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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 1,207 records · Page 67

Physics-Guided Machine Learning (PGML) for Improved Aerostructure Manufacturing

The Physics-Guided Machine Learning (PGML) for Improved Aerostructure Manufacturing project objective is to automatically tune machining parameter predictions from physics-based models using process data and Bayesian machine learning. The intent is to enable a step change in aerospace manufacturing by combining machine learning, physics-based process models, and sensors/data in a comprehensive digital environment that simultaneously considers the computer numerically controlled (CNC) machining center capabilities, the workpiece material and geometry, and the workpiece support (fixturing). The project hypothesis is that this combination will enable improved performance in machining operations.

42 ENGINEERING↗

Boundary Layer Exploration of Aerosols and Clouds ON Ships (BEACONS)

BEACONS aims to demonstrate autonomous deployment of a shipborne system that routinely observes atmospheric, cloud, and aerosol properties. These observations enable scientists to study aerosol-cloud interactions, advancing energy resilience and the Department of Energy's mission to improve model prediction. Key Project Outcomes Autonomous deployment of aerosol and cloud measurement systems aboard a Pasha Hawaii Marjorie C commercial ship. Six-month campaign for continuous, high-resolution aerosol and cloud data collection with minimal crew intervention. Development and testing of instruments in two phases, advancing from essential to complex systems. AI-ready processed data on the BEACONS Data Platform for near-real-time data access. Validation of aerosol-cloud interaction hypotheses for improved modeling. Establishment of best practices for instrument deployment in marine environments. Scientific collaboration to support the U.S. Department of Energy (DOE) Biological and Environmental Research (BER) mission.

54 ENVIRONMENTAL SCIENCES↗

Integration of Titan supercomputer at OLCF with ATLAS Production System

The PanDA (Production and Distributed Analysis) workload management system was developed to meet the scale and complexity of distributed computing for the ATLAS experiment. PanDA managed resources are distributed worldwide, on hundreds of computing sites, with thousands of physicists accessing hundreds of Petabytes of data and the rate of data processing already exceeds Exabyte per year. While PanDA currently uses more than 200,000 cores at well over 100 Grid sites, future LHC data taking runs will require more resources than Grid computing can possibly provide. Additional computing and storage resources are required. Therefore ATLAS is engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. In this paper we will describe a project aimed at integration of ATLAS Production System with Titan supercomputer at Oak Ridge Leadership Computing Facility (OLCF). Current approach utilizes modified PanDA Pilot framework for job submission to Titan's batch queues and local data management, with lightweight MPI wrappers to run single node workloads in parallel on Titan's multi-core worker nodes. It provides for running of standard ATLAS production jobs on unused resources (backfill) on Titan. The system already allowed ATLAS to collect on Titan millions of core-hours per month, execute hundreds of thousands jobs, while simultaneously improving Titans utilization efficiency. We will discuss the details of the implementation, current experience with running the system, as well as future plans aimed at improvements in scalability and efficiency.

Megino, F. Barreiro↗

3D Reconstruction of a High-Energy Diffraction Microscopy Sample Using Multi-modal Serial Sectioning with High-Precision EBSD and Surface Profilometry

High-energy diffraction microscopy (HEDM) combined with in situ mechanical testing is a powerful nondestructive technique for tracking the evolving microstructure within polycrystalline materials during deformation. This technique relies on a sophisticated analysis of X-ray diffraction patterns to produce a three-dimensional reconstruction of grains and other microstructural features within the interrogated volume. However, it is known that HEDM can fail to identify certain microstructural features, particularly smaller grains or twinned regions. Characterization of the identical sample volume using high-resolution surface-specific techniques, particularly electron backscatter diffraction (EBSD), can not only provide additional microstructure information about the interrogated volume but also highlight opportunities for improvement of the HEDM reconstruction algorithms. In this study, a sample fabricated from undeformed “low solvus, high refractory” nickel-based superalloy was scanned using HEDM. The volume interrogated by HEDM was then carefully characterized using a combination of surface-specific techniques, including epi-illumination optical microscopy, zero-tilt secondary and backscattered electron imaging, scanning white light interferometry, and high-precision EBSD. Custom data fusion protocols were developed to integrate and align the microstructure maps captured by these surface-specific techniques and HEDM. The raw and processed data from HEDM and serial sectioning have been made available via the Materials Data Facility (MDF) at https://doi.org/10.18126/4y0p-v604 for further investigation.

