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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electronic Scanning Strategies in Adaptive Electrical Capacitance Volume Tomography: Tradeoffs and Prospects

Electrical Capacitance Volume Tomography (ECVT) has been applied for imaging of multiphase flows found in industrial applications. The ill-posed nature of the image reconstruction problem in ECVT and the consequent low resolution can be alleviated by employing electronic scanning enabled by electrode segmentation and reconfiguration during data acquisition. Here we study electronic scanning strategies that mimic physical rotation and shifting of the sensor along its symmetry axis. First, we study the feasibility of electronic scanning by analyzing the capacitance transducer circuit in SPICE. Then, we simulate electronic scanning using the finite element method for different electrode shapes, for which we compare the image reconstruction results and acquisition time. We find a noticeable improvement in image resolution for the scanning cases over conventional ECVT. Lastly, among the scanning cases, we emphasize a particular electrode shape that provides the best image resolution along with the minimal amount of acquisition time.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Direct Imaging of Hydrogen‐Driven Dislocation and Strain Field Evolution in a Stainless Steel Grain

Hydrogen embrittlement (HE) poses a significant challenge to the durability of materials used in hydrogen production and utilization. Disentangling the competing nanoscale mechanisms driving HE often relies on simulations and electron-transparent sample techniques, limiting experimental insights into hydrogen-induced dislocation behavior in bulk materials. This study employs in situ Bragg coherent X-ray diffraction imaging to track three-dimensional (3D) dislocation and strain field evolution during hydrogen charging in a bulk grain of austenitic 316 stainless steel. Tracking a single dislocation reveals hydrogen-enhanced mobility and relaxation, consistent with dislocation dynamics simulations. Subsequent observations reveal dislocation unpinning and climb processes, likely driven by osmotic forces. Additionally, nanoscale strain analysis around the dislocation core directly measures hydrogen-induced elastic shielding. These findings experimentally validate theoretical predictions and offer mechanistic insights into hydrogen-driven dislocation behavior. The quantified nanoscale phenomena serve as critical inputs for multiscale modeling frameworks to predict bulk material responses and accelerate the development of HE-resistant alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

The role of cool-flame fluctuations in high-pressure spray flames, studied using high-speed optical diagnostics and Large-Eddy Simulations

Here this work investigates the low- and high-temperature ignition and combustion processes, applied to the Engine Combustion Network Spray A flame, combining advanced optical diagnostics and large-eddy simulations (LES). Simultaneous high-speed (50 kHz) formaldehyde (CH 2 0) planar laser-induced fluorescence (PLIF) and line-of-sight OH* chemiluminescence imaging were used to measure the low- and high-temperature flame, during ignition as well as during quasi-steady combustion. While tracking the cool flame at the laser sheet plane, the present experimental setup allows detection of distinct ignition spots and dynamic fluctuations of the lift-off length over time, which overcomes limitations for flame tracking when using schlieren imaging. After significant development to improve LES prediction of the low-and high-temperature flame position, both during the ignition processes and quasi-steady combustion, the simulations were analyzed to gain understanding of the mixture variance and how this variance affects formation/consumption of CH 2 0. Analysis of the high-temperature ignition period shows that a key improvement in the LES is the ability to predict heterogeneous ignition sites, not only in the head of the jet, but in shear layers at the jet edge close to the position where flame lift-off eventually stabilizes. The LES analysis also shows concentrated pockets of CH 2 0, in the center of jet and at 20 mm downstream of the injector (in regions where the equivalence ratio is greater than 6), that are of similar length scale and frequency as the experiment (approximately 5–6 kHz). The periodic oscillation of CH 2 0 match the frequency of pressure waves generated during auto-ignition and reflected within the constant-volume vessel throughout injection. The ability of LES to capture the periodic appearance and destruction of CH 2 0 is particularly important because these structures travel downstream and become rich premixed flames that affect soot production.

