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At least 793 records · Page 44

RapidEELS: machine learning for denoising and classification in rapid acquisition electron energy loss spectroscopy

Recent advances in detectors for imaging and spectroscopy have afforded in situ, rapid acquisition of hyperspectral data. While electron energy loss spectroscopy (EELS) data acquisition speeds with electron counting are regularly reaching 400 frames per second with near-zero read noise, signal to noise ratio (SNR) remains a challenge owing to fundamental counting statistics. In order to advance understanding of transient materials phenomena during rapid acquisition EELS, trustworthy analysis of noisy spectra must be demonstrated. In this study, we applied machine learning techniques to denoise high frame rate spectra, benchmarking with slower frame rate “ground truths”. The results provide a foundation for reliable use of low SNR data acquired in rapid, in-situ spectroscopy experiments. Such a tool-set is a first step toward both automation in microscopy as well as use of these methods to interrogate otherwise poorly understood transformations.

36 MATERIALS SCIENCE↗

Particle Filter Based Inference Testing

The primary intent of PAR-FIT (Particle Filter based Inference Testing) is to provide hard inductive evidence that a machine learning model is capable and proven for an individual test input. By examining training data used to form the underlying model functional correlation, an estimate of the reliability that a model will make the correct prediction can be made. The Sequential Probability Ratio Test is used to derive a qualitative evaluation for reliability based on hypothesis testing. The PAR-FIT framework achieves this by implementing a particle filter and the sequential probability ratio test algorithms on the machine learning model training data to determine relevancy of new individual test samples to the training dataset. The kernel function evaluates the local proximity and density of training data used to derive a prediction outcome. Particles are used to probabilistically determine which training data to evaluate for proximity. For test samples that are within a close proximity to and surrounded by multiple training data points, the evaluated reliability of the prediction is high. For test samples that are anomalies not represented by the training dataset, in low density data clusters, or are far from existing data points, the evaluated reliability is low as insufficient training evidence exists to suggest the model is capable of making the correct prediction. Sequential Probability Ratio Test is further used to determine when a hypothesis on whether a signal can be rejected or accepted for use. The ratio test collects sequence information from the particle filter to test whether the signal is anomalous or normal via hypothesis testing of the underlying distributions.

Chen, Edward [Idaho National Laboratory (INL), Ida↗

Seamless Digital Environment – Plan for Data Analytics Use Case Study

The U.S Department of Energy Light Water Reactor Sustainability (LWRS) Program initiated research in to what is needed in order to provide a roadmap or model for Nuclear Power Plants to reference when building an architecture that can support the growing data supply and demand flowing through their networks. The Digital Architecture project published report Digital Architecture Planning Model (Oxstrand et. al, 2016) discusses things to consider when building an architecture to support the increasing needs and demands of data throughout the plant. Once the plant is able to support the data demands it still needs to be able to provide the data in an easy, quick and reliable method. A common method is to create a “one stop shop” application that a user can go to get all the data they need. The creation of this leads to the need of creating a Seamless Digital Environment (SDE) to integrate all the “siloed” data. An SDE is the desired perception that should be presented to users by gathering the data from any data source (e.g., legacy applications and work management systems) without effort by the user. The goal for FY16 was to complete a feasibility study for data mining and analytics for employing information from computer-based procedures enabled technologies for use in developing improved business analytics. The research team collaborated with multiple organizations to identify use cases or scenarios, which could be beneficial to investigate in a feasibility study. Many interesting potential use cases were identified throughout the FY16 activity. Unfortunately, due to factors out of the research team’s control, none of the studies were initiated this year. However, the insights gained and the relationships built with both PVNGS and NextAxiom will be valuable when moving forward with future research. During the 2016 annual Nuclear Information Technology Strategic Leadership (NITSL) group meeting it was identified would be very beneficial to the industry to support a research effort focused on data analytics. It was suggested that the effort would develop and evaluate use cases for data mining and analytics for employing information from plant sensors and database for use in developing improved business analytics.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Ultrafast method for scanning tunneling spectroscopy

A scanning tunneling microscope (STM) combines unique capabilities in imaging and spectroscopy with atomic precision, and it can obtain energy-resolved spectroscopic data with atomic resolution. In this paper, we utilize a recently proposed modification to the STM feedback control loop to acquire high quality d 2 I/dV 2 images. We have developed a constant differential conductance imaging method by closing the STM feedback loop with a high precision dI/dV measurement. In this mode, the tip’s vertical position is adjusted so as to keep the differential conductance constant during raster scanning of the surface. Based on this imaging mode, we propose a new technique to acquire fast and reliable scanning tunneling spectroscopy (STS) data simultaneously with the imaging.

