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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 163 records · Page 9
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Importance of Contrast-to-Noise Ratio Sensitivity Function in Nondestructive Evaluation

A reliable nondestructive evaluation (NDE) technique provides minimum 90% probability of detection (POD) with 95% confidence for detection of cracklike flaws of a specific size. This requirement comes from fracture control. Fracture control is a risk assessment and control approach for preventing structural failure of fracture critical hardware during its service life. One of the approaches of fracture control is damage tolerance safe life analysis, which assumes that NDE reliably detectable size flaw may exist in the hardware post nondestructive evaluation. Analysis and/or testing are performed to verify that the hardware will not fail during its service life despite existence of such a flaw. NDE methods are conventionally qualified by probability of detection (POD) demonstration testing to ensure reliable flaw detection. Here, a novel and alternative to POD flaw detection reliability approach that uses contrast-to-noise ratio (CNR) is given. The approach uses CNR sensitivity function (SF) and CNR. CNR SF is the minimum CNR needed for reliable flaw detection as a function of certain flaw indication characteristics. Primary difference between POD approaches and CNR flaw detection reliability approach is resolution of flaw detection system. POD approach does not account for the resolution of the system, while CNR approach accounts for the flaw detection resolution. Resolution is determined from the modulation transfer function (MTF) of the flaw detection system. CNR flaw detection reliability approach emphasizes quantitative assessment of “how well each flaw indication is detected”. Therefore, CNR approach is helpful in reducing number of flaws in the sample used in NDE procedure qualification, resulting in cost and time savings. CNR approach is also a case of multi-hit flaw detection analysis which has better flaw detectability size than conventional single-hit flaw detectability. Thus, CNR approach, where applicable, may be superior to conventional POD approach. The paper is an overview of development of CNR modeling, CNR SF modeling and measurement by the author. The paper gives key references to currently used NDE procedure POD qualification approaches including those specific to CNR and CNR SF development in multi-hit flaw detection in NDE. The paper covers core topics in nondestructive evaluation engineering.

Contrast-to-noise ratio↗
DOE OSTI2020

Feature Engineering and Process Mining to Enable Hazard Detection in Health Information Technology

Motivation for this work originates from a recognized need for developing data-driven approaches through analysis of complex electronic health records. Specifically, we aim to enhance the reliability of health information technology (HIT) systems by detection of plausible HIT hazards in clinical order transactions. In the absence of well-defined event logs in corporate data warehouses, our proposed approach identifies relevant timestamped data fields that could indicate transactions in the clinical order life cycle generating raw event sequences. Subsequently, we adopt state transitions of the OASIS Human Task standard to map the raw event sequences and simplify the complex process that clinical radiology orders go through. We describe how the current approach provides the potential to investigate areas of improvement and potential hazards in HIT systems. The discussion concludes with a use case and opportunities for future applications.

Ozmen, Ozgur↗
DOE OSTI2026

A Complexity Agnostic Clustering Engine for Time Projection Chambers and its Implementation in FPGA

A clustering functional block implemented in field-programable-gate-array (FPGA) for time projection chambers (TPC) operating with predictable time regardless the complexity of the event is described in this paper. The clustering functional block reorganizes input data and the hits data belonging to the same clusters are output together for further process in the later stages. The clustering operation consists of two phases, data filling phase and data outputting phase, and the later uses the same number of clock cycles as the data filling phase. The clustering block can accommodate events with arbitrary number of clusters and number of hits per cluster as long as the total number of hits is within a predesigned limit. The operation time is exactly twice of the data filling time with no residual O(n2) term. The clustering block has been implemented with operating frequency of 200 MHz in a low-cost FPGA evaluation module and test results confirm the expected performance.

Wu, Jinyuan [Fermilab] (ORCID:0000000344329521)↗
DOE OSTI2026

Microstructure and Composition of Passivating Interfaces in Silicon Heterojunction Solar Modules Weathered in Different Climates

Sanyo/Panasonic patented silicon heterojunction with intrinsic thin layer (HIT) solar cells in the 1990's, which demonstrated world record photovoltaic (PV) efficiency around 2014 and inspired the newer generations of silicon heterojunction technology (SHJ) as well as the current world record back-contact PV cell designs. The high-quality passivation strategy, utilizing ultra-thin layers of hydrogenated amorphous silicon (a-Si:H), leads to high voltages and long carrier lifetimes, but these qualities may degrade over time as the modules operate outdoors. Here, we investigate local microstructure and composition at the interface layers of cells from HIT modules weathered in a hot, humid climate (Florida, USA) and temperate climate (Colorado, USA) for 10 years. We employ a comprehensive set of high-resolution electron microscopy imaging and spectroscopy to directly resolve structure and composition in these cells down to the nanoscale. We show features such as alignment of the In2O3 transparent conducting oxide and a-Si:H layers on the textured c-Si facets, interfacial oxidation at the a-Si:H/c-Si and In2O3/a-Si:H interfaces, and twinned c-Si resulting from epitaxial growth into the a-Si:H layer. Our results raise potential degradation mechanisms in these outdoor-weathered modules, but the root cause of electrical loss remains uncertain due to the very small changes in aged samples. This study shows that many atomic scale features at the In2O3/a-Si:H/c-Si interfaces are surprisingly robust, and the electrical losses with aging may either be attributed to other pathways or be very sensitive to the subtle chemical and microstructural features observed here.