36 MATERIALS SCIENCE↗

Aerosol emissions from water-lean solvents for post-combustion CO 2 capture

Advanced water-lean solvents (WLS) for post-combustion CO 2 capture have been gaining interest due to their ability to reduce the parasitic penalty from energy needed for solvent regeneration. Commercial implementation of these novel CO 2 capture technologies hinges on successful control of amine emissions. RTI conducted a parametric study of fundamental and operational variables influence on overall amine aerosol and vapor emissions from our water-lean solvent eCO 2 Sol™ using our 6-kW equivalent bench-scale gas absorption system. The parametric testing used a simulated flue gas with 15 % CO 2 , 2.3–4.2 % H 2 O, and 0–6 ppm sulfite (SO 3 ) to examine the impact of the presence of aerosols to the capture performance and amine emissions from the system. The SO 3 reacts with water in the flue gas to create H 2 SO 4 , which forms liquid aerosol droplets and provide nucleation sites for growth of aerosols. Scanning Mobility Particle Sizer and Aerodynamic Particle Sizer instruments monitored the aerosol particle size distribution. Parametric testing results suggested that the presence of the aerosols in the flue gas could increase the overall amine emissions by 10X compared to the baseline emissions from WLS’s vapor pressure. Principal component analysis (PCA) and projection to latent squares (PLS) developed models to predict the aerosol-based amine emissions from process data. The predictive PLS model had a correlation coefficient (Q 2 ) of 0.92 and could predict the aerosol-based emissions from the NAS process with ±15 % accuracy (average absolute deviation, AAD). The PLS regression model also identified key variables affecting aerosol-based emissions from WLS.

42 ENGINEERING↗

Accelerating Lossy and Lossless Compression on Emerging BlueField DPU Architectures

Data compression has become a crucial technique in addressing performance bottlenecks caused by increasing data volumes in High-Performance Computing (HPC), Big Data, and Deep Learning (DL). Despite its potential to boost system performance, recent studies have identified significant challenges with existing compression methods, mainly due to their high computational demands amidst continuously growing data sizes. Concurrently, the advent of Data Processing Units (DPUs), equipped with programmable System-on-Chip (SoC) and specialized compression accelerators, offers a promising opportunity to alter the landscape of data compression. This paper explores the complexities and potential of leveraging NVIDIA BlueField DPUs to accelerate lossy and lossless compression. Towards this, we introduce PEDAL, an innovative library that leverages the hardware capabilities of DPUs to unify and optimize data compression designs. Moreover, we seamlessly co-design PEDAL with the popular MPICH MPI library, demonstrating up to 101x speedup in compression time and 88x decrease in communication latency. Drawing on these achievements, we share our experience with various research communities about accelerating data compression on DPUs in communication-oriented HPC scenarios.

Li, Yuke↗

WE-AB-207B-07: Dose Cloud: Generating “Big Data” for Radiation Therapy Treatment Plan Optimization Research

Purpose: To provide a tool to generate large sets of realistic virtual patient geometries and beamlet doses for treatment optimization research. This tool enables countless studies exploring the fundamental interplay between patient geometry, objective functions, weight selections, and achievable dose distributions for various algorithms and modalities. Methods: Generating realistic virtual patient geometries requires a small set of real patient data. We developed a normalized patient shape model (PSM) which captures organ and target contours in a correspondence-preserving manner. Using PSM-processed data, we perform principal component analysis (PCA) to extract major modes of variation from the population. These PCA modes can be shared without exposing patient information. The modes are re-combined with different weights to produce sets of realistic virtual patient contours. Because virtual patients lack imaging information, we developed a shape-based dose calculation (SBD) relying on the assumption that the region inside the body contour is water. SBD utilizes a 2D fluence-convolved scatter kernel, derived from Monte Carlo simulations, and can compute both full dose for a given set of fluence maps, or produce a dose matrix (dose per fluence pixel) for many modalities. Combining the shape model with SBD provides the data needed for treatment plan optimization research. Results: We used PSM to capture organ and target contours for 96 prostate cases, extracted the first 20 PCA modes, and generated 2048 virtual patient shapes by randomly sampling mode scores. Nearly half of the shapes were thrown out for failing anatomical checks, the remaining 1124 were used in computing dose matrices via SBD and a standard 7-beam protocol. As a proof of concept, and to generate data for later study, we performed fluence map optimization emphasizing PTV coverage. Conclusions: We successfully developed and tested a tool for creating customizable sets of virtual patients suitable for large-scale radiation therapy optimization research.

