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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Lower and upper threshold limit for artificial neural network based chilled and condenser water temperatures set-point control in a chilled water system

In this study, an ANN (artificial neural network) based real-time optimized control algorithm for a chilled water cooling system was developed and applied in an actual building to analyze its cooling energy saving effects through in-situ application and actual measurements. For this purpose, the cooling tower’s CndWT (condenser water temperature) and the chiller’s ChWT (chilled water temperature) were set as system control variables. To evaluate algorithm performance, the electric consumption and the COP (coefficient of performance) were compared and analyzed when ChWT and CndWTs were controlled conventionally and controlled based on the ANN. During the analysis, unexpected abnormal data was observed due to insufficient training data and limited consideration of OWBT (outdoor air wet-bulb temperature) when determining the CndWT set-point. Therefore, it is necessary to further build training data from a wider range of conditions and to set the lower limit of CndWT set-point to at least +3.6 °C above OWBT when the OWBT is higher than 23 °C, so that further energy savings can be achieved.

42 ENGINEERING↗
DOE OSTI2020

Advanced light source-Upgrade accumulator-ring gas bremsstrahlung production

Lawrence Berkeley National Laboratory is designing a new electron synchrotron for scientific research using synchrotron radiation. An upgrade of the Advanced Light Source (ALS) would position the nation to retain its international competitiveness in the soft X-ray sciences. The ALS is a 1.9 GeV storage ring operating at 500 mA of beam current. It is optimized to produce intense beams of soft X-rays, which offer spectroscopic contrast, nanometer-scale resolution, and broad temporal sensitivity. Upgrading the ALS storage ring from a triple-bend-achromat to a multibend-achromat (MBA) lattice design will provide a soft X-ray source that is up to 100–1,000 times brighter than today’s ALS and will provide a significantly higher fraction of coherent light in the soft X-ray region than is currently available at the ALS. Further, the upgraded ALS will offer the highest coherent flux of any existing or planned storage-ring facility, worldwide, up to a photon energy of 3.5 keV. The addition of an accumulator ring that enables on-axis, swap-out, recovery, and exchange of bunch trains is required to achieve this coherence and brightness. Analysis of the radiation generated and shielding required by the addition of this new accelerator is presented in this paper.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Use of machine learning for a helium line intensity ratio method in Magnum-PSI

Optical emission spectroscopy (OES) of helium (He) line intensities has been used to measure the electron density, ne, and temperature, Te, in various plasma devices. In this study, a neural network with five hidden layers is introduced to model the relation between the OES data and ne/Te from laser Thomson scattering in the linear plasma device Magnum-PSI and compared to multiple regression analysis. It is shown that the neural network reduces the residual errors of prediction values (ne and Te) less than half those of the multiple regression analysis. We checked two different data splitting methods for training and validation data, i.e., with and without considering the unit of discharge. A comparison of the splitting methods suggests that the residual error will decrease to ~10% even for a new discharge data when accumulating a sufficient data set.

Kajita, Shin↗
DOE OSTI2024

Increasing the Reproducibility and Replicability of Supervised AI/ML in the Earth Systems Science by Leveraging Social Science Methods

Artificial intelligence (AI) and machine learning (ML) pose a challenge for achieving science that is both reproducible and replicable. The challenge is compounded in supervised models that depend on manually labeled training data, as they introduce additional decision-making and processes that require thorough documentation and reporting. We address these limitations by providing an approach to hand labeling training data for supervised ML that integrates quantitative content analysis (QCA)—a method from social science research. The QCA approach provides a rigorous and well-documented hand labeling procedure to improve the replicability and reproducibility of supervised ML applications in Earth systems science (ESS), as well as the ability to evaluate them. Specifically, the approach requires (a) the articulation and documentation of the exact decision-making process used for assigning hand labels in a “codebook” and (b) an empirical evaluation of the reliability” of the hand labelers. In this paper, we outline the contributions of QCA to the field, along with an overview of the general approach. We then provide a case study to further demonstrate how this framework has and can be applied when developing supervised ML models for applications in ESS. With this approach, we provide an actionable path forward for addressing ethical considerations and goals outlined by recent AGU work on ML ethics in ESS.

58 GEOSCIENCES↗
DOE OSTI2023

Scaling Automatic Vector Data Alignment to Satellite Imagery

Given the tremendous volume of accessible Earth Observation (EO) data, there is a need to develop scalable Geospatial Artificial Intelligence (GeoAI) solutions for time-sensitive applications. Scalability in this context refers to rapidly processing large-scale EO data using high performance computing resources. Accurate mapping of the built environment from remote sensing (RS) imagery has been one of the crucial components in GeoAI workflows for a wide spectrum of humanitarian applications. Derived vector data of built environment is often leveraged for disaster preparedness and response activities. However, factors such as differences in ortho-rectification, atmospheric conditions and human error, results in spatial misalignment between vector data and the timely available RS imagery. Model training for downstream tasks such as object detection, change analysis, etc., is negatively impacted due to such spatial misalignment. Although there has been progress towards automatic alignment of vector data, the lack of scalability remains an open research challenge. This paper proposes to leverage parallel computing to optimize an automatic vector data alignment workflow. It further employs CPU-level multi-core parallelism for improving the performance of the workflow for scalable built environment mapping. We report observations and discuss findings from the preliminary experiments performed on the Summit Supercomputer.