42 ENGINEERING↗
DOE OSTI2023

Fast Algorithms for Scientific Data Compression

Many scientific simulations and experiments generate terabytes to petabytes of data daily, necessitating data compression techniques. Unlike video and image compression, scientists require methods that accurately preserve primary data (PD) and derived quantities of interest (QoIs). In our previous work, we demonstrated the effectiveness of hybrid compression techniques that combine machine learning with traditional approaches. This paper presents innovative computational techniques aimed at expediting the compression pipeline. Our experiments, conducted on two distinct platforms with a large-scale XGC-based fusion simulation, demonstrate that the overhead incurred by these new approaches is less than one percent of the computational resources needed for the simulation.

Banerjee, Tania↗
DOE OSTI2022

AtomAI framework for deep learning analysis of image and spectroscopy data in electron and scanning probe microscopy

Over the past several decades, electron and scanning probe microscopes have become critical components of condensed matter physics, materials science and chemistry research. At the same time, the infrastructure for establishing a connection between microscopy observations and materials behaviour over a broader parameter space is lacking. In this work, we introduce AtomAI, an open-source software package bridging instrument-specific Python libraries, deep learning and simulation tools into a single ecosystem. AtomAI allows direct applications of deep neural networks for atomic and mesoscopic image segmentation converting image and spectroscopy data into class-based local descriptors for downstream tasks such as statistical and graph analysis. For atomically resolved imaging data, the output is types and positions of atomic species, with an option for subsequent refinement. AtomAI further allows the implementation of a broad range of image and spectrum analysis functions, including invariant variational autoencoders for disentangling structural factors of variation and im2spec type of encoder–decoder models for mapping structure–property relationships. Finally, our framework allows seamless connection to the first principles modelling with a Python interface on the inferred atomic positions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solar Contamination in Extreme-precision Radial-velocity Measurements: Deleterious Effects and Prospects for Mitigation

Solar contamination, due to moonlight and atmospheric scattering of sunlight, can cause systematic errors in stellar radial velocity (RV) measurements that significantly detract from the ∼10 cm s{sup −1} sensitivity required for the detection and characterization of terrestrial exoplanets in or near habitable zones of Sun-like stars. The addition of low-level spectral contamination at variable effective velocity offsets introduces systematic noise when measuring velocities using classical mask-based or template-based cross-correlation techniques. Here we present simulations estimating the range of RV measurement error induced by uncorrected scattered sunlight contamination. We explore potential correction techniques, using both simultaneous spectrometer sky fibers and broadband imaging via coherent fiber imaging bundles, that could reliably reduce this source of error to below the photon-noise limit of typical stellar observations. We discuss the limitations of these simulations, the underlying assumptions, and mitigation mechanisms. We also present and discuss the components designed and built into the NEID (NN-EXPLORE Exoplanet Investigations with Doppler spectroscopy) precision RV instrument for the WIYN 3.5 m telescope, to serve as an ongoing resource for the community to explore and evaluate correction techniques. We emphasize that while “bright time” has been traditionally adequate for RV science, the goal of 10 cm s{sup −1} precision on the most interesting exoplanetary systems may necessitate access to darker skies for these next-generation instruments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

A Dataset of 3D Structural and Simulated Transport Properties of Complex Porous Media

Physical processes that occur within porous materials have wide-ranging applications including - but not limited to - carbon sequestration, battery technology, membranes, oil and gas, geothermal energy, nuclear waste disposal, water resource management. The equations that describe these physical processes have been studied extensively; however, approximating them numerically requires immense computational resources due to the complex behavior that arises from the geometrically-intricate solid boundary conditions in porous materials. Here, we introduce a new dataset of unprecedented scale and breadth, DRP-372: a catalog of 3D geometries, simulation results, and structural properties of samples hosted on the Digital Rocks Portal. The dataset includes 1736 flow and electrical simulation results on 217 samples, which required more than 500 core years of computation. This data can be used for many purposes, such as constructing empirical models, validating new simulation codes, and developing machine learning algorithms that closely match the extensive purely-physical simulation. This article offers a detailed description of the contents of the dataset including the data collection, simulation schemes, and data validation.

