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DOE OSTI2024

Dual Channel Dual Staging: Hierarchical and Portable Staging for GPU-Based In-Situ Workflow

In-situ workflows have emerged as an attractive approach for addressing data movement challenges at very large scales. Since GPU-based architectures dominate the HPC landscapes, porting these in-situ workflows, and, specifically, the inter-application data exchange, to GPU-based systems can be challenging. Technologies such as GPUDirect RDMA (GDR), which is typically used for I/O in GPU applications as an optimization that circumvents the CPU overhead, can be leveraged to support bulk data exchanges between GPU applications. However, current GDR design often lacks performance portability across HPC clusters built with different hardware configurations. Furthermore, the local CPU may also be effectively used as an auxiliary communication mechanism to offload data exchanges. In this paper, we present a dual channel dual staging approach for efficient, scalable, and performance-portable inter-application data exchange for in-situ workflows. This approach exploits the data access pattern within in-situ workflows along with the inherent execution asynchrony to accelerate data exchanges and, at the same time, improve performance portability. Specifically, the dual channel dual staging method leverages both the local CPU and the remote data staging server to build a hierarchical joint staging area and uses this staging area to transform blocking inter-application bulk data exchanges into best-effort local data movements between GPU and CPU. The dual channel dual staging is implemented as a portability extension of the Dataspaces-GPU staging framework. We present an experimental evaluation of its performance, portability, and scalability using this implementation on three leadership GPU clusters. The evaluation results demonstrate that the dual channel dual staging method saves up to 75% in data-exchange time compared to host-based, GDR, and alternate portable designs, while maintaining scalability (up to 512 GPUs) and performance portability across the three platforms.

Zhang, Bo [University of Utah]↗

DOE OSTI2015

Local respiratory motion correction for PET/CT imaging: Application to lung cancer

Purpose: Despite multiple methodologies already proposed to correct respiratory motion in the whole PET imaging field of view (FOV), such approaches have not found wide acceptance in clinical routine. An alternative can be the local respiratory motion correction (LRMC) of data corresponding to a given volume of interest (VOI: organ or tumor). Advantages of LRMC include the use of a simple motion model, faster execution times, and organ specific motion correction. The purpose of this study was to evaluate the performance of LMRC using various motion models for oncology (lung lesion) applications. Methods: Both simulated (NURBS based 4D cardiac-torso phantom) and clinical studies (six patients) were used in the evaluation of the proposed LRMC approach. PET data were acquired in list-mode and synchronized with respiration. The implemented approach consists first in defining a VOI on the reconstructed motion average image. Gated PET images of the VOI are subsequently reconstructed using only lines of response passing through the selected VOI and are used in combination with a center of gravity or an affine/elastic registration algorithm to derive the transformation maps corresponding to the respiration effects. Those are finally integrated in the reconstruction process to produce a motion free image over the lesion regions. Results: Although the center of gravity or affine algorithm achieved similar performance for individual lesion motion correction, the elastic model, applied either locally or to the whole FOV, led to an overall superior performance. The spatial tumor location was altered by 89% and 81% for the elastic model applied locally or to the whole FOV, respectively (compared to 44% and 39% for the center of gravity and affine models, respectively). This resulted in similar associated overall tumor volume changes of 84% and 80%, respectively (compared to 75% and 71% for the center of gravity and affine models, respectively). The application of the nonrigid deformation model in LRMC led to over an order of magnitude gain in computational efficiency of the correction relative to the application of the deformable model to the whole FOV. Conclusions: The results of this study support the use of LMRC as a flexible and efficient correction approach for respiratory motion effects for single lesions in the thoracic area.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Egret v. 0.1 (beta)

Egret is a package that provides tools for building electric grid optimization models. This software includes objects and functions for parsing, storing, and managing electric grid data. Egret also includes the following electric grid models: - ACOPF (alternating current optimal power flow) - DCOPF – a linearized transmission model - ACOPF relaxations - Unit commitment - Economic dispatch

Knueven, Bernard↗

DOE OSTI2021

Integrating deep neural networks with full-waveform inversion: Reparameterization, regularization, and uncertainty quantification

