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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Geometric Volume of Fluid-Based Multiphase Flow Solver Extension to the Reacting Flow Solver, PeleLM

A new algorithm is presented to simulate multiphase flows with surface tension in a pathway for spray combustion simulation. The algorithm combines capabilities from two open-source packages, including the interface reconstruction library (IRL), a library of computational geometry routines to enable the volume of fluid (VOF) method, and PeleLM, a solver for the reacting Navier-Stokes equations. Additionally, surface tension is implemented using the continuum surface force (CSF) model with an improved height function technique in the volume fraction field. Spurious errors in volume fraction arising from our combined strategy are corrected through a topology-based method that improves both numerical stability and accuracy. Multiple validation simulations are conducted, including (i) translations and rotations of Zalesak's disk, (ii) a stationary circular droplet with surface tension, (iii) an oscillating elliptical droplet, and (iv) three-dimensional deformation of a spherical droplet. Results indicate that the combined scheme retains the favorable properties of each of the component algorithms.

42 ENGINEERING↗
DOE OSTI2022

Advanced Image Reconstruction for MCP Detector in Event Mode

A two-step data reduction framework is proposed in this study to reconstruct a radiograph from the data collected with a micro-channel plate (MCP) detector operating under event mode. One clustering algorithm and three neutron event back-tracing models are proposed and evaluated using both example data and a full scan data. The reconstructed radiographs are analyzed, the results of which are used to suggest future development.

Zhang, Chen↗
DOE OSTI2025

Application of a Physics-Informed Convolutional Neural Network for Monitoring the Temperature Fields in High-Temperature Gas Reactors

Here, this work presents current advances in applying a physics-informed convolutional neural network (CNN) to evaluate temperature distributions in advanced reactors. Our goal is to demonstrate that the CNN can reconstruct temperature fields within the solid region of a prismatic fuel assembly in a high-temperature gas reactor (HTGR) with sensor data available in only a few cooling channels. Before that, we showcase the superior performance of the physics-informed CNN in comparison to a purely data-driven multilayer perceptron (MLP), considering a canonical heated channel setup. This analysis shows the advantages of our approach and justifies its choice. The datasets employed here are obtained upon numerical simulations performed with codes under the Nuclear Energy Advanced Modeling and Simulation program. This work is important, as industry experience indicates that the assembly material in HTGR concepts is prone to large thermal-mechanical loads nearing operational limits. This makes it crucial to characterize peak temperatures and their distributions near hot spots. Modern thermocouples are unreliable in these types of harsh environments because of the high neutron fluxes and elevated temperatures involved. The CNN-based field reconstruction represents an attractive solution, enabling sensor arrays in less aggressive locations and augmenting indirect predictions for less accessible regions. The results show that the CNN reduces prediction errors by orders of magnitude in comparison to the MLP, considering the simple yet well-representative heated channel case. In the case of the HTGR fuel assembly, the CNN can successfully reconstruct temperature fields over various cooling regimes. Furthermore, we also explore the algorithm’s ability to detect abnormalities. Interestingly, the CNN proves it has the capacity to detect blockage in one of the noninstrumented cooling channels.

Machine learning↗
DOE OSTI2023

AdjointBackMapV2: Precise reconstruction of arbitrary CNN unit’s activation via adjoint operators

Adjoint operators have been found to be effective in the exploration of CNN’s inner workings (Wan and Choe, 2022). However, the previous no-bias assumption restricted its generalization. We overcome the restriction via embedding input images into an extended normed space that includes bias in all CNN layers as part of the extended space and propose an adjoint-operator-based algorithm that maps high-level weights back to the extended input space for reconstructing an effective hypersurface. Such hypersurface can be computed for an arbitrary unit in the CNN, and here we prove that this reconstructed hypersurface, when multiplied by the original input (through an inner product), will precisely replicate the output value of each unit. We show experimental results based on the CIFAR-10 and CIFAR-100 data sets where the proposed approach achieves near 0 activation value reconstruction error.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Inverse Method for Noninvasive Material Discrimination with Multienergy X-Ray Radiography

Active x-ray inspections have great potential for noninvasive detection of illicit materials. Dual-energy x-ray radiography, in particular, has been used to determine material composition by utilizing the energy-dependence of the x-ray attenuation coefficients. However, current implementations of this method are limited in their ability to determine the material composition of composite objects. Here, in this paper, we present an inverse algorithm that uses multienergy x-ray radiography data to noninvasively reconstruct the contents of a container. A critical feature of the current contribution is that material identification can be performed using conventional detectors and x-ray spectra with different endpoint energies produced by varying nothing more than the tube voltage. Adaptive regularization is used to increase the accuracy of material estimations from multienergy data sets. The utility of these methods is demonstrated with experimentally acquired radiographs obtained using a tunable x-ray source that produces spectra with endpoint energies of 100–450 keV. The object inspected is a scale model of a nuclear materials storage container composed of three-dimensional printed plastic and stainless-steel spheres inside a thin-walled steel container. Reconstructions of the steel sphere thicknesses are within a root-mean-square error of 0.37 cm.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Measurement of lepton mass squared moments in B → X c ℓ ν ¯ ℓ decays with the Belle II experiment