14 SOLAR ENERGY↗
DOE OSTI2025

Quantitative Assessment of Parent Well Effect on Hydraulic Fracture Propagation at HFTS2: Insights from Cross-Well Strain Measurements and Microseismic Data

Understanding fracture propagation behavior is essential for optimizing hydraulic fracturing in unconventional reservoirs. This study demonstrates the value of integrating Low-Frequency Distributed Acoustic Sensing (LF-DAS) and microseismic data, which together provide a more complete picture of fracture growth. Using data from Hydraulic Fracturing Test Site 2 (HFTS2), we identify stress changes in depletion zones induced by parent wells as a key factor influencing fracture propagation. This result is shown by new measurements of in-situ fracture propagation velocity and fracture-hit volume (fluid volume at fracture hit?) from LF-DAS and event density from microseismic. These findings highlight the importance of considering parent well effects, well spacing, and stimulation sequencing in completion design to improve reservoir development and production efficiency.

depletion zones↗
DOE OSTI2023

Optimizing pixel tracklet searches for shorter lifetimes

Pixel tracklets, disappearing tracks reconstructed with only pixel hits, have proven to be a promising technique in LHC analyses to search for dark matter candidates at the LHC that belong to a nearly-degenerate electroweak multiplet. However, a Pseudo-Dirac electroweak doublet fermion, arguably the most interesting such possibility, has a shorter lifetime and therefore existing tracklet searches are less sensitive in this case. We assess the performance of a tracklet search optimized for shorter lifetimes by requiring only three pixel hits for the tracklet reconstruction, and by demanding an accompanying soft track for suppressing backgrounds. We estimate how far the sensitivity of existing searches can be extended into the region of parameter space with this optimized search.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Nucleus capture by macroscopic dark matter

For a class of macroscopic dark matter with a large interaction strength with Standard Model particles, a nucleus could be captured by the dense, heavy dark matter as it traverses ordinary material. The radiated photon carries most of the binding energy and is a characteristic signature for dark matter detection. We develop analytic formulas and present numerical results for this radiative capture process in the low energy, non-dipole limit. Large-volume neutrino detectors like NOνA, JUNO, DUNE and Super(Hyper)-K may detect multi-hit or single-hit radiative capture events and can search for dark matter up to one gram in mass.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

$\mathrm{PPT}$-Multicore: performance prediction of Open$\mathrm{MP}$ applications using reuse profiles and analytical modeling

In this report we present PPT-Multicore, an analytical model embedded in the Performance Prediction Toolkit (PPT) to predict parallel applications’ performance running on a multicore processor. PPT-Multicore builds upon our previous work towards a multicore cache model. We extract LLVM basic block labeled memory trace using an architecture-independent LLVM-based instrumentation tool only once in an application’s lifetime. The model uses the memory trace and other parameters from an instrumented sequentially executed binary. We use probabilistic and computationally efficient reuse profiles to predict the cache hit rates and runtimes of OpenMP programs’ parallel sections. We model Intel’s Broadwell, Haswell, and AMD’s Zen2 architectures and validate our framework using different applications from PolyBench and PARSEC benchmark suites. The results show that PPT-Multicore can predict cache hit rates with an overall average error rate of 1.23% while predicting the runtime with an error rate of 9.08%.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Charged Particle Tracking via Edge-Classifying Interaction Networks

Recent work has demonstrated that geometric deep learning methods such as graph neural networks (GNNs) are well suited to address a variety of reconstruction problems in high-energy particle physics. In particular, particle tracking data are naturally represented as a graph by identifying silicon tracker hits as nodes and particle trajectories as edges, given a set of hypothesized edges, edge-classifying GNNs identify those corresponding to real particle trajectories. In this work, we adapt the physics-motivated interaction network (IN) GNN toward the problem of particle tracking in pileup conditions similar to those expected at the high-luminosity Large Hadron Collider. Assuming idealized hit filtering at various particle momenta thresholds, we demonstrate the IN’s excellent edge-classification accuracy and tracking efficiency through a suite of measurements at each stage of GNN-based tracking: graph construction, edge classification, and track building. The proposed IN architecture is substantially smaller than previously studied GNN tracking architectures; this is particularly promising as a reduction in size is critical for enabling GNN-based tracking in constrained computing environments. Furthermore, the IN may be represented as either a set of explicit matrix operations or a message passing GNN. Efforts are underway to accelerate each representation via heterogeneous computing resources towards both high-level and low-latency triggering applications.