Full-waveform inversion (FWI) is an accurate imaging approach for modeling the velocity structure by minimizing the misfit between recorded and predicted seismic waveforms. However, the strong nonlinearity of FWI resulting from fitting oscillatory waveforms can trap the optimization in local minima. We have adopted a neural-network-based full-waveform inversion (NNFWI) method that integrates deep neural networks with FWI by representing the velocity model with a generative neural network. Neural networks can naturally introduce spatial correlations as regularization to the generated velocity model, which suppresses noise in the gradients and mitigates local minima. Furthermore, the velocity model generated by neural networks is input to the same partial differential equation (PDE) solvers used in conventional FWI. The gradients of the neural networks and PDEs are calculated using automatic differentiation, which back propagates gradients through the acoustic PDEs and neural network layers to update the weights of the generative neural network. Experiments on 1D velocity models, the Marmousi model, and the 2004 BP model determine that NNFWI can mitigate local minima, especially for imaging high-contrast features such as salt bodies, and it significantly improves the inversion in the presence of noise. Adding dropout layers to the neural network model also allows analyzing the uncertainty of the inversion results through Monte Carlo dropout. NNFWI opens a new pathway to combine deep learning and FWI for exploiting the characteristics of deep neural networks and the high accuracy of PDE solvers. Because NNFWI does not require extra training data and optimization loops, it provides an attractive and straightforward alternative to conventional FWI.

58 GEOSCIENCES↗

DOE OSTI2024

Data for Sustainable Co-Production of Plant Lipids and Cellulosic Sugars from Transgenic Energycane at an Industrially Relevant Scale: A Proof of Concept for Alternative Feedstocks

Development of sustainable and scalable technologies to convert lignocellulosic biomass to biofuels is critical to achieving carbon neutrality. The potential of transgenic bioenergy crops as a renewable source of sugars and lipids has been demonstrated at bench-scale. However, scaling up these processes is important for holistic analysis. Here proof-of-concept for chemical-free hydrothermal pretreatment of transgenic energycane-oilcane line L13 at an industrially relevant scale to recover vegetative lipids along with cellulosic sugars is presented. Pilot-scale processing of 97 kg of transgenic energycane-oilcane L13 stems and high solids pretreatment of bagasse enhanced the recovery of cellulosic glucose and xylose by 5-fold as compared to untreated bagasse and helped in the enrichment of vegetative lipids in the biomass residues which allowed its recovery at the end of the bioprocess. Palmitic and oleic acids were the predominant fatty acids (FAs) extracted from stems and leaves. The processing did not affect lipid composition. The efficiency of lipid recovery from untreated biomass was 75.9% which improved to 88.7% upon pretreatment. The vegetative tissues of transgenic energycane-oilcane L13 contained 0.42 metric tons/hectare of lipids. Processing vegetative tissues yielded 0.38 metric tons/hectare of lipids. This approaches an oil yield similar to soybean (global average 0.44 metric tons/hectare) and is almost twice as high as the oil yield from sugarcane engineered to hyperaccumulate lipids (0.20 metric tons/hectare). The study suggests that further optimization by state-of-the-art metabolic engineering and biomass processing can establish transgenic bioenergy crops for commercial drop-in fuel production.

Biomass Analytics↗

DOE OSTI2026

Fidelity-preserving enhancement of ptychography with foundational text-to-image models

Ptychographic phase retrieval enables high-resolution imaging of complex samples but often suffers from artifacts such as grid pathology and multislice crosstalk, which degrade reconstructed images. We propose a plug-and-play (PnP) framework that integrates physics model-based phase retrieval with text-guided image editing using foundational diffusion models. By employing the alternating direction method of multipliers, our approach ensures consensus between data fidelity and artifact removal subproblems, maintaining physical consistency while enhancing image quality. Artifact removal is achieved using a text-guided diffusion image editing method (LEDITS++) with a pre-trained foundational diffusion model, allowing users to specify artifacts for removal in natural language. Demonstrations on simulated and experimental datasets show significant improvements in artifact suppression and structural fidelity, validated by metrics such as peak signal-to-noise ratio and diffraction pattern consistency. This work highlights the combination of text-guided generative models and model-based phase retrieval algorithms as a transferable and fidelity-preserving method for high-quality diffraction imaging.