3D images↗
DOE OSTI2020

Charged Wellbore Casing Controlled Source Electromagnetics (CWC-CSEM) for Reservoir Imaging and Monitoring (Final report)

This project addresses the needs of the U.S. Department of Energy (DOE) to develop advanced monitoring technologies and protocols to track the fate of subsurface carbon dioxide (CO2) plumes for carbon storage. Specifically, the project seeks to develop and test a unique and novel system of technologies consisting of electromagnetic data acquisition, coupled multiphysics imaging, and reservoir model enhancement to understand the migration and long-term distribution of CO2 in the subsurface. The overarching objective is to develop an integrated approach for long term monitoring of carbon storage. The two main components of the project include the methodology development and the test of the method at a field site. The methodology component consists of 1) developing the field procedure and protocol for collecting time-lapse controlled-source electromagnetic (CSEM) data with source electric current injected into the subsurface through wellbore casings; 2) building of background 3D electrical conductivity utilizing multiple sources of data such as supplemental surface transient EM (TEM) surveys, well-logs, and seismic structural information, for enhancing CSEM signal from reservoir depths; and 3) coupled multiphysics simulations and inversion of CSEM data constrained by production data and by structural information from seismic imaging of the reservoir and overlying formations. The testing component used the field site of Bell Creek Oil Field, which served both as a field laboratory for the method development as well as a test site to evaluate the CSEM signal strengths and the methodology developed in this research project. We have accomplished all the proposed tasks and developed the methodology as planned. These include the procedure for time-lapse CSEM data acquisition, data processing techniques, integration with 3D conductivity model building, fast reservoir simulation for history matching using machine learning, and interpreting CSEM data with coupling to the reservoir modeling. Collectively, the outcome of these tasks form a coherent workflow that can be applied to monitor dedicated carbon storage in saline reservoirs. The testing component evaluated the applicability and limitations of the method, and concluded that the method would be ideal for monitoring dedicated carbon storage sites utilizing saline reservoirs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Modeling and simulation study for the design of the Fuel Interrogation and Examination using Submersible Tomography Analysis Mk II instrument

Here, the design of a submersible, gamma-ray tomography system for imaging irradiated nuclear fuel is described. The system—named Fuel Interrogation and Examination using Submersible Tomography Analysis (FIESTA) Mk. II—is a variation on a previous Mk. I I design, which was developed to non-destructively image fuel capsules irradiated in the Advanced Test Reactor at the Idaho National Laboratory. The FIESTA system uses a combination of transmission computed tomography and emission computed tomography to image the restructuring and fission product migration at different points of burnup. Changes made to FIESTA Mk. I reflect the revised design requirements and a need to reduce background noise, largely originating from downscattered photons from fuel and transmission source. The computational design and radiation transport simulations are described.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2023

Multiscale numerical investigation of ratchet growth damage effects in PBX 9502

This paper presents results of numerical experiments conducted on the high explosive PBX 9502 to investigate how recently observed grain-scale damage mechanisms of ratchet growth affect uniaxial compression measurements. Simulations are multiscale in the sense of directly resolving grains, pores, cracks, and grain-interfaces based upon scanning electron microscope (SEM) images of damaged and undamaged samples. The combined finite-discrete element method (FDEM) is utilized to resolve both grain-scale microfracture and elastoplastic deformation of solid grains. Pristine (undamaged) and damaged microstructures are compared in simulation of unconfined compression tests of the same material from the literature. Here, the simulation results show the observed microscale mechanisms of damage, specifically microfracture predominantly around and sometimes through grains and crack-associated pore growth, can well-explain the effective degradation of strength and stiffness observed in the laboratory measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2021

An Extended Halo-based Group/Cluster Finder: Application to the DESI Legacy Imaging Surveys DR8