accelerator physics↗
DOE OSTI2022

Detecting anomalous sequences in electronic health records using higher-order tensor networks

Detecting anomalous sequences is an integral part of building and protecting modern large-scale health information technology (HIT) systems. These HIT systems generate a large volume of records of patients’ state and significant events, which provide a valuable resource to help improve clinical decisions, patient care processes, and other issues. However, detecting anomalous sequences in electronic health records (EHR) remains a challenge in healthcare applications for several reasons, including imbalances in the data, complexity of relationships between events in the sequence, and the curse of dimensionality. Conventional anomaly detection methods use the finite sequence of events to discriminate sequences. They fail to incorporate salient event details under variable higher-order dependencies (e.g., duration between events) that can provide better discrimination of sequences in their models. To address this problem, we propose event sequence and subsequence anomaly detection algorithms that (1) use network-based representations of interactions in the data, (2) account for variable higher-order dependencies in the data, and (3) incorporate events duration for adequate discrimination of the data. The proposed approach identifies anomalies by monitoring the change in the graph after the test sequence is removed from the network. The change is quantified using graph distance metrics so that dramatic changes in the network can be attributed to the removed sequence. Furthermore, the proposed subsequence algorithm recommends plausible paths and salient information for the detected anomalous subsequences. Our results show that the proposed event sequence anomaly detection algorithm outperforms the baseline methods for both synthetic data and real-world EHR data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

RD53A: A large-scale prototype chip for the phase II upgrade in the serially powered HL-LHC pixel detectors

The phase II upgrade of the HL-LHC experiments within the LHC intends to deepen the studies of the Higgs boson and to allow the discovery of further particles by adding an integrated luminosity of about 4000 fb -1 over 10 years of operation. This upgrade would overwhelm the installed pixel detector readout chips with higher hit rates and radiation levels than ever before. To match these extreme requirements the RD53 collaboration, a joint effort between ATLAS and CMS, developed RD53A, a new generation pixel detector readout chip prototype manufactured in a 65 nm CMOS technology. It is half the size of the final pixel chips and designed to meet requirements in the face of 3 GHz/cm 2 hit rate after irradiation to 500 Mrad. The detector is able to use 50×50 μm 2 or 25×100 μm 2 pixels with high readout speed of up to 4 links per chip with 1.28 Gbit/s each. Shunt–LDO regulators integrated on the bottom of the chip provide the required voltages to the two power domains, analog and digital. These regulators enable serial powering of the pixel modules, which is the only feasible, radiation hard scheme to ensure acceptable power cable losses and to stay within the material budget for the future pixel detectors. Finally, an overview of the status and challenges of serial powering and the Shunt–LDO regulator development will be given.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Design, assembly and operation of a Cosmic Ray Tagger based on scintillators and SiPMs

The Mu2e experiment at Fermilab aims to search for the SM forbidden μ – → e – conversion in Al muonic atoms. The signal signature consists of 104.96 MeV electrons, identified by a straw-tube tracker and a crystal calorimeter, made of two annular disks. Here, in order to calibrate the calorimeter disks with minimum ionizing particles (MIP) before the installation, we have realized a Cosmic Ray Tagger (CRT) at Laboratori Nazionali di Frascati (LNF) of INFN. The CRT consists of two planes of eight 2.5 x 1.5 x 160 cm 3 plastic scintillator (EJ-200) bars, coupled to SiPMs on both edges, so as to estimate longitudinal hit positions from time differences. 3D MIP tracking is achieved by reconstructing hit positions in the two planes, placed above and below the disks, and allows to calibrate the energy response, to align the time offsets, and to study the detector performances dependence along the crystals axis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

RPC based tracking system at CERN GIF++ facility

With the HL-LHC upgrade of the LHC machine, an increase of the instantaneous luminosity by a factor of five is expected and the current detection systems need to be validated for such working conditions to ensure stable data taking. At the CERN Gamma Irradiation Facility (GIF++) many muon detectors undergo such studies, but the high gamma background can pose a challenge to the muon trigger system which is exposed to many fake hits from the gamma background. A tracking system using RPCs is implemented to clean the fake hits, taking profit of the high muon efficiency of these chambers. This work will present the tracking system configuration, used detector analysis algorithm and results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

AI-assisted object condensation clustering for calorimeter shower reconstruction at CLAS12

