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At least 631 records · Page 35

A bi-channel aided stitching of atomic force microscopy images

Microscopy is an essential tool in scientific research, enabling the visualization of structures at micro- and nanoscale resolutions. However, the field of microscopy often encounters limitations in field-of-view (FOV), restricting the amount of sample that can be imaged in a single capture. To overcome this limitation, image stitching techniques have been developed to seamlessly merge multiple overlapping images into a single, high-resolution composite. The images collected from microscope need to be optimally stitched before accurate physical information can be extracted from post analysis. However, the existing stitching tools either struggle to stitch images together when the microscopy images are feature sparse or cannot address all the transformations of images when performing image stitching. To address these issues, we propose a bi-channel aided feature-based image stitching method and demonstrate its use on Atomic Force Microscopy (AFM) generated Pantoea sp. YR343 biofilm and PTO thin film sample images as experimental data. The topographical channel image of AFM data captures the morphological details of the sample, and a stitched topographical image is desired for researchers. We utilize the amplitude and phase channels of AFM data to maximize the matching features and to estimate the position of the original topographical images and show that the proposed bi-channel aided stitching method outperforms the traditional direct stitching approach in AFM topographical image stitching task. Here, we demonstrated the application on AFM, but similar approaches could be employed of optical microscopy with brightfield and fluorescence channels. We believe this proposed workflow can serve as a valuable augmentation strategy for microscopy image stitching tasks and will benefit the experimentalist to avoid erroneous analysis and discovery due to incorrect stitching.

Atomic force microscopy↗

Rapid Application Development with OpenStudio: Preprint

This paper presents several case studies of rapidly implemented, audience-specific applications for whole building energy modeling and standards analysis. By tailoring each application to the audience and the task at hand, the required learning curve for new users was greatly reduced. Each case study used OpenStudio, the U.S. Department of Energy's middleware software development kit (SDK).OpenStudio provides an easy interface to the EnergyPlus whole building simulation engine, while extending its capability and providing higher-level functionality such as software interoperability, standards, analysis, and optimization. Each case study is unique in the technology employed to interface with OpenStudio as well as the methods used for user interaction and data presentation. Fourcase studies are presented.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Curifactory: A research experiment manager

Curifactory is a command line tool and framework for organizing Python experiment code, configuration parameters, and results. It is an opinionated and lightweight approach to workflow management infrastructure and is primarily intended to support researchers conducting experiments on one machine. This software was developed to support the reproducibility of results for several data science projects in the Nuclear Nonproliferation Division at Oak Ridge National Laboratory. Curifactory is intended to be a general framework and is not specific to machine learning or data science. It can aid in any field in which experiments are primarily computation-based studies and can be implemented in Python (e.g., high-energy physics, astronomy, computational chemistry). Here, the design emphasizes the automated caching of intermediate data analysis artifacts to speed up development involving computationally intensive tasks. It also allows for data provenance and experiment reproduction. Individual experiment runs are tracked through logs and their output reports, and entire copies of a run with all cached data and metadata can be exported for others to run using Curifactory on another machine. Curifactory experiments can either be integrated into a project from the beginning or can be written on top of an existing codebase without needing significant modification. A few important views of the Curifactory library can be seen in Figure 1.

