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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Applicability of 1D site response analysis to shallow sedimentary basins: A critical evaluation through physics-based 3D ground motion simulations

One-dimensional site response analysis (1D SRA) remains the standard practice in considering the effect of local soil deposits and predicting site-specific ground motions, although its range of applicability to realistic seismic wavefields is still in question. In this 1D approach, horizontal and vertical ground shaking are assumed to be induced by vertically propagating shear and compressional waves, respectively. A recent study based on analytical two-dimensional (2D) plane waves and simple point source earthquake simulations has shown two mechanistic limitations in this 1D modelling technique for general inclined seismic waves, that is, systematic over-prediction of the vertical motion and wave trapping in the 1D soil column. In this article, we evaluate in detail the applicability of this 1D modelling approach to realistic three-dimensional (3D) simulated seismic wavefields in shallow sedimentary basins. Linear-viscoelastic 1D SRA predictions using two types of input motions that are commonly used in practice—rock outcrop and in-column motions, are compared with the reference true site response results from 3D earthquake simulations in terms of various measures in the frequency and time domain. It is shown that the horizontal motion in the 3D seismic wavefield exhibits dominant shear wave propagation phenomenon, while the vertical motion is a combined effect of compressional and shear waves and can be over-predicted by the 1D approach when the incident seismic waves are inclined. Direct evidence of the wave refraction process that leads to the vertical motion over-prediction is provided. 1D SRA with in-column inputs can yield motions that have significantly longer duration compared to the true 3D site response solution due to trapped waves, casting in doubt the frequent need for increased soil damping in existing site studies to compensate for wave attenuation due to scattering alone. Sensitivity investigation on the increase of soil profile damping by a multiplier D mul shows D mul values compatible with those found in the literature for both horizontal and vertical motions. It is shown that the level of D mul optimized for a best match of the spectral acceleration is dependent on the characteristic of the input motion and a larger D mul is typically required for the vertical component. In contrast, 1D SRA with outcrop motions predicts motions with shorter significant duration due to its inability to capture the basin-edge generated surface waves. A suite of ground motion simulations was performed to assess the sensitivity of the observations to the basin geologic structure including the velocity gradient, rock-basin impedance contrast and basin depth. The analysis results show that the accuracy of the simplified 1D procedure is dependent on the wavefield composition of both the input motions and the true 3D site response solution. While the horizontal motions in shallow sedimentary basins can, to the first order, be reasonably captured by the simplified 1D approach, 1D SRA for the vertical component is in general not reliable and contributions from inclined shear waves should be accounted for in site-specific evaluation of the vertical design ground motion.

1D assumption↗
DOE OSTI2022

Deep learning to estimate permeability using geophysical data

Time-lapse electrical resistivity tomography (ERT) is a popular geophysical method to estimate three-dimensional (3D) permeability fields from electrical potential difference measurements. Traditional inversion and data assimilation methods are used to ingest this ERT data into hydrogeophysical models to estimate permeability. Due to ill-posedness and the curse of dimensionality, existing inversion strategies provide poor estimates and low resolution of the 3D permeability field. Recent advances in deep learning provide us with powerful algorithms to overcome this challenge. This paper presents a deep learning (DL) framework to estimate the 3D subsurface permeability from time-lapse ERT data. To test the feasibility of the proposed framework, we train DL-enabled inverse models on simulation data. Each measurement in both synthetic and field data is standardized by removing the mean and scaling the time-series to unit variance. This pre-processing step is necessary to bring simulation data closer to field observations. Subsurface process models based on hydrogeophysics are used to generate this synthetic data. Training performed on limited simulation data resulted in the DL model over-fitting. An advanced data augmentation based on mixup is implemented to generate additional training samples to overcome this issue. This mixup technique creates weakly labeled (low-fidelity) samples from strongly labeled (high-fidelity) data. The weakly labeled training data is then used to develop DL-enabled inverse models and reduce over-fitting. As both time-lapse ERT (1133048 features/realization) and 3D permeability (585453 features/realization) data samples are from a high-dimensional space, principal component analysis (PCA) is employed to reduce dimensionality. Encoded ERT and encoded permeability are generated using the trained PCA estimators. A deep neural network is then trained to map the encoded ERT to encoded permeability. This mixup training and unsupervised learning allowed us to build a fast and reasonably accurate DL-based inverse model under limited simulation data. Results show that proposed weak supervised learning can capture salient spatial features in the 3D permeability field. Quantitatively, the average mean squared error (in terms of the natural log) on the strongly labeled training, validation, and test datasets is less than 0.5. The R 2 -score (global metric) is greater than 0.75, and the percent error in each cell (local metric) is less than 10%. Finally, an added benefit in terms of computational cost is that the proposed DL-based inverse model is at least O(10 4 ) times faster than running a forward model once it is trained. Data generation, DL model training, and hyperparameter tuning to identify optimal neural network architectures utilized high-performance computing resources while the DL inference is performed on a standard laptop. Approximately, O(10 5 ) processor hours are used for generating data and DL tuning and training. We acknowledge that the data generation and DL model development are expensive. But once a DL model is trained, it can be re-used for inversion rapidly for the given system, with set physics and domain. Note that traditional inversion may require multiple forward model simulations (e.g., in the order of 10 to 1000), which are very expensive. This computational savings ≈ O(10 5 ) – O(10 7 )) makes the proposed DL-based inverse model attractive for subsurface imaging and real-time ERT monitoring applications due to fast and yet reasonably accurate estimations of permeability field.