60 APPLIED LIFE SCIENCES↗

Multiphysics Integrated Coupling Environment (MICE) User Manual

The complex, multi-part nature of waste glass melters used in nuclear waste vitrification poses significant modeling challenges. The focus of this project has been to couple a 1D MATLAB model of the cold cap region within a melter with a 3D STAR-CCM+ model of the melter itself. The Multiphysics Integrated Coupling Environment (MICE) has been developed to create a cohesive simulation of a waste glass melter that accurately represents the cold cap. The one-dimensional mathematical model of the cold cap uses material properties, axial heat, and mass fluxes to obtain a temperature profile for the cold cap, the region where feed-to-glass conversion occurs. The results from Matlab are used to update simulation data in the three-dimensional STAR-CCM+ model so that the cold cap is appropriately incorporated into the 3D simulation. The two processes are linked through ModelCenter integration software using time steps that are specified for each process. Data is to be exchanged circularly between the two models, as the inputs and outputs of each model depend on the other.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

JET-ILW Nonlinear Pedestal ETG Data

Contains data for paper on nonlinear pedestal electron-temperature-gradient turbulence simulations: *.py # python plotting scripts for generating paper plots. *.txt, *.npy # post-processed data required for plotting scripts. *.png, *.eps, *.pdf # paper plots. *.in # gs2 and stella input files for simulations in this paper. stella used for nonlinear simulations (https://github.com/mabarnes/stella)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reliability and performance of a system-on-a-chip by predictive wear-out based activation of functional components

A processor-implemented method for determining aging of a processing unit in a processor the method comprising: calculating an effective aging profile for the processing unit wherein the effective aging profile quantifies the effects of aging on the processing unit; combining the effective aging profile with process variation data, actual workload data and operating conditions data for the processing unit; and determining aging through an aging sensor of the processing unit using the effective aging profile, the process variation data, the actual workload data, architectural characteristics and redundancy data, and the operating conditions data for the processing unit.

97 MATHEMATICS AND COMPUTING↗

Rootkit detection system

A system and method (referred to as the system) detect infectious code. The system injects a repetitive software code that causes malware in a monitored device to render a detectable direct current power consumption profile. A guide wave generator generates a guide wave signal that establishes an observational window that is applied to data that represent a direct current source power consumption of the monitored device. An extraction device extracts a portion of the data that represent the direct current source power consumption of the monitored device. A deviation engine identifies the malware on the monitored device without processing data associated with a prior identification of the malware or identifying a source of the malware or identifying a location of the malware on the monitored device.

Dawson, Joel↗

Real-Time event reconstruction for Nuclear Physics Experiments using Artificial Intelligence

Charged track reconstruction is a critical task in nuclear physics experiments, enabling the identification and analysis of particles produced in high-energy collisions. Machine learning (ML) has emerged as a powerful tool for this purpose, addressing the challenges posed by complex detector geometries, high event multiplicities, and noisy data. Traditional methods rely on pattern recognition algorithms like the Kalman filter, but ML techniques, such as neural networks, graph neural networks (GNNs), and recurrent neural networks (RNNs), offer improved accuracy and scalability. By learning from simulated and real detector data, ML models can identify and classify tracks, predict trajectories, and handle ambiguities caused by overlapping or missing hits. Moreover, ML-based approaches can process data in near-real-time, enhancing the efficiency of experiments at large-scale facilities like the Large Hadron Collider (LHC) and Jefferson Lab (JLAB). As detector technologies and computational resources evolve, ML-driven charged track reconstruction continues to push the boundaries of precision and discovery in nuclear physics. In these proceedings, we highlight advancements in charged track identification leveraging Artificial Intelligence within the CLAS12 detector, achieving a notable enhancement in experimental statistics compared to traditional methods. Additionally, we showcase real-time event reconstruction capabilities, including the inference of charged particle properties, such as momentum, direction, and species identification, at speeds matching data acquisition rates. These innovations enable the extraction of physics observables directly from the experiment in real-time.

Gavalian, Gagik (ORCID:0000000267385457)↗

Using convolutional neural networks to detect edge localized modes in DIII-D from Doppler backscattering measurements

In H-mode tokamak plasmas, the plasma is sometimes ejected beyond the edge transport barrier. These events are known as edge localized modes (ELMs). ELMs cause a loss of energy and damage the vessel walls. Understanding the physics of ELMs, and by extension, how to detect and mitigate them, is an important challenge. In this paper, we focus on two diagnostic methods—deuterium-alpha (D α ) spectroscopy and Doppler backscattering (DBS). The former detects ELMs by measuring Balmer alpha emission, while the latter uses microwave radiation to probe the plasma. DBS has the advantages of having a higher temporal resolution and robustness to damage. These advantages of DBS diagnostic may be beneficial for future operational tokamaks, and thus, data processing techniques for DBS should be developed in preparation. In sight of this, we explore the training of neural networks to detect ELMs from DBS data, using D α data as the ground truth. With shots found in the DIII-D database, the model is trained to classify each time step based on the occurrence of an ELM event. The results are promising. When tested on shots similar to those used for training, the model is capable of consistently achieving a high f1-score of 0.93. Furthermore, this score is a performance metric for imbalanced datasets that ranges between 0 and 1. We evaluate the performance of our neural network on a variety of ELMs in different high confinement regimes (grassy ELM, RMP mitigated, and wide-pedestal), finding broad applicability. Beyond ELMs, our work demonstrates the wider feasibility of applying neural networks to data from DBS diagnostic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Models for synthetic data generation