97 MATHEMATICS AND COMPUTING↗

Observing System Simulation Experiments (OSSEs) for the Mid-Columbia Basin

The overall goal of this multi-phased research project known as WindSENSE is to develop an observation system deployment strategy that would improve wind power generation forecasts. The objective of the deployment strategy is to produce the maximum benefit for 1- to 6-hour ahead forecasts of wind speed at hub-height ({approx}80 m). In this phase of the project the focus is on the Mid-Columbia Basin region, which encompasses the Bonneville Power Administration (BPA) wind generation area (Figure 1) that includes the Klondike, Stateline, and Hopkins Ridge wind plants. There are two tasks in the current project effort designed to validate the Ensemble Sensitivity Analysis (ESA) observational system deployment approach in order to move closer to the overall goal: (1) Perform an Observing System Experiment (OSE) using a data denial approach. The results of this task are presented in a separate report. (2) Conduct a set of Observing System Simulation Experiments (OSSE) for the Mid-Colombia basin region. This report presents the results of the OSSE task. The specific objective is to test strategies for future deployment of observing systems in order to suggest the best and most efficient ways to improve wind forecasting at BPA wind farm locations. OSSEs have been used for many years in meteorology to evaluate the potential impact of proposed observing systems, determine tradeoffs in instrument design, and study the most effective data assimilation methodologies to incorporate the new observations into numerical weather prediction (NWP) models (Atlas 1997; Lord 1997). For this project, a series of OSSEs will allow consideration of the impact of new observing systems of various types and in various locations.

17 WIND ENERGY↗

Experimental and Analytic Study on the Core Bypass Flow in a Very High Temperature Reactor

Core bypass flow has been one of key issues in the very high temperature reactor (VHTR) design for securing core thermal margins and achieving target temperatures at the core exit. The bypass flow in a prismatic VHTR core occurs through the control element holes and the radial and axial gaps between the graphite blocks for manufacturing and refueling tolerances. These gaps vary with the core life cycles because of the irradiation swelling/shrinkage characteristic of the graphite blocks such as fuel and reflector blocks, which are main components of a core's structure. Thus, the core bypass flow occurs in a complicated multidimensional way. The accurate prediction of this bypass flow and counter-measures to minimize it are thus of major importance in assuring core thermal margins and securing higher core efficiency. Even with this importance, there has not been much effort in quantifying and accurately modeling the effect of the core bypass flow. The main objectives of this project were to generate experimental data for validating the software to be used to calculate the bypass flow in a prismatic VHTR core, validate thermofluid analysis tools and their model improvements, and identify and assess measures for reducing the bypass flow. To achieve these objectives, tasks were defined to (1) design and construct experiments to generate validation data for software analysis tools, (2) determine the experimental conditions and define the measurement requirements and techniques, (3) generate and analyze the experimental data, (4) validate and improve the thermofluid analysis tools, and (5) identify measures to control the bypass flow and assess its performance in the experiment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Iterative self-organizing SCEne-LEvel sampling (ISOSCELES) for large-scale building extraction

Convolutional neural networks (CNN) provide state-of-the-art performance in many computer vision tasks, including those related to remote-sensing image analysis. Successfully training a CNN to generalize well to unseen data, however, requires training on samples that represent the full distribution of variation of both the target classes and their surrounding contexts. With remote sensing data, acquiring a sufficiently representative training set is a challenge due to both the inherent multi-modal variability of satellite or aerial imagery and the general high cost of labeling data. To address this challenge, we have developed ISOSCELES, an Iterative Self-Organizing SCEne LEvel Sampling method for hierarchical sampling of large image sets. Using affinity propagation, ISOSCELES automates the selection of highly representative training images. Compared to random sampling or using available reference data, the distribution of the training is principally data driven, reducing the chance of oversampling uninformative areas or undersampling informative ones. In comparison to manual sample selection by an analyst, ISOSCELES exploits descriptive features, spectral and/or textural, and eliminates human bias in sample selection. Using a hierarchical sampling approach, ISOSCELES can obtain a training set that reflects both between-scene variability, such as in viewing angle and time of day, and within-scene variability at the level of individual training samples. We verify the method by demonstrating its superiority to stratified random sampling in the challenging task of adapting a pre-trained model to a new image and spatial domain for country-scale building extraction. Using a pair of hand-labeled training sets comprising 1,987 sample image chips, a total of 496,000,000 individually labeled pixels, we show, across three distinct model architectures, an increase in accuracy, as measured by F1-score, of 2.2–4.2%.

