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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

MUSE adaptive-optics spectroscopy confirms dual active galactic nuclei and strongly lensed systems at sub-arcsec separation

The novel Gaia multi peak (GMP) technique has proven to be able to successfully select dual and lensed active galactic nuclei (AGN) candidates at sub-arcsecond separations. Both populations are important because dual AGN represent one of the central, still largely untested, predictions of ΛCDM cosmology, and compact lensed AGN allow us to probe the central regions of the lensing galaxies. In this work, we present high-spatial-resolution spectroscopy of 12 GMP-selected systems. We used the adaptive-optics assisted integral-field spectrograph MUSE at the VLT to resolve each system and investigate the nature of each component. All targets show the presence of two components confirming the GMP selection. We classify 4 targets as dual AGN, 3 as lensed quasar candidates, and 5 as a chance alignment of a star and an AGN. With separations ranging from 0.30″ to 0.86″, these dual and lensed systems are among the most compact systems discovered to date at z > 0.5. This is the largest sample of distant dual AGN with sub-arcsecond separations ever presented in a single paper.

Scialpi, M. (ORCID:0009000651004986)↗
DOE OSTI2025

MINE: a new way to design genetics experiments for discovery

Abstract The Maximally Informative Next Experiment or MINE is a new experimental design approach for experiments, such as those in omics, in which the number of effects or parameters p greatly exceeds the number of samples n (p > n). Classical experimental design presumes n > p for inference about parameters and its application to p > n can lead to over-fitting. To overcome p > n, MINE is an ensemble method, which makes predictions about future experiments from an existing ensemble of models consistent with available data in order to select the most informative next experiment. Its advantages are in exploration of the data for new relationships with n < p and being able to integrate smaller and more tractable experiments to replace adaptively one large classic experiment as discoveries are made. Thus, using MINE is model-guided and adaptive over time in a large omics study. Here, MINE is illustrated in two distinct multiyear experiments, one involving genetic networks in Neurospora crassa and a second one involving a genome-wide association study in Sorghum bicolor as a comparison to classic experimental design in an agricultural setting.

Biochemistry & Molecular Biology↗
DOE OSTI2015

Towards an optimal flow: Density-of-states-informed replica-exchange simulations

Here we learn that replica exchange (RE) is one of the most popular enhanced-sampling simulations technique in use today. Despite widespread successes, RE simulations can sometimes fail to converge in practical amounts of time, e.g., when sampling around phase transitions, or when a few hard-to-find configurations dominate the statistical averages. We introduce a generalized RE scheme, density-of-states-informed RE, that addresses some of these challenges. The key feature of our approach is to inform the simulation with readily available, but commonly unused, information on the density of states of the system as the RE simulation proceeds. This enables two improvements, namely, the introduction of resampling moves that actively move the system towards equilibrium and the continual adaptation of the optimal temperature set. As a consequence of these two innovations, we show that the configuration flow in temperature space is optimized and that the overall convergence of RE simulations can be dramatically accelerated.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Distributed-Memory Sparse Deep Neural Network Inference Using Global Arrays

Partitioned Global Address Space (PGAS) models exhibit tremendous promise in developing efficient and productive distributed-memory parallel applications. They have been used extensively in scientific computations due to conveniently offering a ``shared-memory''-like model and convenient interfaces that separate communication with synchronization. Traditionally, PGAS communication models have been applied to dense/contiguously distributed data, but most modern applications depict varied levels of sparsity. Existing PGAS models require certain adaptations to support distributed sparse computations, since associated computations often require matrix arithmetic, in addition to data movement. The Global Arrays toolkit from Pacific Northwest National Laboratory (PNNL) is one of the earliest PGAS models to combine one-sided data communication and distributed matrix operations and is still used in the popular NWChem quantum chemistry suite. Recently, we have expanded the Global Arrays toolkit to support common sparse operations, like sparse matrix-dense matrix multiplies (SpMM), sparse matrix-sparse matrix multiplication (SpGEMM) and Sampled Dense-Dense Matrix Multiplication (SDDMM). As it turns out, these operations are the bedrock of sparse Deep Learning (DL); sparse deep neural networks and Graph Neural Networks (GNNs) have gained increasing attention recently in achieving speedups on training and inference with reduced memory footprints. Unlike scientific applications in High Performance Computing (HPC), modern (distributed-memory capable) DL toolkits often rely on non-standardized and closed-source vendor software optimizations, creating challenges in software-hardware co-design at scale. Our goal is to support a variety of distributed-memory sparse matrix operations and helper functions in the newly created Sparse Global Arrays (SGA), such that it is possible to build portable and productive Machine Learning scenarios for algorithm/software and hardware codesign purposes. Contemporary data-parallel schemes for training/inference are undergoing a major overhaul since model replication limits scalability and causes resource inefficiencies. As such, we have adopted tensor parallelism in decomposing the model and inputs, to mitigate memory issues. Current implementation is built on top of MPI and uses CPUs to maximize the portability across the platforms.

