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All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

TPSAS-NF1676L-26989-DND

The NASA Langley Research Center airborne High Spectral Resolution Lidar (HSRL-2) provided extensive measurements of smoke above shallow marine clouds while deployed from the NASAER-2 aircraft during the NASAEV-S Observations of Aerosols above Clouds and their Interactions (ORACLES) mission. During the first ORACLES field campaign in September 2016, the ER-2 was deployed from Walvis Bay, Namibia and conducted flights over the south eastern Atlantic Ocean. HSRL-2 measured profiles of aerosol backscattering, extinction and aerosol optical depth (AOD) at 355 and 532 nm and aerosol backscattering and depolarization at 1064 nm and so provided an excellent characterization of the wide-spread smoke layers above shallow marine clouds. We use the HSRL-2 measurements to examine retrievals of AOD above clouds retrieved from A Train active (CALIOP) and passive (OMI, MODIS) sensors. We also present profiles of aerosol microphysical properties such as concentration and effective radius that are derived from the HSRL-2 multi wavelength measurements of backscatter and extinction.

Richard Ferrare↗
NASA NTRSDate not supplied

TPSAS-NF1676L-27314-DND

The NASA Langley Research Center airborne High Spectral Resolution Lidar (HSRL-2) provided extensive measurements of smoke above shallow marine clouds while deployed from the NASA ER-2 aircraft during the NASA EV-S Observations of Aerosols above Clouds and their Interactions (ORACLES) mission. During the first ORACLES field campaign in September 2016, the ER-2 was deployed from Walvis Bay, Namibia and conducted flights over the southeastern Atlantic Ocean. HSRL-2 measured profiles of aerosol backscattering, depolarization, extinction and aerosol optical depth (AOD) at 355 and 532 nm and aerosol backscattering and depolarization at 1064 nm and so provided an excellent characterization of the wide-spread smoke layers above shallow marine clouds. We present profiles of aerosol microphysical properties such as concentration and effective radius that are derived from the HSRL-2 multiwavelength measurements of backscatter and extinction.

Detlef Müller↗
NASA NTRSDate not supplied

Variation and evolution of atmospheric structure over the SEA BB season as seen from aircraft and reanalysis

The presence of absorbing aerosols and atmospheric water vapor will impact clouds both radiatively and dynamically. The atmosphere over the southeast Atlantic Ocean (SEA) experiences consistent springtime biomass burning (BB) smoke from widespread agricultural fires on the African continent. This smoke layer is initially lofted high in a continental mixed layer (~5-6km) and is then transported westward into the free troposphere where it overlies and ultimately mixes into the underlying stratocumulus-topped oceanic boundary layer. Coincident with this smoke is an elevated humidity signal which is present from the time a given airmass is over the continental source region. ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) was a NASA Earth Venture Suborbital mission with the goal of measuring aerosol, cloud, and atmospheric properties over this region over three deployments in September 2016, August 2017, and October 2018. Measurements included in situ profile measurements of aerosol physical and optical properties, trace gas concentrations, and cloud properties, as well as column measurements of aerosol optical depth and trace gas concentrations from an airborne sun photometer, allowing for calculation of radiative heating at different altitudes. Here we present results from the three ORACLES deployments over the southeast Atlantic Ocean. The airborne observations capture both seasonal patterns (August through October) and spatial patterns (north/south and east/west) in the vertical smoke distribution and its correlation to atmospheric specific humidity over the SEA basin. We describe the observed variations and show that the variability in both meteorological and emissions is largely captured in the European Centre for Medium-range Weather Forecasting Copernicus Atmosphere Monitoring Service (ECMWF CAMS) reanalysis, which allows for a more systematic examination of the relative frequency of observed conditions and their radiative impact over the region. Finally, we discuss the broader radiative and dynamical implications of these results for conditions of biomass burning aerosols overlying stratocumulus clouds.