47 OTHER INSTRUMENTATION↗

Micro-beam Laue alignment of multi-reflection Bragg coherent diffraction imaging measurements

Multi-reflection Bragg coherent diffraction imaging has the potential to allow three-dimensional (3D) resolved measurements of the full lattice strain tensor in specific micro-crystals. Until now such measurements were hampered by the need for laborious, time-intensive alignment procedures. Here, in this paper, a different approach is demonstrated, using micro-beam Laue X-ray diffraction to first determine the lattice orientation of the micro-crystal. This information is then used to rapidly align coherent diffraction measurements of three or more reflections from the crystal. Based on these, 3D strain and stress fields in the crystal are successfully determined. This approach is demonstrated on a focused ion beam milled micro-crystal from which six reflections could be measured. Since information from more than three independent reflections is available, the reliability of the phases retrieved from the coherent diffraction data can be assessed. Lastly, our results show that rapid, reliable 3D coherent diffraction measurements of the full lattice strain tensor in specific micro-crystals are now feasible and can be successfully carried out even in heavily distorted samples.

36 MATERIALS SCIENCE↗

Rapid Monitoring and Defense Approach for Resilience Improvement of Grid Cyber Security

Cyber-physical systems and electric utilities significantly depend on the reliability and efficiency of information and operational technology. However, false data injection attacks based on synchrophasor measurement data pose a serious threat to the safe and reliable operation of modern power systems. Here, to mitigate this problem, a rapid monitoring and defense approach is proposed to defend against cyber attacks. Initially, the Time and Frequency based Convolutional neural Network (TFCN) is proposed to detect different types of attacks. Within the TFCN, the advances are that both time and frequency domain information can be fused without extra spectrum analysis methods, and can save detection time to speed the calculation efficiency using the developed time-frequency block. Next, a comprehensive defense strategy is developed for multiple cyber attacks to ensure the stability and resilience of the power system according to the feedback detection results. The advances of this strategy are that different control strategies can be automatically selected to recover the stability to the greatest extent according to the detected attacks. To verify the effectiveness of the proposed approach, the high-speed frequency measurements collected from the wide-area monitoring system are used. The results demonstrate that the cyber attack detection performance can reach 95.57% accuracy, outperforming both traditional and some advanced neural networks. Importantly, the defense strategy is conducted and verified in a modified IEEE 39 bus system as well, which illustrates profound performance in faster stability restoration.

Comprehensive defense strategy↗

ON THE LANGUAGE OF RELIABILITY: A SYSTEM ENGINEER PERSPECTIVE

In its classical definition, risk is defined by three elements: what can go wrong, what are its consequences and how likely is it to occur. While this definition makes sense in a regulatory based framework to estimate risk associated to power plants (in terms of core damage frequency and large early release frequency), this approach does not provide a useful snapshot of the health of the plant. A possible alternate path can start by redefining the word “risk” to a broader meaning that better reflects the needs of a system health and asset management decision making process. Rather than asking how likely an event can occur (in probabilistic terms), we can ask how far this event is from occurring. We will show how, given the data available from plant equipment reliability and monitoring/diagnostic/prognostic centers, a margin can be described and determined for all type of maintenance approaches (e.g., corrective or predictive maintenance). We will show how to link SSC margin-based reliability models to system reliability models (i.e., fault trees) in order to assess system/plant health and how to perform margin-based system calculations. These calculations are not solved using classical probabilistic calculations applied to sets (as performed by any PRA code) but, instead, through metric spaces operations (i.e., distance/margin based approach).