Distributed computing, machine learning↗
NASA NTRS2016

Biomolecule Sequencer: Next-Generation DNA Sequencing Technology for In-Flight Environmental Monitoring, Research, and Beyond

On the International Space Station (ISS), technologies capable of rapid microbial identification and disease diagnostics are not currently available. NASA still relies upon sample return for comprehensive, molecular-based sample characterization. Next-generation DNA sequencing is a powerful approach for identifying microorganisms in air, water, and surfaces onboard spacecraft. The Biomolecule Sequencer payload, manifested to SpaceX-9 and scheduled on the Increment 4748 research plan (June 2016), will assess the functionality of a commercially-available next-generation DNA sequencer in the microgravity environment of ISS. The MinION device from Oxford Nanopore Technologies (Oxford, UK) measures picoamp changes in electrical current dependent on nucleotide sequences of the DNA strand migrating through nanopores in the system. The hardware is exceptionally small (9.5 x 3.2 x 1.6 cm), lightweight (120 grams), and powered only by a USB connection. For the ISS technology demonstration, the Biomolecule Sequencer will be powered by a Microsoft Surface Pro3. Ground-prepared samples containing lambda bacteriophage, Escherichia coli, and mouse genomic DNA, will be launched and stored frozen on the ISS until experiment initiation. Immediately prior to sequencing, a crew member will collect and thaw frozen DNA samples, connect the sequencer to the Surface Pro3, inject thawed samples into a MinION flow cell, and initiate sequencing. At the completion of the sequencing run, data will be downlinked for ground analysis. Identical, synchronous ground controls will be used for data comparisons to determine sequencer functionality, run-time sequence, current dynamics, and overall accuracy. We will present our latest results from the ISS flight experiment the first time DNA has ever been sequenced in space and discuss the many potential applications of the Biomolecule Sequencer for environmental monitoring, medical diagnostics, higher fidelity and more adaptable Space Biology Human Research Program investigations, and even life detection experiments for astrobiology missions.

Sequencer↗
NASA NTRSDate not supplied

Generation of Land Surface Reflectance with Combined Geo-KOMPSAT-2A AMI and Himawari 8 AHI Observations

The latest generation of geostationary satellites has opened a new era of Earth observations with unprecedented spatiotemporal resolution and spectral range. Together with GOES 16/17 ABI, FY4-A AGRI, and Himawari-8 AHI, a new Korean geostationary satellite (Geo-KOMPSAT-2A AMI) has operationally collected a full-disk image in 16 channels every ten minutes since July 2019, allowing diurnal land surface monitoring over a large proportion of Asia and all of Oceania. Retrieving accurate surface reflectance (SR) over land from GK-2A/AMI is a challenging but high priority objective. One of the challenges is the absence of a spectral band in the 2.2 m SWIR range from AMI, which is required by many atmospheric correction algorithms to retrieve atmospheric aerosol properties. To remedy this issue, we adopt a strategy that combines concurrent GK-2A/AMI and Himawari 8/AHI observations in order to derive AMI SR. We have adapted the NASA Multi-Angle Implementation of Atmospheric Correction (MAIAC) algorithm to process the data stream from Himawari 8/AHI. The advantages of the MAIAC algorithm is its capability to exploit the high temporal frequency and varying illumination geometry of the geostationary data for advanced cloud/snow detection, aerosol retrieval, and characterization of surface bidirectional reflectance properties. Leveraging the similarities of spectral bands and the sun-target-sensor geometry between AMI and AHI, we are able to create denser time series of observations and enhanced BRDF samples over most of the spatial coverage of AMI (and AHI). The combined stereo-type observations not only help derive SR for AMI but also enhance retrievals of the corresponding AHI surface products. We evaluate the resulting AMI SR using ground (AERONET) observations and corresponding MODIS products. Further, we discuss potential challenges in utilizing the geostationary satellite data for land surface monitoring.

geostationary satellite↗
DOE OSTI2024

3D Geologic Framework Modelling of the Los Alamos National Laboratory Site and Pajarito Plateau: Integrating a realistic 3D fault network and modelling subsurface relationships in a sparsely sampled and complex geologic region

The subsurface geology beneath the Pajarito Plateau is critical to understanding the seismic hazard of the Pajarito Fault System, yet our understanding of this geology is relatively poor. While previous 3D geologic framework models of the area have been created for the purposes of understanding hydrogeologic flow, they are inadequate for the purposes of understanding the Pajarito Fault System. The specific challenges of using oil and gas software for this purpose include: (1) the geologic complexities resulting from volcanism and tectonism; (2) a need for a high level of stratigraphic detail over a large area; (3) a near complete lack of seismic data; and (4) sparse wellbore data. Presented here is a workflow that handles these challenges of adapting commercially available software used by the oil and gas industries to this seismic hazard problem.