58 GEOSCIENCES↗
DOE OSTI2025

New Mobility Technology Assessment - Benefits, Risks, and Safety

The age of vehicle automation is upon us. The fundamental perception and control technology is maturing as we speak (and write) with robo-taxis proliferating in select US cities. The news cycle is no longer filled with technological skepticism, but rather societal commentary on our collective response and use of the technology. This maturing of the technology is also accompanied by a renaissance in new types of urban movement technology to more effectively link people with goods, services, and employment, particularly in dense development areas where vehicle congestion (even automated vehicles) prevents high quality mobility. The National Renewable Energy Laboratory, through the DOE Clean Energy to Communities (C2C) program has worked with two jurisdictions to assess the benefits, risks, and safety concerns for a new product offering based on suspended cable technology which is fully automated and proposes an aerial network of self-propelled gondolas. The recognized need, independent of the technology, is to fairly assess the benefits of the proposed transportation system, assess its technical maturity, as well as risks and safety concerns. Using this new technology as an example, a technology represented by Swyft Cities, NREL developed a succession of mini-studies that characterized the technical maturity level, assessed the proposed benefits for Greenville, SC, examined the risks involved in moving forward with an emerging mobility technology, and determined the governing safety protocols and standards that are applicable to the space. These mini-case studies, though centered on Swyft Cities aerial automated gondola technology, are highly transferable to any type of new mobility technology and lays out a repeatable process for assessing new technology within an city or community context.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Applying Two-Dimensional Correlation Spectroscopy and Principal Component Analysis to Understand How Temperature Affects the Neptunium(V) Absorption Spectrum

The visible-near infrared (Vis-NIR) electronic absorption spectrum of neptunium(V) (NpO 2 + ) comprises numerous f-f electronic transitions with mostly undocumented temperature dependencies. The effect of temperature on the absorption spectrum of the pentavalent neptunyl dioxocation (NpO 2 + ) is an important factor to consider with spectrophotometric applications but has often been overlooked. Optical Vis-NIR absorption spectra (400–1700 nm) of Np(V) (0.017–0.89 M) in 1 M nitric acid were evaluated with varying temperatures (T = 10–80 °C). The intensity, position, and overall shape of the bands were sensitive to interactions with the solvent and coordination environment. Numerous temperature-induced isosbestic points were identified resulting from dynamic, overlapping peak shifts. Spectral variations were characterized using principal component analysis (PCA) and 2D correlation spectroscopy (COS). 2D-COS revealed that the absorption band near 1095 nm likely consists of two bands centered near 1087 and 1096 nm, which cannot be explained by current computational methods. 2D-COS analysis also provided an unambiguous assignment of unresolved peaks in the visible region for comparison with computational predictions. PCA was used to identify nonlinearity in the spectral response at elevated Np(V) concentrations ≥ 0.5 M. This unique experimental data and interpretation will foster a deeper understanding of the absorption spectra for complex actinyl ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Verification and Demonstration of One-Dimensional Freezing Model in SAM for Salt-Cooled Reactor Analysis Applications

This work presented the development and implementation of the one-dimensional freezing model in system analysis code, SAM, as well as code verification, and code demonstration during a postulated overcooling transient, for fluoride salt-cooled high-temperature reactor (FHR) system and safety analysis applications. The paper at first summarized the freezing model, finite element numerical method, and special numerical treatment for handling phase appearance/disappearance. Analytical solutions were derived for two cases (with and without solid walls) for code verifications purpose. As expected, numerical results predicted by the SAM code agreed very well with the analytical solution. A code demonstration was then performed on a postulated protected overcooling event transient of a generic reference PB-FHR design. The code was found to successfully predict salt freezing during such a postulated event. However, due to lack of salt freezing testing data, code validation has not been performed in this work, which will be pursued in later studies when such data becomes available.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Imaging Three-Dimensional Molecular Structure and Dynamics with Multiparticle Covariance and Cumulant Coulomb Explosion Analysis