Several nuclear physics studies using the CLAS12 detector rely on the accurate reconstruction of neutrons and photons from its forward angle calorimeter system. These studies often place restrictive cuts when measuring neutral particles due to an overabundance of false clusters created by the existing calorimeter reconstruction software. In this work, we present a new AI approach to clustering CLAS12 calorimeter hits based on the object condensation framework. The model learns a latent representation of the full detector topology using GravNet layers, serving as the positional encoding for an event’s calorimeter hits which are processed by a Transformer encoder. This unique structure allows the model to contextualize local and long range information, improving its performance. Evaluated on one million simulated $e^-$ $+$ $p$ collision events, our method significantly improves cluster trustworthiness: the fraction of reliable neutron clusters, increasing from 8.88% to 30.73%, and photon clusters, increasing from 51.07% to 64.73%. In conclusion, our study also marks the first application of AI clustering techniques for hodoscopic detectors, showing potential for usage in many other experiments.

Calorimeters↗
DOE OSTI2020

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

In this work, we present a supercomputer-driven pipeline for in silico drug discovery using enhanced sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use of MD results by docking compound databases into representative protein binding-site conformations, thus taking into account the dynamic properties of the binding sites. We also describe preliminary results obtained for 24 systems involving eight proteins of the proteome of SARS-CoV-2. The MD involves temperature replica exchange enhanced sampling, making use of massively parallel supercomputing to quickly sample the configurational space of protein drug targets. Using the Summit supercomputer at the Oak Ridge National Laboratory, more than 1 ms of enhanced sampling MD can be generated per day. We have ensemble docked repurposing databases to 10 configurations of each of the 24 SARS-CoV-2 systems using AutoDock Vina. Comparison to experiment demonstrates remarkably high hit rates for the top scoring tranches of compounds identified by our ensemble approach. We also demonstrate that, using Autodock-GPU on Summit, it is possible to perform exhaustive docking of one billion compounds in under 24 h. Finally, we discuss preliminary results and planned improvements to the pipeline, including the use of quantum mechanical (QM), machine learning, and artificial intelligence (AI) methods to cluster MD trajectories and rescore docking poses.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Identification of KLHL12 Ligands Using Fragment-Based Methods

Targeted protein degradation can be induced by recruiting a protein of interest to an E3 ligase, resulting in its ubiquitination and subsequent proteasome-mediated degradation. However, only a small number of E3 ligases have been utilized for degradation. Expansion of the repertoire of useful E3 ligases via the identification of ligands to those ligases could broaden the scope and applicability of the degradation paradigm. We have identified KLHL12 as an E3 ligase with higher expression in cancer over normal tissues. We report here the use of NMR-based screening to identify fragments that bind to KLHL12, and X-ray structures of a fragment hit bound to KLHL12. Using this structural information, we optimized the hits, leading to the first reported small molecules that bind to KLHL12 with submicromolar affinity. Derivatives of these compounds may be useful for the construction of PROTACs to selectively degrade protein targets in tumors while sparing normal cells.

Amines↗
DOE OSTI2021

New Insights Into Error Decomposition for Precipitation Products

Abstract It is very important to quantify errors of precipitation estimation products. However, the existing methods do not describe all error components and are therefore not comprehensive enough. In this study, we propose a four‐component error decomposition method (4CED) that decomposes the total errors of precipitation products into four independent parts: hit positive bias, hit negative bias, false bias, and missed bias. And we use it to evaluate the performance of the three latest satellite precipitation products in the eastern monsoon region of China. Our study reveals 4CED has apparent improvements compared with the previous method. Results also provide new insights for tracking error sources and quantifying the error magnitudes of precipitation products. Moreover, the proposed 4CED can be extended to different spatial and temporal scales. Our new method will not only contribute to product upgrades, but also provide guidance for potential applications.

58 GEOSCIENCES↗
DOE OSTI2021

End-to-End Jet Classification of Boosted Top Quarks with CMS Open Data

We describe a novel application of the end-to-end deep learning technique to the task of discriminating top quark-initiated jets from those originating from the hadronization of a light quark or a gluon. The end-to-end deep learning technique combines deep learning algorithms and low-level detector representation of the high-energy collision event. In this study, we use lowlevel detector information from the simulated CMS Open Data samples to construct the top jet classifiers. To optimize classifier performance we progressively add low-level information from the CMS tracking detector, including pixel detector reconstructed hits and impact parameters, and demonstrate the value of additional tracking information even when no new spatial structures are added. Relying only on calorimeter energy deposits and reconstructed pixel detector hits, the end-to-end classifier achieves a ROC-AUC score of 0.975±0.002 for the task of classifying boosted top quark jets. After adding derived track quantities, the classifier ROC-AUC score increases to 0.9824±0.0013, serving as the first performance benchmark for these CMS Open Data samples.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