58 GEOSCIENCES↗
DOE OSTI2019

X-Ray Stereo Digital Image Correlation

Digital Image Correlation (DIC) is a well-established, non-contact diagnostic technique used to measure shape, displacement and strain of a solid specimen subjected to loading or deformation. Yet, measurements using standard DIC can have significant errors or be completely infeasible in challenging experiments, such as explosive, combustion, or fluid-structure interaction applications, where beam-steering due to index of refraction variation biases measurements or where the sample is engulfed in flames or soot. To address these challenges, we propose using X-ray imaging instead of visible light imaging for stereo-DIC, since refraction of X-rays is negligible in many situations, and X-rays can penetrate occluding material. Two techniques of creating an appropriate pattern for X-ray DIC are presented, both based on adding a dense material in a random speckle pattern on top of a less-dense specimen. A standard dot-calibration target is adapted for X-ray imaging, allowing the common bundle-adjustment calibration process in commercial stereo-DIC software to be used. High-quality X-ray images with sufficient signal-to-noise ratios for DIC are obtained for aluminum specimens with thickness up to 22.2 mm, with a speckle pattern thickness of only 80 μm of tantalum. The accuracy and precision of X-ray DIC measurements are verified through simultaneous optical and X-ray stereo-DIC measurements during rigid in-plane and out-of-plane translations, where errors in the X-ray DIC displacements were approximately 2–10 μm for applied displacements up to 20 mm. Finally, a vast reduction in measurement error—5–20 times reduction of displacement error and 2–3 times reduction of strain error—is demonstrated, by comparing X-ray and optical DIC when a hot plate induced a heterogeneous index of refraction field in the air between the specimen and the imaging systems. Subsequently, these findings show the feasibility of using X-ray-based stereo-DIC for non-contact measurements in exacting experimental conditions, where optical DIC cannot be used.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

FunDiff: diffusion models over function spaces for physics-informed generative modeling

Recent advances in generative modeling-particularly diffusion models and flow matching-have been widely used for synthesizing discrete data such as images and videos. However, adapting these models to physical applications remains challenging, as the quantities of interest are continuous functions governed by complex physical laws. To address this, we introduce FunDiff, an efficient and robust framework for generative modeling in function spaces. FunDiff combines a latent diffusion process with a function autoencoder architecture to handle input functions with varying discretizations, generates continuous functions that can be evaluated at arbitrary locations, and seamlessly incorporate physical priors. These priors are enforced through architectural constraints or physics-informed loss functions, ensuring that generated samples satisfy fundamental physical laws. We theoretically establish minimax optimality guarantees for density estimation in function spaces, demonstrating that diffusion-based estimators achieve optimal convergence rates under suitable regularity conditions. We further demonstrate the practical effectiveness of FunDiff across diverse applications in fluid dynamics and solid mechanics. Empirical results indicate that our method can generate physically consistent samples with high fidelity to the target distribution, and exhibit robustness to noisy and low-resolution data.

Wang, Sifan [Yale University, New Haven, CT (Unite↗
DOE OSTI2018

Next-generation diamond cell and applications to single-crystal neutron diffraction

In this paper, a diamond cell optimized for single-crystal neutron diffraction is described. It is adapted for work at several of the single-crystal diffractometers of the Spallation Neutron Source and the High Flux Isotope Reactor at the Oak Ridge National Laboratory (ORNL). A simple spring design improves portability across the facilities and affords load maintenance from offline pressurization and during temperature cycling. Compared to earlier prototypes, pressure stability of polycrystalline diamond (Versimax®) has been increased through double-conical designs and ease of use has been improved through changes to seat and piston setups. These anvils allow ~30%-40% taller samples than possible with comparable single-crystal anvils. Hydrostaticity and the important absence of shear pressure gradients have been established with the use of glycerin as a pressure medium. Large single-crystal synthetic diamonds have also been used for the first time with such a clamp-diamond anvil cell for pressures close to 20 GPa. The cell is made from a copper beryllium alloy and sized to fit into ORNL’s magnets for future ultra-low temperature and high-field studies. Finally, we show examples from the Spallation Neutron Source’s SNAP and CORELLI beamlines and the High Flux Isotope Reactor’s HB-3A and IMAGINE beamlines.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Biases on cosmological parameter estimators from galaxy cluster number counts