We extend the halo-based group finder developed by Yang et al. (2005c) to use data simultaneously with either photometric or spectroscopic redshifts. A mock galaxy redshift survey constructed from a high-resolution N-body simulation is used to evaluate the performance of this extended group finder. For galaxies with magnitude z ≤ 21 and redshift 0 < z ≤ 1.0 in the DESI legacy imaging surveys (the Legacy Surveys), our group finder successfully identifies more than 60% of the members in about 90% of halos with mass ≳10 12.5 h –1 M ⊙ . Detected groups with mass ≳10 12.0 h –1 M ⊙ have a purity (the fraction of true groups) greater than 90%. The halo mass assigned to each group has an uncertainty of about 0.2 dex at the high-mass end ≳10 13.5 h –1 M ⊙ and 0.45 dex at the low-mass end. Groups with more than 10 members have a redshift accuracy of ~0.008. We apply this group finder to the Legacy Surveys DR8 and find 6.4 million groups with at least three members. About 500,000 of these groups have at least 10 members. Furthermore, the resulting catalog containing 3D coordinates, richness, halo masses, and total group luminosities is made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Innovative approaches to neutron beam optimization: A case study of FP14 at LANSCE

This paper describes an experimental method to acquire high resolution energy- and spatially- resolved neutron beam spots using the time-gated neutron imaging system with Teledyne Pi-MAX4 camera. These experimental data offer a unique opportunity for benchmarking beam spot simulations. High-quality simulations depend significantly on a high-fidelity geometry model, which can be challenging for legacy facilities. We informed our MCNPX geometry model by latest metrology survey employing Leica laser tracker ATS600. It gave us a high fidelity description of our facility geometry. Such a robust integration of novel tools and methods yields a previously unattainable level of accuracy in both predicting and capturing neutron beam spots, marking a notable advancement over traditional methods reliant on static image plates. Here, to demonstrate the practical application of these tools, we are showing a non-uniform beam spot challenge at our Flight Path 14 (FP14) at the Los Alamos Neutron Science Center (LANSCE). Our precise MCNPX prediction of beam spot shifting as function of neutron energy was confirmed by experimental beam spot measured with extremely high level of detail. Results of this research demonstrate a significant leap in neutron beam optimization at LANSCE and set a new benchmark in beam spot characterization. The advanced methods presented here have potential for adoption at similar research facilities worldwide, aiming at substantial improvement in neutron beam delivery for experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Advanced Photovoltaic Module Characterization: Using Image Transformers for Current–Voltage Curve Prediction From Electroluminescence Images

Individual photovoltaic (PV) module health monitoring can be a daunting task for operation and maintenance of solar farms. Modules can be inspected through luminescence, thermal imaging, and current–voltage (I–V) curve analyzes for identification of damage and power loss. I–V curves provide easily interpretable data to determine module health as they directly provide electrical performance metrics. However, in order to obtain these curves, modules must be disconnected from the array and either removed to a solar simulator or characterized in situ with corrections for module temperature, the incident solar spectrum, and intensity. Luminescence or thermal images of a module are relatively easy to acquire in situ. Electroluminescence (EL) images highlight physical defects in the modules but do not provide easily interpretable features to correlate with electrical performance. This work presents a SWin transformer network to predict I–V curves for PV modules from their corresponding EL images. The predicted I–V curves allow the accurate prediction of the maximum power point (MPP), short-circuit current I sc , and open-circuit voltage V oc with a mean error less of than 1%. Comparing single diode model (SDM) parameters extracted from the predicted curves to those extracted from the true curves, the series resistance R s demonstrates a mean error of 5.19%, and the photocurrent I a mean error of 0.197%. The shunt resistance R sh and dark current Io parameters are predicted with larger errors because of their sensitivity to small changes in the I–V curve.

