Generalized Uncertainty Quantification for X-ray Image Processing
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x-ray image processing, uncertainty quantification↗
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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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Sampling-based Uncertainty Quantification in Deconvolution of X-ray Radiographs
In imaging applications that focus on quantitative analysis{such as X-ray radiography in the security sciences--it is necessary to be able to reliably estimate the uncertainties in the processing algorithms applied to the image data, and deconvolving the system blur out of the image is usually an essential step. In this work we solve the deconvolution problem within a Bayesian framework for edge-enhancing reconstruction with uncertainty quantification. The likelihood is a normal approximation to the Poisson likelihood, and the prior is generated from a classical total variation regularized Poisson deconvolution. Samples from the corresponding posterior distribution are computed using a Markov chain Monte Carlo approach, giving a pointwise measure of uncertainty in the final, deconvolved signal. We demonstrate the results on real data used to calibrate a high-energy X-ray source and show that this approach gives reconstructions as good as classical regularization methods, while mitigating many of their drawbacks.
Deconvolution, Inverse Problems, Markov Chain Mont↗
Uncertainty quantification and propagation in lithium-ion battery electrodes using bayesian convolutional neural networks
The complex nature of manufacturing processes stipulates electrodes to possess high variability with increased heterogeneity during production. X-ray computed tomography imaging has proved to be critical in visualizing the complicated stochastic particle distribution of as-manufactured electrodes in lithium-ion batteries. However, accurate prediction of their electrochemical performance necessitates precise evaluation of kinetic and transport properties from real electrodes. Image segmentation that characterizes voxels to particle/pore phase is often meticulous and fraught with subjectivity owing to a myriad of unconstrained choices and filter algorithms. Here we utilize a Bayesian convolutional neural network to tackle segmentation subjectivity and quantify its pertinent uncertainties. Otsu inter-variance and Blind/Referenceless Imaging Spatial Quality Evaluator are used to assess the relative image quality of grayscale tomograms, thus evaluating the uncertainty in the derived microstructural attributes. We analyze how image uncertainty is correlated with the uncertainties and magnitude of kinetic and transport properties of an electrode, further identifying pathways of uncertainty propagation within microstructural attributes. The coupled effect of spatial heterogeneity and microstructural anisotropy on the uncertainty quantification of transport parameters is also understood. This work demonstrates a novel methodology to extract microstructural descriptors from real electrode images through quantification of associated uncertainties and discerning the relative strength of their propagation, thus facilitating feedback to manufacturing processes from accurate image based electrochemical simulations.
25 ENERGY STORAGE↗
Statistical characterization of experimental magnetized liner inertial fusion stagnation images using deep-learning-based fuel–background segmentation
Significant variety is observed in spherical crystal x-ray imager (SCXI) data for the stagnated fuel–liner system created in Magnetized Liner Inertial Fusion (MagLIF) experiments conducted at the Sandia National Laboratories Z-facility. As a result, image analysis tasks involving, e.g., region-of-interest selection (i.e. segmentation), background subtraction and image registration have generally required tedious manual treatment leading to increased risk of irreproducibility, lack of uncertainty quantification and smaller-scale studies using only a fraction of available data. We present a convolutional neural network (CNN)-based pipeline to automate much of the image processing workflow. This tool enabled batch preprocessing of an ensemble of N scans = 139 SCXI images across N exp = 67 different experiments for subsequent study. The pipeline begins by segmenting images into the stagnated fuel and background using a CNN trained on synthetic images generated from a geometric model of a physical three-dimensional plasma. The resulting segmentation allows for a rules-based registration. Our approach flexibly handles rarely occurring artifacts through minimal user input and avoids the need for extensive hand labelling and augmentation of our experimental dataset that would be needed to train an end-to-end pipeline. Here we also fit background pixels using low-degree polynomials, and perform a statistical assessment of the background and noise properties over the entire image database. Our results provide a guide for choices made in statistical inference models using stagnation image data and can be applied in the generation of synthetic datasets with realistic choices of noise statistics and background models used for machine learning tasks in MagLIF data analysis. We anticipate that the method may be readily extended to automate other MagLIF stagnation imaging applications.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Measurement of Sauter Mean Diameter (SMD) in Diesel Sprays Using a Scattering-Absorption Measurement Ratio (SAMR) Technique