42 ENGINEERING↗

Assessment of Tidal Energy Removal Impacts on Physical Systems: Development of MHK Module and Analysis of Effects on Hydrodynamics

In this report we describe (1) the development, test, and validation of the marine hydrokinetic energy scheme in a three-dimensional coastal ocean model (FVCOM); and (2) the sensitivity analysis of effects of marine hydrokinetic energy configurations on power extraction and volume flux in a coastal bay. Submittal of this report completes the work on Task 2.1.2, Effects of Physical Systems, Subtask 2.1.2.1, Hydrodynamics and Subtask 2.1.2.3, Screening Analysis, for fiscal year 2011 of the Environmental Effects of Marine and Hydrokinetic Energy project.

54 ENVIRONMENTAL SCIENCES↗

Housing Characteristics and Energy Burden Analysis for Highland Park, Michigan

Through the Communities LEAP (Local Energy Action Program) Pilot, the National Renewable Energy Laboratory (NREL) engaged the Highland Park Stakeholder Coalition to scope four technical assistance work areas to address their energy needs and goals. This slide deck addresses the highlighted tasks under work area "C", related to Housing Characteristics and Energy Burden Analysis. Assessed residential building energy consumption across different building envelope and electrification upgrades to see potential savings in energy consumption, emissions, energy bills, and energy burden.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Visualizing the NIOSH Pocket Guide: Open-source web application for accessing and exploring the NIOSH Pocket Guide to Chemical Hazards

The NIOSH Pocket Guide to Chemical Hazards is a trusted resource that displays key information for a collection of chemicals commonly encountered in the workplace. Entries contain chemical structures—occupational exposure limit information ranging from limits based on full-shift time-weighted averages to acute limits such as short-term exposure limits and immediately dangerous to life or health values, as well as a variety of other data such as chemical-physical properties and symptoms of exposure. The NIOSH Pocket Guide (NPG) is available as a printed, hardcopy book, a PDF version, an electronic database, and a downloadable application for mobile phones. All formats of the NIOSH Pocket Guide allow users to access the data for each chemical separately, however, the guide does not support data analytics or visualization across chemicals. This project reformatted existing data in the NPG to make it searchable and compatible with exploration and analysis using a web application. The resulting application allows users to investigate the relationships between occupational exposure limits, the range and distribution of occupational exposure limits, and the specialized sorting of chemicals by health endpoint or to summarize information of particular interest. These tasks would have previously required manual extraction of the data and analysis. The usability of this application was evaluated among industrial hygienists and researchers and while the existing application seems most relevant to researchers, the open-source code and data are amenable to modification by users to increase customization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

IEA Wind Task 26. Wind Technology, Cost and Performance Trends in Denmark, Germany, Ireland, Norway, the European Union, and the United States. 2007 - 2012

This report builds from a similar previous analysis (Schwabe et al., 2011) exploring the differences in cost of wind energy in 2008 among countries participating in IEA Wind Task 26 at that time. The levelized cost of energy (LCOE) is a widely recognized metric for understanding how technology, capital investment, operations, and financing impact the life-cycle cost of building and operating a wind plant. Schwabe et al. (2011) apply a spreadsheet-based cash flow model developed by the Energy Research Centre of the Netherlands (ECN) to estimate LCOE. This model is a detailed, discounted cash flow model used to represent the various cost structures in each of the participating countries from the perspective of a financial investor in a domestic wind energy project. This model is used for the present analysis as well, and comparisons are made for those countries who contributed to both reports, Denmark, Germany, and the United States.

17 WIND ENERGY↗

Assessing Uncertainty in Modeling Stress Corrosion Cracking

This report summarizes the collaboration between Sandia National Laboratories (SNL) and the Nuclear Regulatory Commission (NRC) to improve the state of knowledge on chloride induced stress corrosion cracking (CISCC). The foundation of this work relied on using SNL’s CISCC computer code to assess the current state of knowledge for probabilistically modeling CISCC on stainless steel canisters. This work is presented as three tasks. The first task is exploring and independently comparing crack growth rate (CGR) models typically used in CISCC modeling by the research community. The second task is implementing two of the more conservative CGR models from the first task into SNL’s full CISCC code to understand the impact of the different CGR models on a full probabilistic analysis while studying uncertainty from three key input parameters. The combined work of the first two tasks showed that properly measuring salt deposition rates is impactful to reducing uncertainty when modeling CISCC. The work in Task 2 also showed how probabilistic CGR models can be more appropriate at capturing aleatory uncertainty when modeling SCC. Lastly, appropriate and realistic input parameters relevant for CISCC modeling were documented in the last task as a product of the simulations considered in the first two tasks.