Byford, Brandon K. [New Mexico State Univ., Las Cr↗
DOE OSTI2023

Root exudates induced coupled carbon and phosphorus cycling in a soil with low phosphorus availability

The amount and type of root exudates can influence P availability in the rhizosphere directly by desorption or dissolution of soil minerals, or indirectly by decomposition of soil organic matter (SOM). Here this study aimed to determine the mechanisms by which specific root exudates influence the distribution and availability of P in soils with low P availability. Water, glucose, alanine, and oxalate were delivered through a simulated root into soils for 15 days. Zymography and planar optodes were used to image potential phosphatase activity, and O2 and pH distribution, respectively. Soils were analyzed for resin extractable inorganic P (Pi), dissolved organic C (DOC), water soluble Fe, and Al, and microbial community structure. Characterization of SOM and P were conducted using ultra-high resolution mass spectrometry and 31P solution nuclear magnetic resonance (NMR), respectively. The addition of oxalate resulted in the greatest resin extractable Pi, DOC, and water-soluble Fe, and Al compared to the other exudates suggesting destabilization of mineral associated organic matter (MAOM) and release of organic P (Po). Both 31P solution NMR and ultra-high resolution mass spectrometry analysis provided evidence of mineralization of Po released from the destabilization of MAOM. The study demonstrates the important role microbial and plant-derived metal chelating ligands play in destabilizing MAOM, releasing SOM and importantly Po, that when mineralized may contribute to increasing Pi availability in soils with low P availability.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Experimentally validated high-fidelity simulations of a liquid jet in supersonic crossflow

Here, utilizing recent advancements in computational schemes for compressible, multiphase flows, this work features a parametric study of a pure liquid jet in supersonic crossflow that involves simulating the atomization process for four values of momentum-flux ratio. These simulations are validated against experimental results measured with high-speed X-ray imaging, which confirm the accuracy of the numerical approach. Also, the effect of numerical resolution on some flow behavior is investigated, revealing convergence of the jet shape and surface instability wavelength. Analysis of the resulting sprays includes statistical descriptions of the liquid distribution, liquid structures created through breakup, interfacial instabilities, and dominant flow features. As the flowrate increases, the spray penetrates further, it becomes more disperse, and less liquid impacts the wall, but the droplet size distribution changes little. The wavelength of instabilities on the windward side of the jet diverges from measured trends in subsonic crossflows. In a visualization of the time-averaged flow, counter-rotating vortices are observed along the jet core and in the wake, affecting the process of primary atomization and early droplet trajectories.

42 ENGINEERING↗
DOE OSTI2025

Characterization of the optical model of the T2K 3D segmented plastic scintillator detector unit cube

The magnetized near detector (ND280) of the T2K long-baseline neutrino oscillation experiment has been recently upgraded aiming to satisfy the requirement of reducing the systematic uncertainty from measuring the neutrino–nucleus interaction cross section, which is the largest systematic uncertainty in the search for leptonic charge-parity symmetry violation. A key component of the upgrade is SuperFGD, a 3D segmented plastic scintillator detector made of approximately 2,000,000 optically-isolated 1 cm 3 cubes. The SuperFGD cube unit shows promising optical performance, including a high light yield of about 40 photoelectrons (p.e.) per channel, a low cube-to-cube crosstalk rate below 3%, and a sub-nanosecond time resolution of 0.96 ns. By combining tracking and stopping power measurements of final state particles, this novel detector enables precise 3D-imaging of GeV neutrino interactions with reduced systematic uncertainties. A detailed Geant4 based optical simulation of the SuperFGD building block, i.e. a plastic scintillating cube read out by three wavelength shifting fibers, has been developed and validated with the different datasets collected in various beam tests. In this manuscript the description of the optical model as well as the comparison with data are reported.

Neutrino oscillations↗
DOE OSTI2023

NWChem: Recent and Ongoing Developments

In this paper we summarize developments in the NWChem computational chemistry suite since the last major release (NWChem 7.0). Specifically, we focus on functionalities, along with input blocks, that are currently accessible in the current stable release (NWChem 7.2) and master branches, interfaces to quantum computing simulators, interfaces to external libraries, the NWChem GitHub repository, and containerization of NWChem executable images. In conclusion, some of the ongoing developments that will be available in the near future are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