A new diagnostic for the quantification of Sauter Mean Diameter (SMD) in high-pressure fuel sprays has been recently developed using combined optical and x-ray measurements at the Georgia Institute of Technology and Argonne National Laboratory, respectively. This diagnostic utilizes liquid scattering extinction measurements from diffuse back-illumination imaging, conducted at Georgia Tech, and liquid absorption measurements from x-ray radiography, conducted at Argonne’s Advanced Photon Source. The new diagnostic, entitled the Scattering Absorption Measurement Ratio (SAMR), quantifies two-dimensional distributions of path integrated SMD, enabling construction of the spatial history of drop size development within practical fuel sprays. This technique offers unique benefits over conventional drop-sizing methods in that it can be more robust in optically dense regions of the spray, while also providing high spatial and temporal resolution of the corresponding droplet field. The methodology for quantification of SMD distributions using the SAMR technique has been previously introduced and demonstrated in diesel sprays using the Engine Combustion Network Spray D injector, however a more detailed treatment of measurement uncertainties has been needed. In the current work, we present a summary of the various sources of measurement uncertainty in the SAMR diagnostic, like those due to the experimental setup, data processing methods, and theoretical assumptions, and assess how these sources of uncertainty affect the quantified SMD. The spatially-resolved SMD measurements that result from the SAMR diagnostic will be especially valuable to the engine modeling community for the quantitative validation of spray submodels in engine CFD codes. Careful evaluation and quantification of measurement uncertainties is important to support accurate model validation and to ensure the development of more predictive spray models.
33 ADVANCED PROPULSION SYSTEMS↗
Measurement of Sauter mean diameter in diesel sprays using a scattering–absorption measurement ratio technique
A new diagnostic for the quantification of Sauter mean diameter in high-pressure fuel sprays has been recently developed using combined optical and X-ray measurements at the Georgia Institute of Technology and Argonne National Laboratory, respectively. This diagnostic utilizes liquid scattering extinction measurements from diffuse back-illumination imaging, conducted at Georgia Tech, and liquid absorption measurements from X-ray radiography, conducted at Argonne’s Advanced Photon Source. The new diagnostic, entitled the scattering–absorption measurement ratio, quantifies two-dimensional distributions of path-integrated Sauter mean diameter, enabling the construction of the spatial history of drop size development within practical fuel sprays. This technique offers unique benefits over conventional drop-sizing methods in that it can be more robust in optically dense regions of the spray, while also providing high spatial resolution of the corresponding droplet field. The methodology for quantification of Sauter mean diameter distributions using the scattering–absorption measurement ratio technique has been previously introduced and demonstrated in diesel sprays using the Engine Combustion Network Spray D injector; however, a more detailed treatment of measurement uncertainties has been needed. In this work, we present a summary of the various sources of measurement uncertainty in the scattering–absorption measurement ratio diagnostic, like those due to the experimental setup, data processing methods, and theoretical assumptions, and assess how these sources of uncertainty affect the quantified Sauter mean diameter. The spatially resolved Sauter mean diameter measurements that result from the scattering–absorption measurement ratio diagnostic will be especially valuable to the engine modeling community for the quantitative validation of spray submodels in engine computational fluid dynamics codes. Careful evaluation and quantification of measurement uncertainties are important to support accurate model validation and to ensure the development of more predictive spray models.
42 ENGINEERING↗
The Porous Microstructure Analysis (PuMA) software
The open-source Porous Microstructure Analysis (PuMA) software was implemented to offer an efficient framework for determining material characteristics from 3D microstructures. Its development was inspired by progress in X-ray microtomography, an imaging technology that captures the internal structure of materials in 3D, and even in a 4D temporal context. Over recent years, this method has transformed the domain of materials science due to its capability to non-destructively examine material microstructures while presenting digital data about their geometrical details. It has provided insights into materials relevant to several NASA missions, including heatshields, parachute fabrics, meteorites, and other advanced composites. PuMA, in its current version 3, delivers an array of features, spanning from basic geometric insights of a microstructure to intricate anisotropic thermo-elastic and chemical behavior. Specifically, the software evaluates morphological attributes (specific surface area, volume fractions, mean intercept lengths, orientation) and physical characteristics (conductivity, elasticity, permeability, and tortuosity). Additionally, it can model material degradation processes, such as oxidation and surface chemistry interactions. The software can generate synthetic microstructures, from straightforward geometrical designs to intricate woven and non-woven geometries. Coupling material generation and characterization enable parametric studies and sensitivity analysis to optimize the microstructural performance and inform design decisions and reliability assessment based on uncertainty quantification. A recent addition to PuMA includes the TomoSAM plugin, devised to incorporate the cutting-edge Segment Anything Model (SAM). SAM is a promptable deep learning model that can identify objects and create image masks in a zero-shot manner, based only on a few user clicks. The synergy between these tools aids in the segmentation of complex 3D datasets from tomography or other imaging techniques, which would otherwise require a laborious manual segmentation process.