We present measurements of the first to fourth moments of the lepton mass squared $q$ 2 of $B$ → $X_cℓ\overline{ν}_ℓ$ decays for $ℓ = e, μ$ and with $X_c$ a hadronic system containing a charm quark. These results use a sample of electron-positron collisions at the $Υ$($4S$) resonance corresponding to 62.8 fb -1 of integrated luminosity and collected by the Belle II 2 experiment in 2019 and 2020. To identify the $X_c$ system and reconstruct $q$ 2 , one of the $B$ mesons from an $Υ$($4S$) → $B\overline{B}$ decay is fully reconstructed in a hadronic decay mode using a multivariate $B$ tagging algorithm. We report raw and central moments for $q$ 2 > 1.5 $GeV$ 2 =$c$ 4 up to $q$ 2 > 8.5 $GeV$ 2 =$c$ 4 , probing up to 77% of the accessible $B$ → $X_cℓ\overline{ν}_ℓ$ phase space. This is the first measurement of moments in the experimentally challenging range of [1.5; 2.5] $GeV$ 2 =$c$ 4 . The results can be used for a new determination of |$V_{cb}$| using inclusive $B$ → $X_cℓ\overline{ν}_ℓ$ decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

2.5D Super-Resolution Approaches for X-Ray Computed Tomography-Based Inspection of Additively Manufactured Parts

X-ray computed tomography (XCT) is a key tool in non-destructive evaluation of additively manufactured (AM) parts, allowing for internal inspection and defect detection. Despite its widespread use, obtaining high-resolution CT scans can be extremely time consuming. This issue can be mitigated by performing scans at lower resolutions; however, reducing the resolution compromises spatial detail, limiting the accuracy of defect detection. Super-resolution algorithms offer a promising solution for overcoming resolution limitations in XCT reconstructions of AM parts, enabling more accurate detection of defects. While 2D super-resolution methods have demonstrated state-of-the-art performance on natural images, they tend to under-perform when directly applied to XCT slices. On the other hand, 3D super-resolution methods are computationally expensive, making them infeasible for large-scale applications. To address these challenges, we propose a 2.5D super-resolution approach tailored for XCT of AM parts. Our method enhances the resolution of individual slices by leveraging multi-slice information from neighboring 2D slices without the significant computational overhead of full 3D methods. Specifically, we use neighboring low-resolution slices to super-resolve the center slice, exploiting inter-slice spatial context while maintaining computational efficiency. This approach bridges the gap between 2D and 3D methods, offering a practical solution for high-throughput defect detection in AM parts.

Sullivan, Haley↗
DOE OSTI2020

Provable Convergence of Plug-and-Play Priors With MMSE Denoisers

Plug-and-play priors (PnP) is a methodology for regularized image reconstruction that specifies the prior through an image denoiser. While PnP algorithms are well understood for denoisers performing maximum a posteriori probability (MAP) estimation, they have not been analyzed for the minimum mean squared error (MMSE) denoisers. Here we address this gap by establishing the first theoretical convergence result for the iterative shrinkage/thresholding algorithm (ISTA) variant of PnP for MMSE denoisers. We show that the iterates produced by PnP-ISTA with an MMSE denoiser converge to a stationary point of some global cost function. We validate our analysis on sparse signal recovery in compressive sensing by comparing two types of denoisers, namely the exact MMSE denoiser and the approximate MMSE denoiser obtained by training a deep neural net.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Depth-First Search Image Chasing

This presentation contains results from work on an active NNSS Site-directed research and development (SDRD) project: NLV-019-20. It describes a new algorithm for "few-angle tomography", which can be used to reconstruct an approximation to an object from limited quantities or radiographs under specific conditions. This presentation is an initial documentation of research results thus-far, and we would like to share these methods with colleagues at Lawrence Livermore National Lab who have an expertise in the area of few-angle tomography. Sharing this presentation will be done via email and or teleconference amongst DoE personnel. In the future, we would also like to share these results with collaborators from Academia as well.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Heterogeneous Reconstruction of Tracks and Primary Vertices With the CMS Pixel Tracker