Kristina Marie Myers Pistone↗
NASA NTRSDate not supplied

Use of Aerosol Observations From Aircraft in Satellite Remote Sensing and Modelling Comparisons

Aerosol extensive and intensive properties vary throughout the world and remain one of the largest uncertainties in determining future climate both because of difficulties in their measurement and their modelled behaviors. Here we highlight the contributions of airborne sampling by the sunphotometer 4STAR (Spectrometers for Sky-Scanning Sun Tracking Atmospheric Research) from two different parts of the world; Korean peninsula and region during the KORUS-AQ experiment (KORean-US Air Quality in May-June 2016) and over the South East Atlantic during ORACLES (ObseRvations of CLouds above Aerosols and their intEractionS in August-September-October 2016, 2017, and 2018) field campaign. The high temporal and spatial resolution, afforded by airborne sampling during KORUS-AQ, are used to determine the variability of aerosol intensive and extensive properties, which is a metric than can be compared in between multiple different observations and models, even over varying surfaces and spanning multiple different aerosol emission sources. We show the consistency over spatial scales of the AOD (Aerosol Optical Depth), and the aerosol intensive properties (Angstrom exponent - AE, fine mode fraction - FMF) observed by 4STAR, GOCI (Geostationary Ocean Color Imager Yonsei aerosol retrieval v2), MERRA-2 reanalysis (Modern-Era Retrospective Analysis for Research and Applications, v2), and from airborne in situ aerosol optical measurements by LARGE (NASA Langley Aerosol Research Group Experiment). The majority of AODs due to fine mode aerosol is observed at altitudes lower than 2 km and is dependent on the prevailing meteorological conditions. AE and FMF are found to be more spatially variable than AOD during all of KORUS-AQ, even when accounting for potential sampling biases. This may indicate that microphysical processes like aerosol particle formation, growth, and coagulation impact the dominant aerosol size at shorter scales than their combined effect on the aerosol optical depth by the aerosol emission, transport, and removal. Averaging between measurements and model, the distance at which the correlation to itself is reduced by 15% is 65 km for AOD, and 22.7 km for AE. Vertically resolved measurement from an aircraft enable the direct measurements of aerosols overlying clouds. When aerosol overlie bright clouds, their radiative impact on the incident light can be either positive or negative. This difference in radiative impact promotes difficulties in remote sensing aerosol properties, which have shown biases in AOD retrievals when clouds are underneath. The AOD above clouds measured by 4STAR during ORACLES are used to build and improve upon the current Near-Real-Time MODACAERO algorithm for above cloud AOD from MODIS, into a continuity product for NASA EOS/SNPP/JPSS.

Aerosol↗
NASA NTRSDate not supplied

Impacts of Aerosol and Cloud Variability on Satellite-Derived All-skies Direct Aerosol Radiative Effects (DARE) over the North and Southeast Atlantic

The Top-of-Atmosphere (TOA) Shortwave (SW) Direct Aerosol Radiative Effect (DARE) in all-sky conditions (i.e., aerosols in clear skies and aerosols above and below all types of clouds) is the global change in upwelling radiative flux due to aerosols. It is one of the strongest indicators of global climate change due to aerosols. SW DARE at TOA depends on the Earth’s surface albedo, cloud fraction, cloud optical properties, and aerosol optical properties, which are all challenging to accurately characterize from space. The overarching goals of our project are to provide state-of-the-art observational all-sky TOA SW DARE, along with guidance on which aerosol and/or cloud properties are the most important to measure, and at which spatio-temporal scales, for accurate DARE observations. We compute all-sky DARE based on state-of-the-art cloud and aerosol retrieval algorithms from CALIOP (Cloud–Aerosol Lidar with Orthogonal Polarization) and MODIS (Moderate Resolution Imaging spectroradiometer) satellite sensors, as well as aerosol intensive properties from MERRA-2 (Modern-Era Retrospective Analysis for Research and Applications, version 2) simulations over three specific regions of the Atlantic Ocean from 2012 to 2016. In this symposium, we present a characterization of the cloud and aerosol optical and physical properties and the observational TOA SW DARE along three individual satellite tracks in the Southeast Atlantic region -- on September 18 and 20, 2016 and August 13, 2017. We then quantify the impact of assuming homogeneous cloud or aerosol fields in space-based TOA SW DARE calculations. And, finally, the resulting space-based all-skies aerosol vertical distribution and DARE calculations are evaluated using remote sensing observations from coincident suborbital flights from the NASA ORACLES (the ObseRvations of Aerosols above CLouds and their intEractionS, ORACLES field campaign) field campaign. The NASA Atmospheric Observing System (AOS) mission addresses the NASA Aerosol, Cloud, Convection and Precipitation (ACCP) designated observables and proposes, as one of its aerosol objectives, to reduce uncertainties in estimates of global mean all-sky SW DARE at TOA. Well characterizing clouds, aerosol vertical distributions, aerosol types and associated all-skies DARE over the Atlantic Ocean will inform the AOS community on where, when, how, and how often the satellite retrievals should be performed to estimate DARE and reduce all-skies DARE uncertainties most accurately. These comprehensive characterizations will also identify the key regions and times when the AOS (or other ACCP-related) suborbital missions should be conducted to evaluate and improve the AOS space-based observations and retrievals.