Tomography↗
The Porous Microstructure Analysis (PuMA) software
The open-source Porous Microstructure Analysis (PuMA) software was created to offer an efficient framework for determining material properties from 3D microstructures. Its development was inspired by progress in X-ray microtomography, an imaging technology that captures the internal structure of materials in 3D, and even in a 4D temporal context. Over recent years, this method has transformed the domain of materials science due to its capability to non-destructively examine material microstructures while presenting digital data about their geometrical details. It has provided insights into materials relevant to several NASA missions, including heatshields, parachute fabrics, meteorites, and other advanced composites. PuMA, in its current version 3, delivers an array of features, spanning from basic geometric insights of a microstructure to intricate anisotropic thermo-elastic and chemical behavior. Specifically, the software evaluates morphological attributes (specific surface area, volume fractions, mean intercept lengths, orientation) and physical characteristics (conductivity, elasticity, permeability, and tortuosity). Additionally, it can model material degradation processes, such as oxidation and surface chemistry interactions. The software can generate synthetic microstructures, from straightforward geometrical designs to intricate woven and non-woven geometries. Coupling material generation and characterization enables parametric studies and sensitivity analysis to optimize the microstructural performance and inform design decisions and reliability assessment based on uncertainty quantification. A recent addition to PuMA includes the TomoSAM plugin, devised to incorporate the cutting-edge Segment Anything Model (SAM) into our image segmentation workflow. SAM is a promptable deep learning model that can identify objects and create image masks in a zero-shot manner, based only on a few user clicks. The synergy between these tools aids in the segmentation of complex 3D datasets from tomography and other imaging techniques, which would otherwise require a laborious manual segmentation process.
Tomography↗
Predictive Modeling of Carbon Ablators
Efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. To reduce the need for extensive testing, accelerate the design cycle process, and reduce uncertainty margins applied to final designs, NASA is developing simulation and modeling tools that enable characterization of material properties and response to high-enthalpy environments. The Porous Microstructure Analysis (PuMA) code has been developed for computing macroscale (volume averaged) properties of porous materials using microscale images from micro-computed tomography (micro-CT). Microscale modeling requires a realistic representation of a material microstructure; these are obtained either synthetically during the design of the material or through X-ray micro-CT. Volume averaged properties are then used to inform macroscale material response models, such as those implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO) software, also actively developed by NASA. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale assuming local thermal equilibrium. These tools were developed to efficiently interface with other pre-existing codes such as SPARTA (direct simulation Monte Carlo), DPLR (hypersonic CFD), NEQAIR (radiative transport) and DAKOTA (uncertainty quantification and optimization). Detailed flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI]) is critical for validating these computational tools for NASA applications. Examples of modeling ablative material response using these codes will be presented including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrate the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains, through the use of massively parallel computations.
Thermal Protection Systems↗
Predictive Modeling of Carbon Ablators Using Micro and Macro-Scale Modeling
Efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. To reduce the need for extensive testing, accelerate the design cycle process, and reduce uncertainty margins applied to final designs, NASA is developing simulation and modeling tools that enable characterization of material properties and response to high-enthalpy environments. The Porous Microstructure Analysis (PuMA) code has been developed for computing macroscale (volume averaged) properties of porous materials using microscale images from micro-computed tomography (micro-CT). Microscale modeling requires a realistic representation of a material microstructure; these are obtained either synthetically during the design of the material or through X-ray micro-CT. Volume averaged properties are then used to inform macroscale material response models, such as those implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO) software, also actively developed by NASA. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale assuming local thermal equilibrium. These tools were developed to efficiently interface with other pre-existing codes such as SPARTA (direct simulation Monte Carlo), DPLR (hypersonic CFD), NEQAIR (radiative transport) and DAKOTA (uncertainty quantification and optimization). Detailed flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI]) is critical for validating these computational tools for NASA applications. Examples of modeling ablative material response using these codes will be presented including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrate the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains, through the use of massively parallel computations.