Sunyaev-Zel'dovich (SZ) surveys are promising probes of cosmology — in particular for Dark Energy (DE) —, given their ability to find distant clusters and provide estimates for their mass. However, current SZ catalogs contain tens to hundreds of objects and maximum likelihood estimators may present biases for such sample sizes. In this work we study estimators from cluster abundance for some cosmological parameters, in particular the DE equation of state parameter w{sub 0}, the amplitude of density fluctuations σ{sub 8}, and the Dark Matter density parameter Ω{sub c}. We begin by deriving an unbinned likelihood for cluster number counts, showing that it is equivalent to the one commonly used in the literature. We use the Monte Carlo approach to determine the presence of bias using this likelihood and study its behavior with both the area and depth of the survey, and the number of cosmological parameters fitted. Our fiducial models are based on the South Pole Telescope (SPT) SZ survey. Assuming perfect knowledge of mass and redshift some estimators have non-negligible biases. For example, the bias of σ{sub 8} corresponds to about 40% of its statistical error bar when fitted together with Ω{sub c} and w{sub 0}. Including a SZ mass-observable relation decreases the relevance of the bias, for the typical sizes of current SZ surveys. Considering a joint likelihood for cluster abundance and the so-called ''distance priors'', we obtain that the biases are negligible compared to the statistical errors. However, we show that the biases from SZ estimators do not go away with increasing sample sizes and they may become the dominant source of error for an all sky survey at the SPT sensitivity. Finally, we compute the confidence regions for the cosmological parameters using Fisher matrix and profile likelihood approaches, showing that they are compatible with the Monte Carlo ones. The results of this work validate the use of the current maximum likelihood methods for present SZ surveys, but highlight the need for further studies for upcoming experiments. To perform the analyses of this work, we developed fast, accurate, and adaptable codes for cluster counts in the framework of the Numerical Cosmology Library.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Reconstructing three-dimensional protein crystal intensities from sparse unoriented two-axis X-ray diffraction patterns

Recently, there has been a growing interest in adapting serial microcrystallography (SMX) experiments to existing storage ring (SR) sources. For very small crystals, however, radiation damage occurs before sufficient numbers of photons are diffracted to determine the orientation of the crystal. The challenge is to merge data from a large number of such `sparse' frames in order to measure the full reciprocal space intensity. To simulate sparse frames, a dataset was collected from a large lysozyme crystal illuminated by a dim X-ray source. The crystal was continuously rotated about two orthogonal axes to sample a subset of the rotation space. With the EMC algorithm [expand–maximize–compress; Loh & Elser (2009). Phys. Rev. E , 80 , 026705], it is shown that the diffracted intensity of the crystal can still be reconstructed even without knowledge of the orientation of the crystal in any sparse frame. Moreover, parallel computation implementations were designed to considerably improve the time and memory scaling of the algorithm. The results show that EMC-based SMX experiments should be feasible at SR sources.

Chemistry↗
DOE OSTI2017

Statistical Inference for Porous Materials using Persistent Homology.

We propose a porous materials analysis pipeline using persistent homology. We rst compute persistent homology of binarized 3D images of sampled material subvolumes. For each image we compute sets of homology intervals, which are represented as summary graphics called persistence diagrams. We convert persistence diagrams into image vectors in order to analyze the similarity of the homology of the material images using the mature tools for image analysis. Each image is treated as a vector and we compute its principal components to extract features. We t a statistical model using the loadings of principal components to estimate material porosity, permeability, anisotropy, and tortuosity. We also propose an adaptive version of the structural similarity index (SSIM), a similarity metric for images, as a measure to determine the statistical representative elementary volumes (sREV) for persistence homology. Thus we provide a capability for making a statistical inference of the uid ow and transport properties of porous materials based on their geometry and connectivity.

36 MATERIALS SCIENCE↗
NASA NTRS1991

The role of the remotely augmented vehicle (RAV) laboratory in flight research

This paper presents on overview of the unique capabilities and historical significance of the Remotely Augmented Vehicle (RAV) Laboratory at the NASA Dryden Flight Research Facility. The report reviews the role of the RAV Laboratory in enhancing flight test programs and efficient testing of new aircraft control laws. The history of the RAV Laboratory is discussed with a sample of its application using the X-29 aircraft. The RAV Laboratory allows for closed- or open-loop augmentation of the research aircraft while in flight using ground-based, high performance real-time computers. Telemetry systems transfer sensor and control data between the ground and the aircraft. The RAV capability provides for enhanced computational power, improved flight data quality, and alternate methods for the testing of control system concepts. The Laboratory is easily reconfigured to reflect changes within a flight program and can be adapted to new flight programs.