The software includes a suite of probabilistic statistical/machine learning models that can generate discrete synthetic data. Each model is trained on a set of real (private) data and then it can be used to generate synthetic but statistically similar data. Once ready, the model can generate as many samples as we want. Finally, in addition to the actual models, the software includes code to process data, evaluate results (based on cross validation), and produce reports.

De Oliveira Sales, Ana Paula↗

EGS Collab Experiment 2: Microseismic Monitoring

This dataset contains continuous seismic waveform data recorded during stimulation and thermal circulation tests for the Enhanced Geothermal Systems (EGS) Collab Experiment #2, conducted from February to September 2022 at the Sanford Underground Research Facility in Lead, South Dakota. This experiment aimed to study and validate models of geothermal systems by injecting high-pressure fluids into rock formations 1200-1500 meters below the surface, inducing microseismic events. The seismic monitoring system included 16 three-component accelerometers and a 24-channel hydrophone array, installed in boreholes surrounding the test area. Data were recorded at high sampling rates using a continuous waveform recording system to monitor seismic activity in real time. The dataset contains the raw data stored in binary format, with files named based on timestamps, and includes calibration certificates for some sensors to facilitate corrections to real units. Users are strongly advised to consult the accompanying detailed report, which outlines the experimental setup, sensor specifications, installation procedures, and data processing methods. The report also describes important nuances, such as the hardware filters on hydrophones, sensor calibration details, and the naming conventions for the recorded data. Proper use of this dataset may require familiarity with seismic data analysis tools, such as the Obspy Python package, and an understanding of the SEED naming conventions used for channel identification.

15 GEOTHERMAL ENERGY↗

Privacy by Design in Distributed Edge Systems: Innovating Secure Workflows for Smart Cities

The proliferation of distributed edge systems, such as those in smart cities, healthcare, and industrial IoT, offers unprecedented opportunities for data processing closer to its source, thereby reducing latency and enhancing efficiency. However, these systems also present significant privacy challenges due to the handling of sensitive data from multiple sources. This article explores the critical need for designing privacy-preserving workflows in distributed edge systems to ensure data security while maximizing the potential of edge computing. By examining the challenges, technological advancements, and potential of privacy-by-design approaches, we highlight the importance of integrating advanced privacy-preserving techniques like federated learning, differential privacy, homomorphic encryption, secure multi-party computation, and zero-knowledge proofs. These innovations are crucial for enhancing data security, regulatory compliance, and public trust in smart city applications, ultimately leading to safer and more efficient urban environments.

Kotevska, Olivera↗

Data for "Understanding multiscale disorder in superconducting nanowire single photon detectors"

This dataset addresses DC transport, dark-count measurements, and bias-dependent microwave transmission spectroscopy of superconducting nanowire. This publication includes the raw and processed data to produce figures in the paper "Understanding multiscale disorder in superconducting nanowire single photon detectors" (Sarkar et al., 2026).

Sarkar, Nirjhar [Oak Ridge National Laboratory] (O↗

Rapid Automated Annotation and Analysis of N-Glycan Mass Spectrometry Imaging Data Sets Using NGlycDB in METASPACE

Imaging N-glycan spatial distribution in tissues using mass spectrometry imaging (MSI) is emerging as a promising tool in biological and clinical applications. However, there is currently no high throughput tool for visualization and molecular annotation of N-glycans in MSI data, which significantly slows down data processing and hampers the applicability of this approach. In this work, we present how METASPACE, an open-source cloud engine for molecular annotation of MSI data, can be used to automatically annotate, visualize, analyze, and interpret high-resolution mass spectrometry-based spatial N-glycomics data. METASPACE is an emerging tool in spatial metabolomics, but the lack of compatible glycan databases has limited its application for comprehensive N-glycan annotations from MSI datasets. We created NGlycDB, a public database of N-glycans, by adapting available glycan databases. We demonstrate the applicability of NGlycDB in METASPACE by analyzing MALDI-MSI data from formalin-fixed paraffin-embedded (FFPE) human kidney and mouse lung tissue sections. We added NGlycDB to METASPACE for public use, thus facilitating applications of MSI in glycobiology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