Coulomb explosion imaging (CEI) provides a direct means of imaging molecular geometry by correlating fragment ion momenta following the fragmentation of a molecular polycation. Here, we demonstrate the use of three-body covariance and four-body cumulant analysis to extract three-dimensional (3D) structural information from the X-ray-induced Coulomb explosion of tert-butyl iodide (C4H9I). Site-selective ionization at the iodine 4d edge with intense femtosecond soft X-ray pulses from an X-ray free-electron laser (XFEL) enables rapid charge buildup and molecular breakup. By correlating ionic fragments in the molecular frame, we isolate complete dissociation channels and reveal subtle structural changes, such as umbrella-type motion of the branched alkyl chain, during the ionization process. Comparison with point-charge simulations of the Coulomb explosion shows close agreement, validating the approach. Furthermore, these results establish covariance/cumulant mapping as a powerful strategy for imaging complex three-dimensional molecular structures and point the way toward time-resolved CEI using both XFEL and tabletop sources for capturing ultrafast structural dynamics.

Imaging↗
DOE OSTI2020

Development of Saturated Zone Three-Dimensional Initial Condition Plumes for the Composite Analysis and Cumulative Impacts Evaluation Modeling

The purpose of this environmental calculation file (ECF) is to document and present the methodology, input data, and results of extending two-dimensional (2-D) plume depictions documented in DOE/RL- 2017-66, Hanford Site Groundwater Monitoring for 2017, into three dimensions (3-D) for select contaminants of interest (COIs) in the 200-BP-5, 200-UP-1, 200-ZP-1, and 200-PO-1 Groundwater Operable Units at the Hanford Site. Plumes with sufficient available vertical profile data were interpolated in 3-D using the Leapfrog Geo®1 geologic modeling platform, which includes an interpolation engine for analyzing and visualizing 3-D data. Results of these interpolations are intended for use in developing inputs for transport modeling to support forecasts of Central Plateau contaminant plume fate and transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Accurate measurement of porosity size and morphology in aluminium alloy laser welds

Conventional two-dimensional optical microscopy is the most common tool for capturing and quantifying keyhole collapse porosity and other defects formed during the laser welding of aluminium alloys. This approach is of limited utility since only a single longitudinal or transverse metallographic cross-section, comprising only a small fraction of the overall weld volume, can be extracted or analysed at a time. X-ray computed tomography tools, on the other hand, enable three-dimensional visualisation and analysis of porosity and defects to be made across the full weld volume. When comparing these two measurement techniques, two-dimensional microscopy tools significantly underestimated the fraction of defects present within the weld at levels between 50% and 80%. Three-dimensional x-ray computed tomography tools also provide a means for accurately characterising the location, size and morphology of irregularly shaped defects. By categorising the defect shapes using a Zingg's shape analysis, in which the distribution of defect morphologies could be quantified as disk, rod and spherical shapes, a transition in defect morphology moving from stationary beam to oscillating beam welds was detected and quantified.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Four-Dimensional Quasielastic Neutron Scattering (4D-QENS) Analysis of Correlated Ionic Conduction in Sr⁢Cl2

Methods of elucidating the mechanisms of fast-ion conduction in solid-state materials are pivotal for advancements in energy technologies such as batteries, fuel cells, sensors, and supercapacitors. In this study, we examine the ionic conduction pathways in single crystal Sr⁢Cl2, which is a fast-ion conductor above 900 K, using four-dimensional quasielastic neutron scattering (4D-QENS). We explore both coherent and incoherent neutron scattering at temperatures above the transition temperature into the superionic phase to explore the correlated motion of hopping anions. Refinements of the incoherent QENS yield residence times and jump probabilities between lattice sites in good agreement with previous studies, confirming that ionic hopping along nearest-neighbor directions is the most probable conduction pathway. However, the coherent QENS reveals evidence of de Gennes narrowing, indicating the importance of ionic correlations in the conduction mechanism. This highlights the need for improvements both in the theory of ionic transport in fluorite compounds and the modeling of coherent 4D-QENS in single crystals.