Cohen, Dorothea↗
NASA NTRS2007

Communication system with adaptive noise suppression

A signal-to-noise ratio dependent adaptive spectral subtraction process eliminates noise from noise-corrupted speech signals. The process first pre-emphasizes the frequency components of the input sound signal which contain the consonant information in human speech. Next, a signal-to-noise ratio is determined and a spectral subtraction proportion adjusted appropriately. After spectral subtraction, low amplitude signals can be squelched. A single microphone is used to obtain both the noise-corrupted speech and the average noise estimate. This is done by determining if the frame of data being sampled is a voiced or unvoiced frame. During unvoiced frames an estimate of the noise is obtained. A running average of the noise is used to approximate the expected value of the noise. Spectral subtraction may be performed on a composite noise-corrupted signal, or upon individual sub-bands of the noise-corrupted signal. Pre-averaging of the input signal's magnitude spectrum over multiple time frames may be performed to reduce musical noise.

Kozel, David↗
DOE OSTI2020

An Improved Risk Priority Measure for the Management of Project Risk

Monte Carlo-based project risk models are essential tools in project risk management, particularly for large, complex projects in which it is difficult to glean intuitively the importance of individual risks to the overall project. Conventional correlation-based methods for measuring the importance of contributing risks in such models are argued here to be both statistically flawed and unintuitive in the importance metrics they produce. Drawing on and adapting methods more traditionally associated with engineering risk models, Risk Reduction Worth (RRW) is introduced as an importance measure. RRW is shown to be statistically robust and provide an easily interpretable, quantitative measure of the importance of a risk to the overall performance of a project; specifically, measuring the extent to which removal of a risk would improve confidence in project outcomes. To ensure practicality of the method, an approach is described in which RRWs can be produced for all contributing risks based on a single Monte Carlo sample. This is demonstrated through application to a large, complex project risk model from which intuitive risk importance insights provide a robust, transparent basis for the allocation of risk management resources.

Risk↗
DOE OSTI2022

Surrogate modeling for efficiently, accurately and conservatively estimating measures of risk

We present a surrogate modeling framework for conservatively estimating measures of risk from limited realizations of an expensive physical experiment or computational simulation. Risk measures combine objective probabilities with the subjective values of a decision maker to quantify anticipated outcomes. Given a set of samples, we construct a surrogate model that produces estimates of risk measures that are always greater than their empirical approximations obtained from the training data. These surrogate models limit over-confidence in reliability and safety assessments and produce estimates of risk measures that converge much faster to the true value than purely sample-based estimates. We first detail the construction of conservative surrogate models that can be tailored to a stakeholder’s risk preferences and then present an approach, based on stochastic orders, for constructing surrogate models that are conservative with respect to families of risk measures. Our surrogate models include biases that permit them to conservatively estimate the target risk measures. We provide theoretical results that show that these biases decay at the same rate as the L 2 error in the surrogate model. Numerical demonstrations confirm that risk-adapted surrogate models do indeed overestimate the target risk measures while converging at the expected rate.

42 ENGINEERING↗
DOE OSTI2025

Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution

Time-resolved X-ray crystallography has great promise to illuminate structure–function relations and key steps of enzymatic reactions with atomic resolution. The dominant methods for chemically-initiated reactions require complex instrumentation at the X-ray beamline, significant effort to operate and maintain this instrumentation, and enormous numbers (∼10 5 –10 9 ) of crystals per time point. We describe instrumentation and methods that enable high-throughput time-resolved study of biomolecular systems using standard crystallography sample supports and mail-in X-ray data collection at standard high-throughput cryocrystallography synchrotron beamlines. The instrumentation allows rapid reaction initiation by mixing of crystals and substrate/ligand solution, rapid capture of structural states via thermal quenching with no pre-cooling perturbations, and yields time resolutions in the single-millisecond range, comparable to the best achieved by any non-photo-initiated method in both crystallography and cryo-electron microscopy. Our approach to reaction initiation has the advantages of simplicity, robustness, low cost, adaptability to diverse ligand solutions and small minimum volume requirements, making it well suited to routine laboratory use and to high-throughput screening. We report the detailed characterization of instrument performance, present structures of binding of N -acetylglucosamine to lysozyme at time points from 8 ms to 2 s determined using only one crystal per time point, and discuss additional improvements that will push time resolution toward 1 ms.

Indergaard, John A. (ORCID:000000022367699X)↗