opioid receptor. Here, we demonstrate via X-ray crystallography a nanobody-targeted allosteric binding site by which Nb6 stabilizes a ligand-dependent inactive state. As Nb39 stabilizes an active-like state, we show how these two state-dependent nanobodies can provide real-time reporting of ligand stabilized states in cells in situ. Significantly, we demonstrate that chimeric GPCRs can be created with engineered nanobody binding sites to report ligand-stabilized states. Our results provide both insights regarding potential mechanisms for allosterically modulating KOR with nanobodies and a tool for reporting the real-time, in situ dynamic range of GPCR activity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Creation and observation of Hopfions in magnetic multilayer systems

Among topological solitons, magnetic skyrmions are two-dimensional particle-like objects with a continuous winding of the magnetization, and magnetic Hopfions are three-dimensional objects that can be formed from a closed loop of twisted skyrmion strings. Theoretical models suggest that magnetic Hopfions can be stabilized in frustrated or chiral magnetic systems, and target skymions can be transformed into Hopfions by adapting their perpendicular magnetic anisotropy, but their experimental verification has been elusive so far. Here, we present an experimental study of magnetic Hopfions that are created in Ir/Co/Pt multilayers shaped into nanoscale disks, known to host target skyrmions. To characterize three-dimensional spin textures that distinguish Hopfions from target skyrmions magnetic images are recorded with surface-sensitive X-ray photoemission electron microscopy and bulk-sensitive soft X-ray transmission microscopy using element-specific X-ray magnetic circular dichroism effects as magnetic contrast. These results could stimulate further investigations of Hopfions and their potential application in three-dimensional spintronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Oxo dicopper anchored on carbon nitride for selective oxidation of methane

Abstract Selective conversion of methane (CH 4 ) into value-added chemicals represents a grand challenge for the efficient utilization of rising hydrocarbon sources. We report here dimeric copper centers supported on graphitic carbon nitride (denoted as Cu 2 @C 3 N 4 ) as advanced catalysts for CH 4 partial oxidation. The copper-dimer catalysts demonstrate high selectivity for partial oxidation of methane under both thermo- and photocatalytic reaction conditions, with hydrogen peroxide (H 2 O 2 ) and oxygen (O 2 ) being used as the oxidizer, respectively. In particular, the photocatalytic oxidation of CH 4 with O 2 achieves >10% conversion, and >98% selectivity toward methyl oxygenates and a mass-specific activity of 1399.3 mmol g Cu −1 h −1 . Mechanistic studies reveal that the high reactivity of Cu 2 @C 3 N 4 can be ascribed to symphonic mechanisms among the bridging oxygen, the two copper sites and the semiconducting C 3 N 4 substrate, which do not only facilitate the heterolytic scission of C-H bond, but also promotes H 2 O 2 and O 2 activation in thermo- and photocatalysis, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Active conformation of the p97-p47 unfoldase complex

The p97 AAA+ATPase is an essential and abundant regulator of protein homeostasis that plays a central role in unfolding ubiquitylated substrates. Here we report two cryo-EM structures of human p97 in complex with its p47 adaptor. One of the conformations is six-fold symmetric, corresponds to previously reported structures of p97, and lacks bound substrate. The other structure adopts a helical conformation, displays substrate running in an extended conformation through the pore of the p97 hexamer, and resembles structures reported for other AAA unfoldases. These findings support the model that p97 utilizes a “hand-over-hand” mechanism in which two residues of the substrate are translocated for hydrolysis of two ATPs, one in each of the two p97 AAA ATPase rings. Proteomics analysis supports the model that one p97 complex can bind multiple substrate adaptors or binding partners, and can process substrates with multiple types of ubiquitin modification.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Environmental trade-offs of direct air capture technologies in climate change mitigation toward 2100