aerosol↗
NASA NTRS2024

Vertical Structure of a Springtime Smoky and Humid Troposphere Over the Southeast Atlantic From Aircraft and Reanalysis

The springtime atmosphere over the southeast Atlantic Ocean (SEA) is subjected to a consistent layer of biomass burning (BB) smoke from widespread fires on the African continent. An elevated humidity signal is coincident with this layer, consistently proportional to the amount of smoke present. The combined humidity and BB aerosol has potentially significant radiative and dynamic impacts. Here, we use aircraft-based observations from the NASA ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) deployments in conjunction with reanalyses to characterize covariations in humidity and BB smoke across the SEA. The observed plume–vapor relationship, and its agreement with the European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis version 5 (ERA5) and Copernicus Atmosphere Monitoring Service (CAMS) reanalysis, persists across all observations, although the magnitude of the relationship varies as the season progresses. Water vapor is well represented by the reanalyses, while CAMS tends to underestimate carbon monoxide especially under high BB. While CAMS aerosol optical depth (AOD) is generally overestimated relative to ORACLES AOD, the observations show a consistent relationship between carbon monoxide (CO) and aerosol extinction, demonstrating the utility of the CO tracer to understanding vertical aerosol distribution. We next use k-means clustering of the reanalyses to examine multi-year seasonal patterns and distributions. We identify canonical profile types of humidity and of CO, allowing us to characterize changes in vapor and BB atmospheric structures, and their impacts as they covary. While the humidity profiles show a range in both total water vapor concentration and in vertical structure, the CO profiles primarily vary in terms of maximum concentration, with similar vertical structures in each. The distribution of profile types varies spatiotemporally across the SEA region and through the season, ranging from largely one type in the northeast and southwest to more evenly distributed between multiple types where air masses meet in the middle of the SEA. These distributions follow patterns of transport from the humid, smoky source region (greatest influence in the northeast of the SEA) and the seasonal changes in both humidity and smoke (increasing and decreasing through the season, respectively). With this work, we establish a framework for a more complete analysis of the broader radiative and dynamical effects of humid aerosols over the SEA.

Kristina Pistone↗
DOE OSTI2026

A Stochastic Quasi-Newton Method in the Absence of Common Random Numbers

We present Q-SASS, a quasi-Newton method for unconstrained stochastic optimization that does not rely on common random numbers. Most existing quasi-Newton approaches leverage common random numbers to construct second-order updates. However, motivated by challenges in variational quantum algorithms—where such coordination is not possible—we consider the setting in which function values and gradients are accessible only through noisy probabilistic zeroth- and first-order oracles, and no common random numbers can be exploited. We derive high-probability tail bounds on the iteration complexity of our algorithm for nonconvex, convex, and strongly convex (more generally, those satisfying the PL condition) objective functions. Finally, we demonstrate the empirical benefits of our quasi-Newton updating scheme on both synthetic and quantum chemistry problems.