image editing↗

DOE OSTI2013

A Role-Based Access Control (RBAC) Schema for REAP Web App

This document discusses various issues in implementing a robust access control schema to secure the Reactor Embrittlement Archive Project (REAP) web application. REAP application has been designed to allow different types of users. Consequently, it is vital to ensure that REAP website has a robust security framework in order to prevent intrusion, to protect data and resources from misuse, and protect data from malicious or unintentional modification by users. Various possible alternatives for authentication frameworks in ASP.NET - Windows, Forms, Passport and custom (JOSSO) authentication frameworks are evaluated. It is concluded that Windows Authentication is apt for REAP. Various elements of implementation are discussed with examples.

Klasky, Hilda B.↗

DOE OSTI2019

Progress Report on Modified Burst Testing and Alternative Test Methodologies

Performance of accident-tolerant fuel candidates must be assessed during the pellet-cladding mechanical interaction (PCMI) phase of a design-basis reactivity-initiated accident (RIA). Therefore, in this report, we describe Fiscal Year (FY) 2019 research activities on the development of separate-effects testing for ATF cladding candidate iron-chromium-aluminum (FeCrAl) tube specimens under loading conditions comparable to the PCMI. The first section of this report provides modified-burst test (MBT) results of unirradiated FeCrAl tubes at various pressurization-rates and an RIA-relevant temperature (275°C). The failure strain of FeCrAl was observed and calculated using a high-speed digital-image correlation (DIC) technique developed recently under the Department of Energy (DOE)’s Advanced Fuel Campaign (AFC). To overcome the complexities of performing MBT in a hot-cell environment on irradiated samples, a “plane-strain tension” (PST) test was proposed as an alternative methodology for PCMI testing. The relevance of the PST test as an alternative to MBT for irradiated specimens was explicated using the data available in the literature. The design of hot-cell compatible PST fixtures and a specific holder for PST hot-cell specimen machining were developed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Machine Learning Enabled Sensor Fusion for In-Situ Defect Detection in Laser Powder Bed Fusion

Laser Powder Bed Fusion (L-PBF) Additive Manufacturing (AM) is among the metal 3D printing technologies most broadly adopted by the manufacturing industry. The current industry qualification paradigm for critical-application L-PBF parts relies heavily on expensive non-destructive inspection techniques such as X-Ray Computed Tomography (XCT), which significantly limits the use-cases of L-PBF. In situ monitoring of the process promises a less expensive alternative to ex situ testing, but existing sensor technologies and data analysis techniques struggle to detect sub-surface flaws (e.g., porosity and cracking) on production-scale L-PBF printers. RTX Technologies Research Center (RTRC) has licensed ORNL’s Peregrine software package – a printer- and camera-agnostic data analytics tool designed specifically for detecting process anomalies using in situ data collected during powder bed printing. The goal of this project was to feed temporally rich, multi-modal sensor data, including visible light, integrated near infrared (NIR), and spatially mapped co-axial melt pool thermal emission data into Peregrine to enable detection of subsurface flaws. XCT data was used as ground truth training data to allow Peregrine’s deep learning algorithms to recognize anomalies in these complex data streams in both test artifacts and industrially relevant geometries. Completion of this program has seen the successful implementation of multi-modal, multi-layer sensor data footprints for training of machine learning models in Peregrine. Flaws detected in XCT data have been successfully detected directly from this in situ data footprint, and initial analyses of the in situ probability-of-detection has been conducted, showing performance levels commensurate with traditional non-destructive evaluation (NDE) methods. The in situ monitoring methodology was then applied to an industrially relevant component that was using post-build NDE, highlighting the utility of the proposed method for hard-to-inspect AM components. As a direct result of this program, two journal manuscripts [1], [2] have been published in Additive Manufacturing, with additional manuscripts planned following program completion.