97 - MATHEMATICS AND COMPUTING↗

Results of an interlaboratory study on the working curve in vat photopolymerization II: Towards a standardized method

The working curve measurement in photopolymer additive manufacturing is a ubiquitous measure of the cure depth of a printing resin as a function of radiant exposure of light. The fit parameters from this measurement (the depth of light penetration D p and the critical exposure E c ) are used to evaluate and report a resin’s printability, optimize processing parameters, and inform print and resin quality control. Despite its widespread use, the working curve lacks a standard measurement method. Here, following up on our paper “Results of an Interlaboratory Study on the Working Curve in Vat Photopolymerization” from last year, an interlaboratory study on the working curve was performed using calibrated, reproducible, bandpass filtered light sources. With these light sources, the variability between labs in measured working curves was dramatically reduced from the initial interlaboratory study. Aggregate data from this experiment produced reliable D p and E c measurements at 385 nm of 39.2 ± 3.7 µm and 12.3 ± 3.0 mJ cm −2 , respectively. At 405 nm the values of D p and E c are 69.3 ± 3.8 µm and 17.9 ± 2.3 mJ cm −2 , respectively. The results are agnostic to the thickness measurement tool utilized by participants, ensuring broad applicability across laboratories. We also tested the generalizability of the proposed method of using a filtered light source by filtering a commercial 405 nm light source and obtaining a working curve in agreement with the aggregate data from the interlaboratory study. This interlaboratory study provides a basis for a documentary standard for the working curve, so that the entire photopolymer additive manufacturing industry can share reproducible and interoperable working curve data.

36 MATERIALS SCIENCE↗

Design and performance of an in-vacuum, magnetic field mapping system for the Muon g-2 experiment

The E989 Muon g-2 experiment at Fermilab aims to measure the anomalous magnetic moment, a$_\mu$, of the muon with a precision of 140 parts-per-billion. This requires a precise measurement of both the anomalous spin precession frequency, $\omega_a$, and the average magnetic field in terms of the equivalent, free proton Larmor frequency, $\omega_p$. The measurement of $\omega_p$ with a total systematic uncertainty of 70 parts-per-billion involves a combination of various NMR probes. There are 378 probes in fixed locations constantly monitoring field drifts. A water-based probe provides the calibration in terms of $\omega_p$. A crucial element for the multi-step measurement of $\omega_p$ is the regular mapping of the magnetic field over the muon storage region. The former E821 experiment at Brookhaven employed an in-vacuum field mapping system equipped with 17 NMR probes, which was developed by the University of Heidelberg. We have refurbished and upgraded this system with new probes and electronics. The upgrades include a new communication scheme incorporating time-division multiplexing to separate the important NMR reference clock from the data communication. The addition digitization of the NMR signals replaced the hardware-implemented zero-crossing counting of the E821 system. The digitized signals offer new capabilities in the NMR frequency analysis and its related systematic uncertainties. While the mechanical systems that move the field mapper around the ring have been mostly refurbished, the motion control system was completely replaced with a custom-built electronics centered around a commercial Galil motion controller. Both the field mapping NMR system and its motion control were successfully commissioned at Fermilab and have been in reliable operation during the first data taking periods. This article provides details of the upgrades of the field mapper and its performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Diaspora: Resilience-Enabling Services for Real-Time Distributed Workflows

The need for real-time processing to enable automated decision making and experimental steering has driven a shift from high-performance computing workflows on a centralized system to a distributed approach that integrates remote data sources, edge devices, and diverse compute facilities. Under this paradigm, data can be processed close to the source where it is generated, thus reducing latency and bandwidth usage. System resilience is thus a key challenge, requiring distributed workflows to survive component failures and to meet stringent quality-of-service requirements, which results in the need to mitigate anomalies such as congestion and low availability of resources. To address these challenges, we propose Diaspora, a unified resilience framework that is inspired by event-driven communication patterns used in public clouds. Specifically, we propose an event fabric that extends across sites, facilities, and computations to provide timely, reliable, and accurate information about data, application, and resource status. On top of the event fabric, we build resilience-enabling services that combine QoS-aware data streaming, resilient data views, resilient compute and data resources, and anomaly detection and prediction, all of which collectively enhance workflow resilience for these scientific cases.

Rao, Nageswara↗

A Comparison of Fuel Choice for Backup Generators

This poster discusses the costs and benefits of backup generator configurations. We analyze the relative costs and benefits - in terms of economics and reliability - of natural gas versus diesel as fuels for backup systems. We find that, given our assumptions of fuel security for diesel and natural gas, natural gas generators are less likely than diesel generators to fail during a power outage. The differences in likelihoods of failure between natural gas and diesel generators are small for most regions and dependent on several assumptions. This indicates that differences in fuel source security are of second-order concern. We also find that grid-connected generators run for backup as well as additional services have higher reliability due to more frequent operation, and lower net costs than generators used solely for backup. At the same time, emergency-only systems may still be preferred, depending on permitting, noise, and air quality concerns.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Best Practices Handbook for the Collection and Use of Solar Resource Data for Solar Energy Applications: Fourth Edition