Complexity bound↗
DOE OSTI2025

Enabling Evaluation of a Southern Company Distribution Feeder on NREL ADMS Test Bed: Cooperative Research and Development (Final Report)

The objective of this project is to enable evaluation of a Southern Company distribution feeder on the Advanced Distribution Management System (ADMS) test bed. The long-term goal is to evaluate a federated distributed energy resource (DER) management solution that aggregates DERs through either direct control, transactive control or an aggregator to provide bulk services while observing distribution system voltage and power constraints. The DER aggregation needs to be coordinated with an ADMS that is responsible for reliable power delivery across the distribution systems. This project takes the first step towards enabling such evaluation by deploying an ADMS from Oracle (Southern Company's ADMS supplier) with a Southern Company feeder at NREL.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2000

Untrained users derail your caboose? Learn to get on track

You've implemented Oracle, and low-and-behold, your users can't bear it. They're making costly errors, finding creative work-arounds, and being mavericks with your system, because user training wasn't on track. This paper discusses how to build a proactive, comprehensive training program to get your users back on track.

Oracle training lessons learned training lifecycle↗
NASA NTRS2009

Active Learning for Directed Exploration of Complex Systems

Physics-based simulation codes are widely used in science and engineering to model complex systems that would be infeasible to study otherwise. Such codes provide the highest-fidelity representation of system behavior, but are often so slow to run that insight into the system is limited. For example, conducting an exhaustive sweep over a d-dimensional input parameter space with k-steps along each dimension requires k(sup d) simulation trials (translating into k(sup d) CPU-days for one of our current simulations). An alternative is directed exploration in which the next simulation trials are cleverly chosen at each step. Given the results of previous trials, supervised learning techniques (SVM, KDE, GP) are applied to build up simplified predictive models of system behavior. These models are then used within an active learning framework to identify the most valuable trials to run next. Several active learning strategies are examined including a recently-proposed information-theoretic approach. Performance is evaluated on a set of thirteen synthetic oracles, which serve as surrogates for the more expensive simulations and enable the experiments to be replicated by other researchers.

oracles↗
DOE OSTI2024

A preliminary investigation into the feasibility of laser ablation U–Pb isotope ratio measurement via all‐faraday cup detection with 10 11 ‐ and 10 13 ‐Ω amplifiers on the Neoma multicollector‐inductively coupled plasma‐mass spectrometer

Rationale Signal detection for uranium–lead (U–Pb) dating of zircon is typically performed via ion counters. Here, we develop a preliminary understanding of the strengths and limitations of faraday‐cup‐based detection. Methods A suite of zircon reference materials and the NIST‐610 glass were sampled using laser ablation followed by U–Pb isotope ratio measurement on a Neoma multicollector‐inductively coupled plasma‐mass spectrometer. Results We were able to produce geologically accurate 207 Pb/ 206 Pb, 206 Pb/ 238 U, and 207 Pb/ 235 U ratios for the NIST‐610 glass and the zircon standards, with ages ranging from ~2.5 Ga to ~337 Ma (TanBrown A, Oracle, 91550, Mud Tank, Temora, and Plešovice). Two of the younger zircon standards examined (94‐35, ~55.6 Ma, and Fish Canyon, 28.6 Ma) yielded accurate 206 Pb/ 238 U but not 207 Pb/ 235 U or 207 Pb/ 206 Pb ratios, whereas the youngest zircon standard (Penglai, ~4.4 Ma) failed for all three ratios of interest. The accuracy and precision of the all‐faraday method are directly tied to signal intensity, with reliable data capable of being produced even when both isotopes in a ratio have signals below ~0.001 V (equivalent to ~62 500 cps on an ion counter). Conclusion The all‐faraday cup multicollection method provides sufficient sensitivity to obtain geologically meaningful U–Pb data, with possible advantages being that laser pit depth‐dependent changes in the observed interelemental fractionation behavior may be easier to correct using a static collector configuration compared to when the ion beam is swept across a single detector while also removing the need for an interdetector‐type calibration. Further work is needed to refine the all‐faraday cup method (e.g., application of background subtraction and common Pb corrections, outlier removal, and interelement as well as down‐hole fractionation corrections), but our initial results demonstrate that the faraday detector method has sufficient sensitivity to warrant further study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Entropy Stable Conservative Flux Form Neural Networks