36 MATERIALS SCIENCE↗

DOE OSTI2024

FY24 Progress Report: SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking

Algorithms for Machine Learning (ML) and data analysis for the 3013 Surveillance Program have been developed in an ongoing collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). The objective of the algorithms is to automate the identification of corrosion and crack formation in the Inner Container Closure Weld Region (ICCWR) of the canister system used to store Pu-bearing material. Data for corrosion and cracking is collected from large binary files generated by a Laser Confocal Microscope (LCM), the Wide Area 3D Measurement System (WAMS), or,in a recent proposal, by a Scanning Electron Microscope (SEM). The ML software uses the physical attributes in the data files (e.g., one or more of: height, color, and 16-bit grayscale values as functions of position in a plane projection) to detect signs of surface corrosion and cracking after being trained on similar data, with the features to be detected. Although the initial scope included screening for broader indicators of corrosion, e.g., pitting, identification of potential cracks was prioritized for the past several years at the request of program leadership. Labeled training data is essential to developing the ML algorithm, and enhancements to data labeling capability have been developed to address this essential precursor to application of ML routines. Efficient labeling is particularly important in view of the large volume of data required to train ML algorithms and the relative rarity of cracks in the ICCWR data set. The updated program will read binary data from either LCM, WAMS or SEM files, interrogate data attributes, facilitate user labeling of data for training ML algorithms, execute ML algorithms, output parameters from trained ML algorithms, report ML model accuracy with respect to labeled data, and generate graphical representations for various analyses. In FY24, hourglass neural networks (HNNs) that were initiated in FY22 were further developed and tested using available LCM data, and their performance was tested against that of the alternative U-Net Neural Network algorithm structure. HNNs along with previously developed Convolutional Neural Networks (CNNs) and Deep Neural Networks (DNNs) comprise a suite of ML tools for identification of cracks in the ICCWR

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

On the accretion rates and radiative efficiencies of the highest-redshift quasars

We estimate the accretion rates onto the supermassive black holes that power 20 of the highest-redshift quasars, at z≳5.8, including the quasar with the highest redshift known to date—ULAS J1120 at z = 7.09. The analysis is based on the observed (rest-frame) optical luminosities and reliable “virial” estimates of the BH masses of the quasars, and utilizes scaling relations derived from thin accretion disk theory. The mass accretion rates through the postulated disks cover a wide range, M-dot {sub disk}≃4--190 M{sub ⊙} yr{sup −1}, with most of the objects (80%) having M-dot {sub disk}≃10--65 M{sub ⊙} yr{sup −1}, confirming the Eddington-limited nature of the accretion flows. By combining our estimates of M-dot {sub disk} with conservative, lower limits on the bolometric luminosities of the quasars, we investigate which alternative values of η best account for all the available data. We find that the vast majority of quasars (∼85%) can be explained with radiative efficiencies in the range η≃0.03--0.3, with a median value close to the commonly assumed η = 0.1. Within this range, we obtain conservative estimates of η≳0.14 for ULAS J1120 and SDSS J0100 (at z = 6.3), and of ≳0.19 for SDSS J1148 (at z=6.41; assuming their BH masses are accurate). The implied accretion timescales are generally in the range t{sub acc}≡M{sub BH}/ M-dot {sub BH}≃0.1--1 Gyr, suggesting that most quasars could have had ∼1--10 mass e-foldings since BH seed formation. Our analysis therefore demonstrates that the available luminosities and masses for the highest-redshift quasars can be explained self-consistently within the thin, radiatively efficient accretion disk paradigm. Episodes of radiatively inefficient, “super-critical” accretion may have occurred at significantly earlier epochs (i.e., z≳10).