The High-Luminosity upgrade of the Large Hadron Collider (LHC) will see the accelerator reach an instantaneous luminosity of 7 × 10 34 cm −2 s −1 with an average pileup of 200 proton-proton collisions. These conditions will pose an unprecedented challenge to the online and offline reconstruction software developed by the experiments. The computational complexity will exceed by far the expected increase in processing power for conventional CPUs, demanding an alternative approach. Industry and High-Performance Computing (HPC) centers are successfully using heterogeneous computing platforms to achieve higher throughput and better energy efficiency by matching each job to the most appropriate architecture. In this paper we will describe the results of a heterogeneous implementation of pixel tracks and vertices reconstruction chain on Graphics Processing Units (GPUs). The framework has been designed and developed to be integrated in the CMS reconstruction software, CMSSW. The speed up achieved by leveraging GPUs allows for more complex algorithms to be executed, obtaining better physics output and a higher throughput.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Bragg coherent diffraction imaging by simultaneous reconstruction of multiple diffraction peaks

Bragg coherent diffractive imaging (BCDI) is a non-invasive microscopy technique that can visualize the morphology and internal lattice deviations of crystals with nanoscale spatial resolution and picometer deformation sensitivity. While BCDI has been successfully applied in various studies of materials, it is less successful for highly-strained crystals. Specifically, it is difficult to correctly reconstruct the electron density of a highly-strained object using conventional phase retrieval algorithms. Although various algorithms have been developed to overcome this challenge, most of them require a priori knowledge that is not always available in practice. Here we report on a new phase retrieval workflow that can invert diffraction patterns from multiple Bragg peaks simultaneously. The new workflow is explored via simulated diffraction from crystals with various strain conditions. Furthermore, reconstructions from the new workflow consistently demonstrate more accurate electron density maps, in comparison with the conventional method. For highly-strained crystals, the new workflow improves the reliability and consistency of BCDI phase retrieval significantly.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Cognition at the Point of Sensing

Over the last 15 years, compressive sensing techniques have been developed which have the potential to greatly reduce the amount of data collected by systems while preserving the amount of information obtained. A cost of this efficiency is that a computationally-intensive optimization routine must be used to put the sensed data into a form that a person can interpret. At the same time, machine learning techniques have experienced tremendous growth as well. Machines have demonstrated the ability learn how to effectively perform tasks such as detection and classification at speeds much faster than humanly possible. Our goal in this project was to study the feasibility of using compressive sensing systems "at the edge." That is, how can compressive sensing sensors be deployed such that information is created at the remote sensor rather than sending raw data to a central processing location? Studies were performed to analyze whether machine learning could be done on the compressively sensed data in its raw form. If a machine is performing the task, is it possible to do so without putting the data into a human interpretable form? We show that this is possible for some systems, in particular a compressive sensing snapshot imaging spectrometer. Machine learning tasks were demonstrated to be more effective and more robust to noise when the machine learning algorithm worked on data in its raw form. This system is shown to outperform a traditional spectrometer. Techniques for reducing the complexity of the reconstruction routine were also analyzed. Techniques for such as data regularization, deep neural networks, and matrix completion were studied and shown to have benefits over traditional reconstruction techniques. In this project we showed that compressive sensing sensors are indeed feasible at the edge. As always, sensors and algorithms must be carefully tuned to work in the constrained environment. In this project we developed tools and techniques to enable those analyses.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Ptychographic phase retrieval by proximal algorithms

We derive a set of ptychography phase-retrieval iterative engines based on proximal algorithms originally developed in convex optimization theory, and discuss their connections with existing ones. The use of proximal operator creates a simple frame work that allows us to incorporate the effect of noise from a maximum-likelihood (ML) principle. We focus on three particular algorithms, namely proximal minimization, alternating direction method of multiplier and accelerated proximal gradient (APG). We benchmark their performance with numerical simulations, and discuss their optimal conditions for convergence and accuracy. An experimental dataset is used to demonstrate their effectiveness as well, in which case an array of cubic Au nanoparticles with a size of 50 nm is imaged. We show that with the presence of Poisson noise, a dataset with photon counts up to 10 4 at one detector pixel already requires ML-based methods to achieve a stable convergence. Among the three algorithms derived in this work, APG method is reported first time for its application in ptychographic reconstruction and shows superior performance in terms of both accuracy and convergence rate with a noisy dataset.

36 MATERIALS SCIENCE↗
DOE OSTI2021

ForSE: A GAN-based Algorithm for Extending CMB Foreground Models to Subdegree Angular Scales

We present ForSE (Foreground Scale Extender), a novel Python package that aims to overcome the current limitations in the simulation of diffuse Galactic radiation, in the context of cosmic microwave background (CMB) experiments. ForSE exploits the ability of generative adversarial neural networks (GANs) to learn and reproduce complex features present in a set of images, with the goal of simulating realistic and non-Gaussian foreground radiation at subdegree angular scales. This is of great importance in order to estimate the foreground contamination to lensing reconstruction, delensing, and primordial B-modes for future CMB experiments. We applied this algorithm to Galactic thermal dust emission in both total intensity and polarization. Our results show how ForSE is able to generate small-scale features (at 12') having as input the large-scale ones (80'). The injected structures have statistical properties, evaluated by means of the Minkowski functionals, in good agreement with those of the real sky and which show the correct amplitude scaling as a function of the angular dimension. Furthermore, the obtained thermal dust Stokes Q and U full-sky maps as well as the ForSE package are publicly available for download.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Performance of Heterogeneous Algorithm Scheduling in CMSSW