As the world increasingly seeks low-carbon energy solutions, solar power emerges as the most abundant resource on our planet. However, the challenge of effectively harnessing this energy is crucial in the coming years. Solar energy applications such as photovoltaics, solar heating and cooling, and concentrating solar power use different technologies to capitalize on sunlight. Each system has unique capabilities and requirements, underscoring the need for reliable information about solar resources across diverse installations, from residential rooftops to large-scale power plants. This is especially important for substantial projects, often exceeding $1 billion in construction costs. Before embarking on such ventures, it is imperative to obtain accurate data concerning solar resource quality and reliability at specific sites. Developers require detailed historical information, including seasonal, daily, hourly, and, ideally, subhourly variability to effectively predict a power plant's annual performance. Without these vital data, financial analyses fall short. Moreover, with the growing adoption of distributed photovoltaics, integrating these generation sources becomes critical to maintaining grid reliability and stability. By accurately forecasting generation patterns, utilities and system operators can facilitate greater integration of solar energy, thus ensuring the operational stability of the grid. The complexity and importance of these issues have prompted the foremost experts in the field to collaborate under the auspices of the International Energy Agency's (IEA's) Photovoltaic Power Systems Programme (PVPS) Task 16 to publish this handbook, which summarizes state-of-the-art information about all these topics. The efforts focus on providing reliable data and insights that can help shape our investments in solar energy and drive a sustainable future.

14 SOLAR ENERGY↗

Veridical data science

Building and expanding on principles of statistics, machine learning, and scientific inquiry, we propose the predictability, computability, and stability (PCS) framework for veridical data science. Our framework, composed of both a workflow and documentation, aims to provide responsible, reliable, reproducible, and transparent results across the data science life cycle. The PCS workflow uses predictability as a reality check and considers the importance of computation in data collection/storage and algorithm design. It augments predictability and computability with an overarching stability principle. Stability expands on statistical uncertainty considerations to assess how human judgment calls impact data results through data and model/algorithm perturbations. As part of the PCS workflow, we develop PCS inference procedures, namely PCS perturbation intervals and PCS hypothesis testing, to investigate the stability of data results relative to problem formulation, data cleaning, modeling decisions, and interpretations. We illustrate PCS inference through neuroscience and genomics projects of our own and others. Moreover, we demonstrate its favorable performance over existing methods in terms of receiver operating characteristic (ROC) curves in high-dimensional, sparse linear model simulations, including a wide range of misspecified models. Finally, we propose PCS documentation based on R Markdown or Jupyter Notebook, with publicly available, reproducible codes and narratives to back up human choices made throughout an analysis. The PCS workflow and documentation are demonstrated in a genomics case study available on Zenodo.

97 MATHEMATICS AND COMPUTING↗

Powering Circularity Through Data Reporting and Collection

Sustainability and Circular Economy have many metrics for evaluation. Calculating mass intensity, energy return on investment, financial payback, and recycling rate for proposed technology changes and lifecycle management can support decision making. Robust data with modeling tools can perform these calculations, informing good decision making. Analyses show that reliability is more critical than recyclability. Improved data gathering and tool accessibility will support our industry to make more circular choices for PV lifecycle management.

14 SOLAR ENERGY↗

An Empirical Study on the Use of the Rancor Microworld Simulator to Support Full-scope Data Collection

A lack of data has been identified as a major challenge in human reliability analysis (HRA). Accordingly, several institutes and researchers have tried to collect HRA data from different data sources such as actual historical measurements, expert judgements, or simulator studies. While the most recent studies predominantly focus on collecting data using full-scope simulators with actual operators, Idaho National Laboratory (INL) has begun to collect HRA data using a simplified simulator, i.e., the Rancor Microworld simulator, with student participants. Full-scope studies have been known to have several intrinsic challenges to securing enough quantity of the data due to many reasons like the high cost for performing experiments or requiring actual operators’ cooperation. The ultimate goal of INL’s effort aims to infer actual operators’ data collected from a full-scope simulator on the basis of microworld data with student subjects as well as collect additional data that could be missed in the full-scope research. As a first step to achieve this goal, this paper projects an experimental plan for investigating the differences in human performance between individuals in two groups: 1) an actual operator and 2) a student when using the Rancor Microworld simulator. A randomized factorial experiment design has been developed with two independent variables, i.e., type of scenario and type of subject. Six human performance measures, i.e., 1) time, 2) error, 3) workload, 4) situation awareness, 5) patterns of attention and 6) the number of manipulations were selected. A couple of scenarios and their procedures available to the Rancor Microworld simulator have been developed.