Abstract Direct air capture (DAC) is critical for achieving stringent climate targets, yet the environmental implications of its large-scale deployment have not been evaluated in this context. Performing a prospective life cycle assessment for two promising technologies in a series of climate change mitigation scenarios, we find that electricity sector decarbonization and DAC technology improvements are both indispensable to avoid environmental problem-shifting. Decarbonizing the electricity sector improves the sequestration efficiency, but also increases the terrestrial ecotoxicity and metal depletion levels per tonne of CO 2 sequestered via DAC. These increases can be reduced by improvements in DAC material and energy use efficiencies. DAC exhibits regional environmental impact variations, highlighting the importance of smart siting related to energy system planning and integration. DAC deployment aids the achievement of long-term climate targets, its environmental and climate performance however depend on sectoral mitigation actions, and thus should not suggest a relaxation of sectoral decarbonization targets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

High-fidelity qutrit entangling gates for superconducting circuits

Ternary quantum information processing in superconducting devices poses a promising alternative to its more popular binary counterpart through larger, more connected computational spaces and proposed advantages in quantum simulation and error correction. Although generally operated as qubits, transmons have readily addressable higher levels, making them natural candidates for operation as quantum three-level systems (qutrits). Recent works in transmon devices have realized high fidelity single qutrit operation. Nonetheless, effectively engineering a high-fidelity two-qutrit entanglement remains a central challenge for realizing qutrit processing in a transmon device. In this work, we apply the differential AC Stark shift to implement a flexible, microwave-activated, and dynamic cross-Kerr entanglement between two fixed-frequency transmon qutrits, expanding on work performed for the ZZ interaction with transmon qubits. We then use this interaction to engineer efficient, high-fidelity qutrit CZ † and CZ gates, with estimated process fidelities of 97.3(1)% and 95.2(3)% respectively, a significant step forward for operating qutrits on a multi-transmon device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Acceleration of U.S. Southeast and Gulf coast sea-level rise amplified by internal climate variability

While there is evidence for an acceleration in global mean sea level (MSL) since the 1960s, its detection at local levels has been hampered by the considerable influence of natural variability on the rate of MSL change. Here we report a MSL acceleration in tide gauge records along the U.S. Southeast and Gulf coasts that has led to rates (>10 mm yr -1 since 2010) that are unprecedented in at least 120 years. We show that this acceleration is primarily induced by an ocean dynamic signal exceeding the externally forced response from historical climate model simulations. However, when the simulated forced response is removed from observations, the residuals are neither historically unprecedented nor inconsistent with internal variability in simulations. A large fraction of the residuals is consistent with wind driven Rossby waves in the tropical North Atlantic. This indicates that this ongoing acceleration represents the compounding effects of external forcing and internal climate variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Machine learning-assisted crystal engineering of a zeolite

Abstract It is shown that Machine Learning (ML) algorithms can usefully capture the effect of crystallization composition and conditions (inputs) on key microstructural characteristics (outputs) of faujasite type zeolites (structure types FAU, EMT, and their intergrowths), which are widely used zeolite catalysts and adsorbents. The utility of ML (in particular, Geometric Harmonics) toward learning input-output relationships of interest is demonstrated, and a comparison with Neural Networks and Gaussian Process Regression, as alternative approaches, is provided. Through ML, synthesis conditions were identified to enhance the Si/Al ratio of high purity FAU zeolite to the hitherto highest level (i.e., Si/Al = 3.5) achieved via direct (not seeded), and organic structure-directing-agent-free synthesis from sodium aluminosilicate sols. The analysis of the ML algorithms’ results offers the insight that reduced Na 2 O content is key to formulating FAU materials with high Si/Al ratio. An acid catalyst prepared by partial ion exchange of the high-Si/Al-ratio FAU (Si/Al = 3.5) exhibits improved proton reactivity (as well as specific activity, per unit mass of catalyst) in propane cracking and dehydrogenation compared to the catalyst prepared from the previously reported highest Si/Al ratio (Si/Al = 2.8).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Pressure-controlled magnetism in 2D molecular layers