Coles, Jared [Materials Science Division, Argonne ↗
DOE OSTI2023

Statistical Analysis of the Limiting Dynamics of Two dimensional Boussinesq Turbulent Systems

In the current study, we investigate rotational and stratified turbulent systems within the framework of the Boussinesq equations. The effects of rotation and stratification give rise to a variety of dynamical regimes in atmospheric and oceanic turbulence. To develop a better understanding of the fundamental flow properties through a more straightforward mathematical framework, we commence our research with a simplified two-dimensional Boussinesq model that incorporates rotation and stratification effects. We explore two distinct limiting dynamics, considering pure rotation and pure stratification separately. We examine these intriguing dynamics through numerical investigations, applying the exact solution theory of Boussinesq equations and examining small-scale perturbations to the exact solution under rotation and stratification. We conduct an analysis of statistical quantities associated with the turbulent state variables. The results indicate that, under weak rotation at the equilibrium statistical state, the flow field exhibits vortex flow. However, strong rotation transforms the flow into vertical shear flow. We observe both downscale and upscale energy transfers with a decay rate of k −3 in the absence of external forcing and dissipation. Furthermore, we delve into the study of internal gravity wave mode interactions in the simplified two-dimensional Boussinesq system, which is a crucial aspect of geophysical turbulence due to gravity. Our findings reveal that the time series of the mode coefficients exhibit wave-like interactions between wave modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Distribution and speciation of Sb and toxic metal(loid)s near an antimony refinery and their effects on indigenous microorganisms

Although several studies have investigated the effects of Sb contamination on surrounding environments and indigenous microorganisms, little is known about the effect of co-contamination of Sb and toxic metal(loid)s. In this study, the occurrence of Sb and other toxic metal(loid)s near an operating Sb refinery and near-field landfill site were investigated. Topsoil samples near the refinery had high Sb levels (~3250 mg kg -1 ) but relatively low concentrations of other toxic metal(loid)s. However, several soil samples taken at greater depth from the near-field landfill site contained high concentrations of As and Pb, as well as extremely high Sb contents (~21,400 mg kg -1 ). X-ray absorption fine structure analysis showed that Sb in the soils from both sites was present as Sb(V) in the form of tripuhyite (FeSbO 4 ), a stable mineral. Three-dimensional principal coordinate analysis showed that microbial community compositions in samples with high toxic metal(loid)s concentrations were significantly different from other samples and had lower microbial populations (~10 4 MPN g -1 ). Sequential extraction results revealed that Sb is present primarily in the stable residual fraction (~99 %), suggesting low Sb bioavailability. Finally, however, microbial redundancy analysis suggested that the more easily extractable Pb might be the major factor controlling microbial community compositions at the site.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2020

Open Source Visualization and Analysis Platform for 3D Reconstructions of Materials by Transmission Electron Microscopy

Three-dimensional characterization of materials at the nano- and meso-scale has become possible with transmission and scanning transmission electron microscopes (S/TEM). Its importance has extended to a wide class of nanomaterials such as hydrogen fuel cells, solar cells, industrial catalysts, new battery materials and semiconductor devices, as well as spanning high-tech industry, universities, and national labs. While capable instrumentation is abundant, this rapidly expanding demand for high-resolution tomography is bottlenecked by software that is instead tailored for lower-dose, biological applications and not optimized for higher-resolution materials applications. Existing tomography fails to utilize the chemical information provided by S/TEM spectrometers. To address this problem, this project delivered a scalable, fully functional, freely-distributable, open Source materials tomography package with a modern user interface that enables automated acquisition, alignment, and real-time reconstruction of raw tomography data, and provides advanced segmentation, three-dimensional chemical visualization and analysis optimized for materials applications. It has established an extendable framework capable of automation for high-throughput for the tomography of materials from data acquisition to visualization. Phase I and II delivered a full-featured, cross-platform, clean and integrated application for S/TEM materials tomography. It can read projection data from the microscope, with graphical tools for alignment of data, tomographic reconstruction, segmentation, and visualization of the reconstructed 3D volume. The entire pipeline can be saved to an XML state file, enabling fully reproducible data processing and analysis with a full Python environment for the development of custom algorithms, processing, and analysis requirements. Phase IIB extended the application to provide real-time tomographic reconstruction, "live updates" as data is processed, analysis of big data, and multi-channel tomography. Here, quantitative assessment of nanomaterials can occur as data is being recorded on a 3D visualization platform that accommodates additional information from multiple channels. We provide unmatched high-throughput tomography, where the complete tomographic pipeline from measurement to 3D visualization can occur rapidly. The project was extended to offer capabilities for micro-CT, X-ray, neutron, focused ion beam, atomic electron tomography and atom probe tomography. With over 600 transmission electron microscopes worldwide and approximately 50 coming online each year, the demand and impact of an open-source tomography tool is large. Significant opportunities exist in high-tech industry, universities, and national labs to enable or enhance three-dimensional imaging at the nanoscale and bring automated high-throughput approaches that will accelerate progress in materials characterization and metrology. The project supports a service based business model by enabling lab-specific acquisition and processing customization and integration-support and development that will be provided into Phase III and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2023