We propose an entropy-stable conservative flux form neural network (CFN) to predict the dynamics of unknown governing conservation laws. The design of the network is based on the entropy-stable, second-order, and non-oscillatory Kurganov-Tadmor (KT) scheme. The proposed entropy-stable CFN, hereafter referred to as ESCFN, uses slope limiting as a denoising mechanism, ensuring accurate predictions in both noisy and sparse observation environments, as well as in both smooth and discontinuous regions. Importantly, our method is designed to predict long term dynamics of the unknown conservation law exclusively from a short temporal window of observed data, that is, without oracle knowledge of the PDE or later-time solution profiles. Numerical experiments demonstrate that the ESCFN achieves both stability and conservation while maintaining accuracy over extended time domains, and successfully predicts shock propagation speeds in long-term simulations. Furthermore, it is also robust to both noisy and sparse data environments.

Hyperbolic conservation laws↗
DOE OSTI2025

Observable measurement-induced transitions

One of the main postulates of quantum mechanics is that measurements destroy quantum coherence (wave function collapse). Recently it was discovered that in a many-body system dilute local measurements still preserve some coherence across the entire system. As the measurement density is increased, a phase transition occurs that is characterized by the disentanglement of different parts of the system. Unfortunately, this transition is impossible to observe experimentally for macroscopic systems because it requires an exponentially costly full tomography of the many-body wave function or a comparison with the simulation on an oracle classical computer. In this work we report the discovery of another measurement-induced phase transition that can be observed experimentally if quantum dynamics can be reversed. On one side of this phase transition the quantum information encoded in some part of the Hilbert space is fully recovered after the time inversion. On the other side, all quantum information is corrupted. This transition also manifests itself as the change in the behavior of the probability to observe the same measurement outcome in the process that consists of identical blocks repeated many times. In each block the unitary evolution is followed by the measurement. On one side of the transition the probability decreases exponentially with the number of repetitions, on the other it tends to a constant as the number of repetitions is increased. We confirm the existence of the proposed phase transition through numerical simulations of realistic quantum circuits and analytical calculations using an effective random-matrix theory model.

Measurement-induced phase transitions↗
DOE OSTI2026

Neural entropy-stable conservative flux form neural networks for learning hyperbolic conservation laws

We propose a neural entropy-stable conservative flux form neural network (NESCFN) for learning hyperbolic conservation laws and their associated entropy functions directly from solution trajectories, without requiring any predefined numerical discretization. While recent neural network architectures have successfully integrated classical numerical principles into learned models, most rely on prior knowledge of the governing equations or assume a fixed discretization. Our approach removes this dependency by embedding entropy-stable design principles into the learning process itself, enabling the discovery of physically consistent dynamics in a fully data-driven setting. By jointly learning both the flux function and a corresponding entropy, NESCFN promotes conservation and entropy dissipation, which is critical for long-term stability and fidelity in the system of hyperbolic conservation laws. Furthermore, numerical results demonstrate that the method achieves stability and conservation over extended time horizons and accurately captures shock propagation speeds, even without oracle access to future-time solution profiles in the training data.

Conservative flux form↗
DOE OSTI2024

CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation

Molecular conformer generation (MCG) is an important task in cheminformatics and drug discovery. The ability to efficiently generate low-energy 3D structures can avoid expensive quantum mechanical simulations, leading to accelerated virtual screenings and enhanced structural exploration. Several generative models have been developed for MCG, but many struggle to consistently produce high-quality conformers for meaningful downstream applications. To address these issues, we introduce CoarsenConf, which coarse-grains molecular graphs based on torsional angles and integrates them into an SE(3)-equivariant hierarchical variational autoencoder. Through equivariant coarse-graining, we aggregate the fine-grained atomic coordinates of subgraphs connected via rotatable bonds, creating a variable-length coarse-grained latent representation. Our model uses a novel aggregated attention mechanism to restore fine-grained coordinates from the coarse-grained latent representation, enabling efficient generation of accurate conformers. Furthermore, we evaluate the chemical and biochemical quality of our generated conformers on multiple downstream applications, including property prediction and large-scale oracle-based protein docking. Overall, CoarsenConf generates more accurate conformer ensembles compared to prior generative models.