Thermal Protection Systems↗
EXTINCTION DROPLET SIZING MEASUREMENTS IN DIESEL RELEVANT SPRAYS
A new diagnostic for the quantification of Sauter Mean Diameter (SMD) in high-pressure fuel sprays has been recently developed using combined optical and x-ray measurements at the Georgia Institute of Technology and Argonne National Laboratory, respectively. This diagnostic utilizes liquid scattering extinction measurements from diffuse back-illumination (DBI) imaging, conducted at Georgia Tech, and liquid absorption measurements from x-ray radiography, conducted at Argonne’s Advanced Photon Source. The new diagnostic, entitled the Scattering Absorption Measurement Ratio (SAMR), quantifies two-dimensional distributions of path-integrated SMD, enabling construction of the spatial history of drop size development within practical fuel sprays. This technique offers unique benefits over conventional drop-sizing methods in that it can be more robust in optically dense regions of the spray, while also providing high spatial resolution of the corresponding droplet field. The spatially-resolved SMD measurements that result from the SAMR diagnostic will be especially valuable to the engine modeling community for the quantitative validation of spray submodels in engine CFD codes. The methodology for quantification of SMD distributions using the SAMR technique has been previously introduced. This thesis aims to extend the initial developmen of SAMR technique by presenting in detail: the experimental methodologies used in the SAMR technique, including the development of an ideal DBI setup for this technique; the data processing methodologies developed by the author; two-dimensional Sauter Mean Diameter measurements within diesel sprays for various experimental conditions; a summary of the various sources of measurement uncertainty; an assessment for how the sources of uncertainty affect the quantified SMD; and paths to improve the technique moving forward. The SMD results show that for low ambient density conditions droplets decrease in size as radial and axial position increases. For high ambient density conditions, however, the droplets show a stable size near the spray centerline and steadily increase in size as distance from the centerline increases. Additionally, this work provides 2-D droplet sizing maps which are particularly useful for model validation.
33 ADVANCED PROPULSION SYSTEMS↗
EXTINCTION DROPLET SIZING MEASUREMENTS IN DIESEL RELEVANT SPRAYS
A new diagnostic for the quantification of Sauter Mean Diameter (SMD) in high-pressure fuel sprays has been recently developed using combined optical and x-ray measurements at the Georgia Institute of Technology and Argonne National Laboratory, respectively. This diagnostic utilizes liquid scattering extinction measurements from diffuse back-illumination (DBI) imaging, conducted at Georgia Tech, and liquid absorption measurements from x-ray radiography, conducted at Argonne’s Advanced Photon Source. The new diagnostic, entitled the Scattering Absorption Measurement Ratio (SAMR), quantifies two-dimensional distributions of path-integrated SMD, enabling construction of the spatial history of drop size development within practical fuel sprays. This technique offers unique benefits over conventional drop-sizing methods in that it can be more robust in optically dense regions of the spray, while also providing high spatial resolution of the corresponding droplet field. The spatially-resolved SMD measurements that result from the SAMR diagnostic will be especially valuable to the engine modeling community for the quantitative validation of spray submodels in engine CFD codes. The methodology for quantification of SMD distributions using the SAMR technique has been previously introduced. This thesis aims to extend the initial development of the SAMR technique by presenting in detail: the experimental methodologies used in the SAMR technique, including the development of an ideal DBI setup for this technique; the data processing methodologies developed by the author; two-dimensional Sauter Mean Diameter measurements within diesel sprays for various experimental conditions; a summary of the various sources of measurement uncertainty; an assessment for how the sources of uncertainty affect the quantified SMD; and paths to improve the technique moving forward. The SMD results show that for low ambient density conditions droplets decrease in size as radial and axial position increases. For high ambient density conditions, however, the droplets show a stable size near the spray centerline and steadily increase in size as distance from the centerline increases. Additionally, this work provides 2-D droplet sizing maps which are particularly useful for model validation.