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

The Hawaii Meteorology, Energy and Transmission (MET) Toolkit

Reliable long-term resource adequacy and grid planning in Hawaii require precise, multi-decadal meteorological records. This paper introduces the Hawaii Meteorology, Energy and Transmission (MET) Toolkit, a 26-year (2000-2025) high-fidelity atmospheric dataset developed by the National Laboratory of the Rockies (NLR). We present a validation study of the underlying WRF model configurations, comparing the legacy MYNN PBL scheme against an alternative YSU formulation. Using vertical lidar profiles and surface buoy data, our analysis identified a foundational geometric distortion in the legacy NOW-23 Hawaii dataset caused by an incorrect grid projection. When evaluated on a corrected, zero-distortion grid, the YSU scheme demonstrated superior performance in bias and cRMSE compared to the legacy setup. To address these findings, the MET Toolkit has been re-produced as a unified 26-year record using the optimized YSU setup and corrected geometry. This dataset offers the Hawaii power sector a robust, validated, and homogenous reference for future grid resilience and energy integration.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1972

Study of repeater technology for advanced multifunctional communications satellites

Investigations are presented concerning design concepts and implementation approaches for the satellite communication repeater subsystems of advanced multifunctional satellites. In such systems the important concepts are the use of multiple antenna beams, repeater switching (routing), and efficient spectrum utilization through frequency reuse. An information base on these techniques was developed and tradeoff analyses were made of repeater design concepts, with the work design taken in a broad sense to include modulation beam coverage patterns. There were five major areas of study: requirements analysis and processing; study of interbeam interference in multibeam systems; characterization of multiple-beam switching repeaters; estimation of repeater weight and power for a number of alternatives; and tradeoff analyses based on these weight and power data.

Source record↗

NASA NTRS1973

Data catalog of satellite experiments

The availability of space science data, a description of the data, and a description of the services supplied by the National Space Science Data Center (NSSDC) is presented. A series of cumulative indexes that reference the data descriptions contain: (1) a chronological listing of all spacecraft, experiments, and data descriptions; (2) an index of all spacecraft described, identified by common names and alternate names; (3) a listing of the original experiment institutions for experiments described; (4) a listing of the investigators associated with the experiments and their current affiliations; and (5) two displays of information about experiment data coverage for fields and particle data and a listing of all experiments sorted by phenomenon measured.

Source record↗

NASA NTRS1974

Evaluation of ERTS-1 data for acquiring land use data of northern Megalopolis

State planners are increasingly becoming interested in ERTS as a possible method for acquiring land use data. An important consideration to them is whether ERTS can provide such data at a savings in both time and money over alternative systems. A preliminary evaluation of ERTS as a planning tool is given.

Simpson, R. B.↗

NASA NTRS1977

Longitudinal aerodynamic characteristics at Mach numbers from 1.60 to 2.86 for a fixed-span missile with three wing planforms

Effects of wing planform modifications on the longitudinal aerodynamic characteristics of a fixed span, maneuverable cruciform missile configuration were determined. A basic delta planform and two alternate trapezoidal planforms having progressively increasing tip chords were included. Data were obtained for angles of attack up to approximately -32 deg, model roll angles of 0 deg to 45 deg, and tail control deflections of 0 deg and -20 deg. The experimental drag due to lift was compared with linear values.

Spearman, M. L.↗

NASA NTRS1978

Preliminary environmental assessment for the Satellite Power System (SPS). Volume 2: Detailed assessment

Volume 2 provides a preliminary assessment of the impact of the Satellite Power System (SPS) on the environment in a technically detailed format more suitable for peer review than the executive summary of Vol. 1. It serves to integrate and assimilate information that has appeared in documents referenced herein and to focus on issues that are purely environmental. It discloses the state-of-knowledge as perceived from recently completed DOE-sponsored studies and defines prospective research and study programs that can advance the state-of-knowledge and provide an expanded data base for use in an assessment planned for 1980. Alternatives for research that may be implemented in order to achieve this advancement are also discussed.

Source record↗

NASA NTRS1980

Onboard navigation - The near-earth options

This paper summarizes anticipated onboard navigation accuracies and user system characteristics for near-earth spacecraft. Alternate onboard systems configurations using inputs from the Tracking and Data Relay Satellite System (TDRSS) and the DOD NAVSTAR Global Positioning System (GPS) are described. Initial simulation results indicate that TDRSS will provide accuracies of 100 meters or less, and GPS can permit user spacecraft orbit determination to within 10 meters. Specific GPS user equipment developments for Landsat-D and Shuttle are outlined, along with future low-cost versions of these systems.

Kurzhals, P. S.↗