Abstract Long-range magnetic ordering of two-dimensional crystals can be sensitive to interlayer coupling, enabling the effective control of interlayer magnetism towards voltage switching, spin filtering and transistor applications. With the discovery of two-dimensional atomically thin magnets, a good platform provides us to manipulate interlayer magnetism for the control of magnetic orders. However, a less-known family of two-dimensional magnets possesses a bottom-up assembled molecular lattice and metal-to-ligand intermolecular contacts, which lead to a combination of large magnetic anisotropy and spin-delocalization. Here, we report the pressure-controlled interlayer magnetic coupling of molecular layered compounds via chromium-pyrazine coordination. Room-temperature long-range magnetic ordering exhibits pressure tuning with a coercivity coefficient up to 4 kOe/GPa, while pressure-controlled interlayer magnetism also presents a strong dependence on alkali metal stoichiometry and composition. Two-dimensional molecular interlayers provide a pathway towards pressure-controlled peculiar magnetism through charge redistribution and structural transformation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Author Correction: High-fidelity qutrit entangling gates for superconducting circuits

The original version of this Article contained an error in the second sentence of the Acknowledgements, which incorrectly read: ‘This work was supported by the Quantum Testbed Program of the Advanced Scientific Computing Research for Basic Energy Sciences program, Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231’. The correct version states ‘the Quantum Testbed Program of the Advanced Scientific Computing Research Division’ in place of ‘the Quantum Testbed Program of the Advanced Scientific Computing Research for Basic Energy Sciences program’. This has been corrected in both the PDF and HTML versions of the Article.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Nanoscale reshaping of resonant dielectric microstructures by light-driven explosions

Femtosecond-laser-assisted material restructuring employs extreme optical intensities to localize the ablation regions. To overcome the minimum feature size limit set by the wave nature of photons, there is a need for new approaches to tailored material processing at the nanoscale. Here, we report the formation of deeply-subwavelength features in silicon, enabled by localized laser-induced phase explosions in prefabricated silicon resonators. Using short trains of mid-infrared laser pulses, we demonstrate the controllable formation of high aspect ratio (>10:1) nanotrenches as narrow as ~ $λ / 80$. The trench geometry is shown to be scalable with wavelength, and controlled by multiple parameters of the laser pulse train, such as the intensity and polarization of each laser pulse and their total number. Particle-in-cell simulations reveal localized heating of silicon beyond its boiling point and suggest its subsequent phase explosion on the nanoscale commensurate with the experimental data. The observed femtosecond-laser assisted nanostructuring of engineered microstructures (FLANEM) expands the nanofabrication toolbox and opens exciting opportunities for high-throughput optical methods of nanoscale structuring of solid materials.

42 ENGINEERING↗
DOE OSTI2023

Taxonomic and environmental distribution of bacterial amino acid auxotrophies

Abstract Many microorganisms are auxotrophic—unable to synthesize the compounds they require for growth. With this work, we quantify the prevalence of amino acid auxotrophies across a broad diversity of bacteria and habitats. We predicted the amino acid biosynthetic capabilities of 26,277 unique bacterial genomes spanning 12 phyla using a metabolic pathway model validated with empirical data. Amino acid auxotrophy is widespread across bacterial phyla, but we conservatively estimate that the majority of taxa (78.4%) are able to synthesize all amino acids. Our estimates indicate that amino acid auxotrophies are more prevalent among obligate intracellular parasites and in free-living taxa with genomic attributes characteristic of ‘streamlined’ life history strategies. We predicted the amino acid biosynthetic capabilities of bacterial communities found in 12 unique habitats to investigate environmental associations with auxotrophy, using data compiled from 3813 samples spanning major aquatic, terrestrial, and engineered environments. Auxotrophic taxa were more abundant in host-associated environments (including the human oral cavity and gut) and in fermented food products, with auxotrophic taxa being relatively rare in soil and aquatic systems. Overall, this work contributes to a more complete understanding of amino acid auxotrophy across the bacterial tree of life and the ecological contexts in which auxotrophy can be a successful strategy.

59 BASIC BIOLOGICAL SCIENCES↗