33 ADVANCED PROPULSION SYSTEMS↗
Ultrafast radiographic imaging and tracking: An overview of instruments, methods, data, and applications
Ultrafast radiographic imaging and tracking (U-RadIT) use state-of-the-art ionizing particle and light sources to experimentally study sub-nanosecond transients or dynamic processes in physics, chemistry, biology, geology, materials science and other fields. These processes are fundamental to modern technologies and applications, such as nuclear fusion energy, advanced manufacturing, communication, and green transportation, which often involve one mole or more atoms and elementary particles, and thus are challenging to compute by using the first principles of quantum physics or other forward models. One of the central problems in U-RadIT is to optimize information yield through, e.g. high-luminosity X-ray and particle sources, efficient imaging and tracking detectors, novel methods to collect data, and large-bandwidth online and offline data processing, regulated by the underlying physics, statistics, and computing power. We review and highlight recent progress in: (a.) Detectors such as high-speed complementary metal-oxide semiconductor (CMOS) cameras, hybrid pixelated array detectors integrated with Timepix4 and other application-specific integrated circuits (ASICs), and digital photon detectors; (b.) U-RadIT modalities such as dynamic phase contrast imaging, dynamic diffractive imaging, and four-dimensional (4D) particle tracking; (c.) U-RadIT data and algorithms such as neural networks and machine learning, and (d.) Applications in ultrafast dynamic material science using XFELs, synchrotrons and laser-driven sources. Hardware-centric approaches to U-RadIT optimization are constrained by detector material properties, low signal-to-noise ratio, high cost and long development cycles of critical hardware components such as ASICs. Interpretation of experimental data, including comparisons with forward models, is frequently hindered by sparse measurements, model and measurement uncertainties, and noise. Alternatively, U-RadIT make increasing use of data science and machine learning algorithms, including experimental implementations of compressed sensing. Machine learning and artificial intelligence approaches, refined by physics and materials information, may also contribute significantly to data interpretation, uncertainty quantification and U-RadIT optimization.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Multiscale dynamics of reactive fronts in the subsurface
1. Brief summary of progress to date. Major Goals of the Project. Overreaching goals of the proposed activity are to develop an or- ganizing framework to describe nonlinear reactive transport in geologic systems over many length and time scales, and corresponding physics-based adaptive multi-scale hybrid models. We will also provide computational tools for robust uncertainty quantification in hybrid simulations. Major Activities of the Project. The major activities in this reporting period have focused on developing a time-averaging framework for ADR transport (Task 1) and global diagnosis criteria for spatio-temporal algorithm refinement (Task 2), as well as numerical validation and verification of the analytical approaches developed. The main activities are as follows: (a) We use homogenization theory to perform a spatio-temporal upscaling of pore-scale advection- diffusion equation in a periodic porous medium in the presence of fluctuating boundary conditions on some parts of the boundary and nonlinear chemical reaction on the solid-liquid interface and we investigate the constraints under which the macroscopic equation gives an accurate explanation of the underlying physics at the pore scale. We demonstrate that the dynamics at the continuum scale is strongly influenced by the interplay between signal frequency at the boundary and transport processes at the pore level. Furthermore, we show that by choosing appropriate scaling factors, a homogenized equation along with expressions for the effective coefficients reliably describe the concentration of solute at the length and time scales vastly different from physically robust micro-scale provided that some specific scale separation constraints are met. Our analysis proves that if the reaction rate or advection at the micro-scale are large, the effectiveness of the homogenized model is impeded. (b) We test numerically the conditions derived theoretically for advective-diffusive and reactive trans- port in a fracture with planar walls subject to temporally oscillating Dirichlet boundary conditions. The numerical analysis confirms the theoretical predictions. Significant Results. Two paper are in preparation. 2. Description of work yet to be accomplished The Tasks yet to be accomplished are listed below: (a) Quantify the impact of uncertainty in wall geometry of planar fractures on predictions hybrids of ARD transport (b) Develop coupling conditions for time hybridzation (c) Quantify the impact of uncertainty in pore geometry on predictions of hybrids of ARD transport in porous media, i.e. develop stochastic hybrid models (d) Use the hybrids combined with X-Ray tomographic images of pore scale structure (from Dr. Gouze, see letter of collaboration) to model dynamic changes in porosity/permeability
42 ENGINEERING↗