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

Can We Rely on Satellite Visible/Infrared Microphysical Retrievals of Boundary Layer Clouds in Partially Cloudy Scenes? Implications for Climate Research

This study addresses the longstanding question of the reliability of gridded visible/infrared satellite cloud properties in partially cloudy scenes. By using in-situ cloud probes and airborne Research Scanning Polarimeter (RSP) observations, we analyze bias changes in satellite retrievals from the Spinning Enhanced Visible Infra-Red Imager (SEVIRI) geostationary sensor during the ORACLES campaign. Biases in cloud optical depth (τ) and droplet effective radius (r e ) modestly change for cloud area fraction greater than 35%. The agreement between SEVIRI and RSP r e substantially improves when the retrievals are averaged after removing pixels with τ < 3.0, yielding biases indistinguishable from overcast scenes. In addition, satellite and RSP show an excellent agreement for closed- and open-cell stratocumulus clouds, showing that the satellite retrievals capture spatial changes of r e , and confirming that satellites can faithfully reproduce real physical features for optically thick and partially cloudy scenes. We demonstrate that a simple methodology can minimize uncertainties in satellite-based climate studies.

Painemal, David [NASA Langley Research Center, Ham↗
DOE OSTI2026

Model Sensitivities of Biomass-Burning Aerosol Chemical Aging, Sulfate Formation, and Cloud Droplet Activation in the Southeastern Atlantic Using CESM and E3SM

Biomass-burning smoke drives large uncertainty in climate projections of the Earth's radiative balance. This is due to the chemical and physical evolution of smoke and its impact on clouds and radiation. Here we focus on the southeastern Atlantic region and its inflow of African biomass-burning smoke during August 2017. We evaluate smoke properties and processes in two coupled earth-system models, the Energy Exascale Earth System Model (E3SM) and Community Earth System Model (CESM). These are compared against in situ aircraft observations from two field campaigns, ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES) and CLoud–Aerosol–Radiation Interaction and Forcing: Year 2017 (CLARIFY-2017). Observations reveal an increase and subsequent decrease in smoke mean diameter, and a steady decrease in the mass ratio of organic aerosol (OA) to black carbon aerosol (BC) (OA:BC) over 4–12 days of aging, neither captured by the base models. Implementation of a photolytic loss scheme for secondary organic aerosol (SOA)—as a proxy for other heterogeneous volatilization chemistry—and a ∼1-day conversion for primary OA to SOA significantly improves the representation of this loss. In the boundary layer, both models show dimethyl sulfide driving a large increase in the sulfate aerosol mass fraction from the free troposphere, which is consistent with observations. Finally, models tend to underpredict cloud droplet number concentration partially due to weak modeled turbulent updraft strength, and model performance improves when the parameterized turbulent updraft strength is increased substantially. These results are expected to provide insights into future model development to reduce climate model uncertainties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Derivative-free stochastic optimization via adaptive sampling strategies

In this paper, we present a novel derivative-free framework for solving unconstrained stochastic optimization problems. Many problems in fields ranging from simulation optimization to reinforcement learning to quantum computing involve settings where only stochastic function values are obtained via a zeroth-order oracle, which has no available gradient information and necessitates the usage of derivative-free optimization methodologies. Our approach includes estimating gradients using stochastic function evaluations and integrating adaptive sampling techniques to control the accuracy in these stochastic approximations. Our framework encapsulates several gradient estimation techniques, including standard finite-difference, Gaussian smoothing, sphere smoothing, randomized coordinate finite-difference, and randomized subspace finite-difference methods. We provide theoretical convergence guarantees for our framework and analyze the worst-case iteration and sample complexities associated with each gradient estimation method. Finally, we demonstrate the empirical performance of the methods on logistic regression and nonlinear least squares problems.

Adaptive sampling↗