The CMS experiment started to utilize Graphics Processing Units (GPU) to accelerate the online reconstruction and event selection running on its High Level Trigger (HLT) farm in the 2022 data taking period. The projections of the HLT farm to the High-Luminosity LHC foresee a significant use of compute accelerators in the LHC Run 4 and onwards in order to keep the cost, size, and power budget of the farm under control. This direction of leveraging compute accelerators has synergies with the increasing use of HPC resources in HEP computing, as HPC machines are employing more and more compute accelerators that are predominantly GPUs today. In this work we review the features developed for the CMS data processing framework, CMSSW, to support the effective utilization of both compute accelerators and many-core CPUs within a highly concurrent task-based framework. We measure the impact of various design choices for the scheduling of heterogeneous algorithms on the event processing throughput, using the Run-3 HLT application as a realistic use case.

Bocci, Andrea↗
DOE OSTI2020

CLUE: A Fast Parallel Clustering Algorithm for High Granularity Calorimeters in High-Energy Physics

One of the challenges of high granularity calorimeters, such as that to be built to cover the endcap region in the CMS Phase-2 Upgrade for HL-LHC, is that the large number of channels causes a surge in the computing load when clustering numerous digitized energy deposits (hits) in the reconstruction stage. In this article, we propose a fast and fully parallelizable density-based clustering algorithm, optimized for high-occupancy scenarios, where the number of clusters is much larger than the average number of hits in a cluster. The algorithm uses a grid spatial index for fast querying of neighbors and its timing scales linearly with the number of hits within the range considered. We also show a comparison of the performance on CPU and GPU implementations, demonstrating the power of algorithmic parallelization in the coming era of heterogeneous computing in high-energy physics.

Rovere, Marco↗
DOE OSTI2024

Unveiling the Electrocatalytic Hydrogen Evolution Reaction Pathway on RuP 2 through Ab Initio Grand Canonical Monte Carlo

In this study, the high catalytic reactivity of ruthenium phosphide (RuP 2 ) has been identified by first-principles density functional theory (DFT) calculations for the electrocatalytic hydrogen evolution reaction (HER). Complex surface reconstructions are considered by applying the ab initio grand canonical Monte Carlo (ai-GCMC) algorithm, efficiently providing a sufficient phase-space exploration of possible surfaces. Combined with surface-phase Pourbaix diagrams, we are able to identify the actual surfaces that obtained under specific experimental environments, thus leading to a more accurate understanding of the nature of the active sites and the binding strength of adsorbates. Specifically, through hundreds of surface reconstructions and hydrogenation states generated with ai-GCMC, we identify the most favorable surface phases of RuP 2 under aqueous acidic conditions. We discover that the HER activity is determined by multiple surfaces with different stoichiometries within a narrow electrode potential window. Low HER overpotential (η) has been found for each of the identified surfaces, as low as 0.04 V. High H-coverage reconstructed surfaces have been discovered under acidic conditions, and the surface Ru sites introduced by additional Ru adatoms or exposed by P-vacancies serve as the active sites for HER based on their nearly reversible H binding. Furthermore, this work provides atomistic insights into the origin of high HER activity on RuP 2 by exploring the dynamic surface phases of electrocatalysts and features a generalizable method to explore the reconstructed/hydrogenated surface space as a function of experimental conditions.

25 ENERGY STORAGE↗
DOE OSTI2022

Gamma-ray spectroscopy using angular distribution of Compton scattering

We present a novel method to perform gamma-ray spectroscopy suitable for extreme pileup situations, wherein traditional pulse-height spectroscopy is infeasible or impractical. One example of such application is spectral characterization of intense laser-based radiation sources that employ laser wakefield acceleration, in which a large number of photons can be produced in a well-collimated beam on a picosecond or shorter timescale. The method relies on the angularly-resolved calorimetric measurement of Compton scattering. The probability for a photon to undergo Compton scattering into a given solid angle is a function of its energy and is described by the Klein–Nishina formula. By first Compton scattering the incident beam and then measuring the total energies deposited in multiple detectors placed at various scattering angles, the incident beam energy spectrum can be reconstructed without resolving the individual events in detectors. Here, we compare the performance of an maximum likelihood expectation maximization algorithm with that of an artificial neural network to measure the energy spectrum of a beam of monoenergetic gamma rays from 137Cs decay. We demonstrate that the method can be used to reconstruct the characteristic inverse Compton scattering spectra.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