36 MATERIALS SCIENCE↗

Documentation of operational protocol for the use of MAMA software

Image analysis of Scanning Electron Microscope (SEM) micrographs is a complex process that can vary significantly between analysts. The factors causing the variation are numerous, and the purpose of Task 2b is to develop and test a set of protocols designed to minimize variation in image analysis between different analysts and laboratories, specifically using the MAMA software package, Version 2.1. The protocols were designed to be “minimally invasive”, so that expert SEM operators will not be overly constrained in the way they analyze particle samples. The protocols will be tested using a round-robin approach where results from expert SEM users at Los Alamos National Laboratory, Lawrence Livermore National Laboratory, Pacific Northwest National Laboratory, Savannah River National Laboratory, and the National Institute of Standards and Testing will be compared. The variation of the results will be used to quantify uncertainty in the particle image analysis process. The round-robin exercise will proceed with 3 levels of rigor, each with their own set of protocols, as described below in Tasks 2b.1, 2b.2, and 2b.3. The uncertainty will be developed using NIST standard reference material SRM 1984 “Thermal Spray Powder – Particle Size Distribution, Tungsten Carbide/Cobalt (Acicular)” [Reference 1]. Full details are available in the Certificate of Analysis, posted on the NIST website (http://www.nist.gov/srm/).

97 MATHEMATICS AND COMPUTING↗

Enhancing Distribution System Resilience: A First-Order Meta-RL Algorithm for Critical Load Restoration

The increasing frequency of extreme events and the integration of distributed energy resources (DERs) into modern grids have elevated the need for resilient and efficient critical load restoration strategies in distribution systems. However, the stochastic nature of renewable DERs, limited energy resource availability and the intricate nonlinearities inherent in complex grid control problem make the problem challenging. Although reinforcement learning (RL) and warm-start RL methods have shown promising results, their performance often falls short in rapidly adapting to new, unseen situations and typically requires exhaustive problem-specific tuning. To address these gaps, we propose a First-Order Meta-based RL (FOM-RL) algorithm within an online framework for adaptive and robust critical load restoration. By harnessing local DERs as the enabling technology, FOM-RL allows the RL agent to swiftly adapt to new unseen scenarios by leveraging previously acquired knowledge of different tasks. Experimental results provide evidence that proposed algorithm learns more efficiently and showcases generalization capabilities across diverse set of operational scenarios. Moreover, a rigorous theoretical analysis yields a tight sublinear regret bound, sensitive to temporal variability, with a task-averaged optimality gap bounded by O(VM+D*/(Tsquare root(M))). These results suggest that optimality improves with task similarity and an increased number of tasks M, reaffirming the efficacy and scalability of the proposed approach in addressing the complexities of critical load restoration in distribution systems.

complexity theory↗

Requirements Description of DASSH-F

This report reviews the modeling and simulation capabilities of Argonne National Laboratory’s DASSH code that is used in present reactor analysis activities. These capabilities will be used to establish the set of verification tasks necessary to verify DASSH for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The DASSH program is a thermal analysis code designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. DASSH is a follow-on development to the SE2-ANL software and SUPERENERGY-2 software that it is based upon. DASSH was designed to account for both neutron and gamma heating and is inherently connected to the GAMSOR part of the ARC suite of fast reactor analysis software. SE2-ANL is a developed piece of software from the 1980s while DASSH is a modern implementation with notable improvements in geometry handling. The most important upgrade of DASSH relative to SE2-ANL is that it can analyze multiple time points in a single run where SE2-ANL can only treat a single time point. This allows the user to understand the impact of and search the flow distribution for the entire operational period of a reactor design considering pressure drop, peak coolant and fuel temperatures, and thermal striping. DASSH has three input paths that have to be verified. The first input path builds the geometry and power distribution based upon the DIF3D model but ignores the gamma heating aspects of the problem. The second input path also builds the geometry from the DIF3D model but it takes the neutron and gamma heating distributions from GAMSOR. The third input path is to take the geometry and power distribution directly from user input (i.e. not coupled to DIF3D or GAMSOR). DASSH also has many built in correlations for material properties along with a user defined specification of the fuel, structure, and coolant properties. There are correlations for flow split, mixing, pressure drop, and heat transfer coefficients (subchannel rather than a direct methodology). In total, verification of DASSH will require an extensive testing to cover all possible user features of the software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A computationally-efficient method for flamelet calculations