On the dual advantage of placing observations through forward sensitivity analysis

The four-dimensional variational data assimilation methodology for assimilating noisy observations into a deterministic model has been the workhorse in forecasting centres for over three decades. While this method provides a computationally efficient framework for dynamic data assimilation, it is largely silent on the important question concerning the minimum number and placement of observations. To answer this question, we demonstrate the dual advantage of placing the observations where the square of the sensitivity of the model solution with respect to the unknown control variables, called forward sensitivities, attains its maximum. By following this approach, we can force the observability Gramian to be of full rank, which in turn guarantees efficient recovery of the optimal values of the control variables, which is the first of the two advantages of this strategy. We further show that the proposed strategy of placing observations has another inherent optimality: the square of the sensitivity of the optimal estimates of the control with respect to the observations (used to obtain these estimates) attains its minimum value, a second advantage that is a direct consequence of the above strategy for placing observations. Our analytical framework and numerical experiments on linear and nonlinear systems confirm the effectiveness of our proposed strategy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Coupling of CTF and RELAP5-3D Within an Enhanced Fidelity Nuclear Power Plant Simulator

A robust and accurate multiphysics engineering simulator is being developed to model the core behavior and system response of pressurized water reactors. This simulator relies on the NESTLE and CTF computer codes to model the neutronics and thermal hydraulics (TH), respectively, inside the core on a nodal scale and on the Reactor Excursion and Leak Analysis Program—Three Dimensional (RELAP5-3D) to model the entire nuclear steam supply system. The RELAP5-3D model includes highly detailed nodalization and multidimensional flow modeling throughout the vessel. Previously, pin-resolved data generated via the Virtual Environment for Reactor Analysis core simulator were used to improve the accuracy of the NESTLE core predictions. The engineering simulator being developed as part of this work uses the 3KEYMASTER platform to couple the enhanced NESTLE model to a nodal-fidelity CTF model to balance run time with accuracy; NESTLE provides node-dependent powers to CTF, and CTF provides node-dependent coolant densities and fuel temperatures to NESTLE.An overlapping domain approach is used for the core TH in which RELAP5-3D provides core boundary conditions based on the system response and CTF provides a node-dependent coolant heating rate to the RELAP5-3D core solution. In the preliminary TH demonstration discussed in this paper, CTF and RELAP5-3D provided similar steady-state core predictions, indicating the hydraulic compatibility between the codes, as well as reasonable and expected behavior under hypothetical transient conditions. This provides an initial step in ongoing efforts toward a robust, multiscale TH/neutronics engineering simulator capability.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

High-speed particle analysis using forward and backward two-dimensional angular optical scattering

Measurement of two-dimensional angle-resolved optical scattering (TAOS) patterns is an attractive technique for detecting and characterizing micron-sized high-speed flying particles. The elastic-scattering intensity pattern from a single particle as a function of spherical coordinate angles θ and ϕ provides detailed information on the particle’s morphology. By use of an ellipsoidal reflector and a high-speed CCD camera, scattering from a CW-laser was detected and resolved over a large angular range (θ from 12° to 168° and ϕ from 0° to 360°) from spherically shaped particles (e.g., amorphous silica and borosilicate glass) flowing through the reflector’s focal plane at speeds of 20 to 30 m/s. The scattering pattern from individual particles flying through the focal plane of the ellipsoid mirror provides insights about a particle’s size, clustering, roughness, and velocity.

Optics and optical instruments↗
DOE OSTI2022

Hanford Site Composite Analysis: Comparison of One- and Three-Dimensional Simulation of Vadose Zone Transport and Transfer to Groundwater for Selected Waste Sites

The purpose of this document is to compare 1D and 3D technetium-99 (Tc-99) VZ transport and transfer rates to groundwater for five selected waste sites (two tanks, two cribs, and one trench) to demonstrate the need to consider 3D flow and transport mechanisms and commingling of contaminant plumes originating from adjacent waste sites. The waste sites selected for the comparison evaluation are the 241-A-105 Tank in the A Farms Area model, the 216-B-18 Crib and the 216-B-25 Trench in the BC Cribs and Trenches model, the 216-B-49 Crib in the B Complex model, and the 241-SX-115 Tank in the S Farms Area model. The selected waste sites all represent different disposal or leak conditions, with and without potential impacts due to release-fluid commingling, occurring at the Hanford Site Central Plateau.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