99 GENERAL AND MISCELLANEOUS↗

Handing off the outcome of binary neutron star mergers for accurate and long-term postmerger simulations

In this work, we perform binary neutron star (BNS) merger simulations in full dynamical general relativity with IllinoisGRMHD, on a Cartesian grid with adaptive-mesh refinement. After the remnant black hole has become nearly stationary, the evolution of the surrounding accretion disk on Cartesian grids over long timescales (~1s) is suboptimal, as Cartesian coordinates over-resolve the angular coordinates at large distances, and the accreting plasma flows obliquely across coordinate lines dissipating angular momentum artificially from the disk. To address this, we present the HandOff, a set of computational tools that enables the transfer of general relativistic magnetohydrodynamic (GRMHD) and spacetime data from IllinoisGRMHD to harm3d, a GRMHD code that specializes in modeling black hole accretion disks in static spacetimes over long timescales, making use of general coordinate systems with spherical topology. We demonstrate that the handoff allows for a smooth and reliable transition of GRMHD fields and spacetime data, enabling us to efficiently and reliably evolve BNS dynamics well beyond merger. We also discuss future plans, which involve incorporating advanced equations of state and neutrino physics into BNS simulations using the HandOff approach.

79 ASTRONOMY AND ASTROPHYSICS↗

Bridging the Gap between the X-ray Absorption Spectroscopy and the Computational Catalysis Communities in Heterogeneous Catalysis: A Perspective on the Current and Future Research Directions

X-ray absorption spectroscopy (XAS) [extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES)] is a key technique within the heterogeneous catalysis community to probe the structure and properties of the active site(s) for a diverse range of catalytic materials. Furthermore, the interpretation of the raw experimental data to derive an atomistic picture of the catalyst requires modeling and analysis; the EXAFS data are compared to a model, and a goodness of fit parameter is used to judge the best fit. This EXAFS modeling can often be nontrivial and time-consuming; overcoming or improving these limitations remains a central challenge for the community. Considering these limitations, this Perspective highlights how recent developments in analysis software, increased availability of reliable computational models, and application of data science tools can be used to improve the speed, accuracy, and reliability of EXAFS interpretation. In particular, we emphasize the advantages of combining theory and EXAFS as a unified technique that should be treated as a standard (when applicable) to identify catalytic sites and not two separate complementary methods. Building on the recent trends in the computational catalysis community, we also present a community-driven approach to adopt FAIR Guiding Principles for the collection, analysis, dissemination, and storage of XAS data. Written with both the experimental and theory audience in mind, we provide a unified roadmap to foster collaborations between the two communities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Contaminant point source localization error estimates as functions of data quantity and model quality

We develop empirically-grounded error envelopes for localization of a point contamination release event in the saturated zone of a previously uncharacterized heterogeneous aquifer into which a number of plume-intercepting wells have been drilled. We assume that flow direction in the aquifer is known exactly and velocity is known to within a factor of two of our best guess from well observations prior to source identification. Other aquifer and source parameters must be estimated by interpretation of well breakthrough data via the advection-dispersion equation. We employ high performance computing to generate numerous random realizations of aquifer parameters and well locations, simulate well breakthrough data, and then employ unsupervised machine optimization techniques to estimate the most likely spatial (or space-time) location of the source. Tabulating the accuracy of these estimates from the multiple realizations, we relate the size of 90% and 95% confidence envelopes to the data quantity (number of wells) and model quality (fidelity of ADE interpretation model to actual concentrations in a heterogeneous aquifer with channelized flow). We find that for purely spatial localization of the contaminant source, increased data quantities can make up for reduced model quality. For space-time localization, we find similar qualitative behavior, but significantly degraded spatial localization reliability and less improvement from extra data collection. Since the space-time source localization problem is much more challenging, we also tried a multiple-initial-guess optimization strategy. Furthermore, this greatly enhanced performance, but gains from additional data collection remained limited.

54 ENVIRONMENTAL SCIENCES↗