A new open-source code for the simulation of the diffusion flamelet equations is proposed. Emphasis is placed on using an approximate Jacobian to reduce the computational cost of the matrix operations. Performance of the proposed solvers is tested by performing flamelet calculations with kinetic mechanisms of varying sizes. For the unity Lewis number equations, the present iterative Newton solver using an approximate Jacobian greatly outperforms direct Newton solvers using exact Jacobians. The computation cost scales linearly with the number of species, leading to a reduction in solution times by two orders of magnitude for mechanisms containing thousands of species. The applicability of the Jacobian approximations to the solution of the non-unity Lewis number flamelet equations is assessed. The approximations are generally inadequate to solve the full non-unity Lewis number equations but can be used in some applications depending on the balance of terms in the flamelet equations. As an example, the flamelet solver is applied to the study of sooting tendencies in laminar co-flow diffusion flames where modified non-unity Lewis number flamelet equations, previously shown to accurately reproduce experimentally-measured Yield Sooting Indices (YSI), are solved. Here, the accelerated flamelet solver is well suited for sensitivity analysis and uncertainty quantification with large detailed kinetic mechanisms, tasks for which the computational cost was previously prohibitive.

42 ENGINEERING↗

Probabilistic Deep Learning Approach to Automate the Interpretation of Multi-phase Diffraction Spectra

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase mixtures. At the core of this algorithm lies an ensemble convolutional neural network trained on simulated diffraction spectra, which are systematically augmented with physics-informed perturbations to account for artifacts that can arise during experimental sample preparation and synthesis. In this work, larger perturbations associated with off-stoichiometry are also captured by supplementing the training set with hypothetical solid solutions. Spectra containing mixtures of materials are analyzed with a newly developed branching algorithm that utilizes the probabilistic nature of the neural network to explore suspected mixtures and identify the set of phases that maximize confidence in the prediction. Our model is benchmarked on simulated and experimentally measured diffraction spectra, showing exceptional performance with accuracies exceeding those given by previously reported methods based on profile matching and deep learning. We envision that the algorithm presented here may be integrated in experimental workflows to facilitate the high-throughput and autonomous discovery of inorganic materials.

36 MATERIALS SCIENCE↗

Machine Learning Automated Analysis of Enormous Synchrotron X-ray Diffraction Datasets

X-ray diffraction (XRD) data analysis can be a time-consuming and laborious task. Deep neural network (DNN) based models trained with synthetic XRD patterns have been proven to be a highly efficient, accurate, and automated method for analyzing common XRD data collected from solid samples in ambient environments. However, it remains unclear whether synthetic XRD-based models can be effective in solving micro(μ)-XRD mapping data for in situ experiments involving liquid phases, which always have lower quality and significant artifacts. In this study, we collected μ-XRD mapping data from a LaCl 3 -calcite hydrothermal fluid system and trained two categories of models to analyze the experimental XRD patterns. Here, the models trained solely with synthetic XRD patterns showed low accuracy (as low as 64%) when solving experimental μ-XRD mapping data. However, the accuracy of the DNN models significantly improved (90% or above) when we trained them with a data set containing both synthetic and a small number of labeled experimental μ-XRD patterns. This study highlights the importance of labeled experimental patterns in training DNN models to solve μ-XRD mapping data from in situ experiments involving liquid phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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)↗