Potnis, Abhishek↗
DOE OSTI2025

Nonlinear Ensemble Filtering with Diffusion Models: Application to the Surface Quasigeostrophic Dynamics

The intersection between classical data assimilation methods and novel machine learning techniques has attracted significant interest in recent years. Here, we explore another promising solution in which diffusion models are used to formulate a robust nonlinear ensemble filter for sequential data assimilation. Unlike standard machine learning methods, the proposed ensemble score filter (EnSF) is completely training free and can efficiently generate a set of analysis ensemble members. Here, in this study, we apply the EnSF to a surface quasigeostrophic model and compare its performance against the popular local ensemble transform Kalman filter (LETKF), which makes Gaussian assumptions in the analysis step. Numerical tests demonstrate that EnSF maintains stable performance in the absence of localization and for a variety of experimental settings. We find that while LETKF maintains optimal performance in the case of linear observations of the entire state and a perfect model, EnSF shows improvements over LETKF when nonlinear observations are assimilated and the system is subject to unexpected model errors. A spectral decomposition of the analysis results in this nonlinear observation regime shows that the largest improvements over LETKF occur at large scales (small wavenumbers), where LETKF lacks sufficient ensemble spread. Overall, this initial application of EnSF to a geophysical model of intermediate complexity motivates further development of the algorithm for more realistic problems.

Artificial intelligence↗
DOE OSTI2025

Accurate and Fast Anomaly Detection in Additive Composite-Based Manufacturing using Thermal Cameras

Today, large-scale additive manufacturing with plastics and composite materials requires continuous monitoring by experienced staff to prevent, detect and correct anomalous events affecting the performance of the printed part. We address the complexity of this demanding task by designing a camera-based anomaly detection system utilizing probabilistic principal component analysis (PPCA). This is a machine learning technique is trained with thermal images collected during normal operation of the large-scale printer (Cincinnati BAAM). This technique is advantageous for practical applications as there is no need to artificially introduce anomalous conditions into model training. During deployment, we challenge this model by introducing deliberate variations of the extruder speed. We reduce extrusion speed to a lower level, between 70 and 95% of the nominal value to collected test images. Our results show that images are easily identified as anomalous for extruder speeds at or below 85% of the nominal speed, meaning that an anomalous reduction of the material deposition rate can be detected within seconds of its onset. We show that our results are robust to (a) camera-to-camera variability and (b) print-to-print variability.

Pike, John [ORNL]↗
DOE OSTI2024

CCTE Irradiation Plan - PBNC 2024

This paper outlines the irradiation plan for the CCTE-ANEEL-1A experiment in the ATR including irradiation locations, test train geometry, and a summary of the experiment design analysis. ATR irradiation is expected to begin in Spring 2024, with burnup targets of 20, 40, and 60 GWd/MTU.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Training data selection for event classification in a highly variable environment

A problem of interest for nuclear nonproliferation is monitoring activities at nuclear facilities, where proliferation events may only take place a few times and often under variable conditions. Machine learning has revolutionized data analytics by enabling the use of measurable signatures to generate predictive models of facility operations. However, traditional methods for training these models require large, reliable data sets with labeled observations, a challenge for nonproliferation. Highly variable conditions further complicate this as events from training data may have occurred in conditions quite different from the event of interest. Our hypothesis is that when events occur in a highly variable environment, careful training data selection for each test event could outperform the standard approach of using all available training data. We developed a method to optimize training data selection for the given test event and applied it to predicting the power level of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory. In this study, the reactor startup exhibits variability between occurrences due to natural variability in environmental conditions and operational procedures. Using a combination of analysis techniques, a similitude assessment was performed on data collected from HFIR to isolate clusters that were optimal for training a predictive model. Concepts such as dynamic time warping and Jaccard similarity were used in conjunction with clustering analysis. In order to validate this approach, the model was trained on every combination of unique training events and the predictive performance was compared to the performance using a subset of the training data selected by isolated clusters found through the similitude assessment.

Iyer, A↗
DOE OSTI2023

Battery state-of-health diagnostics during fast cycling using physics-informed deep-learning

Rapid, in-situ Li-ion battery state-of-health (SOH) quantification is challenging. Li-ion battery aging can vary significantly with chemistry, operating conditions, cycling demands, electrode design, and operation history. As a cell ages, optimal and safe operating conditions need to be adapted to account for battery degradation by tracking critical aging modes such as loss-of-lithium-inventory (LLI), loss-of-active-material (LAM) in either electrode, and/or impedance rise. This manuscript describes a framework for identifying battery aging modes in-operando using fast-rate voltage charge/discharge responses. The framework uses a physically based Li-ion battery model to produce synthetic high-rate responses at aged states. The aging model is calibrated against experimental data from cells with different electrode loadings and cycled under a variety of fast-charging conditions (1 h, 15 min, 10 min, and 7 min charging). The synthetically generated high-rate responses at aged states are then used to train a deep-learning model to identify real cell state-of-health from fast charge/discharge battery voltage responses. The synthetically trained deep-learning model performance is validated by comparing to standard incremental capacity analysis and half-cell measurements. Finally, the framework demonstrates the benefits of using high-rate physics-based models to generate synthetic data for training deep-learning models.

25 ENERGY STORAGE↗
DOE OSTI2021

InversionNet3D: Efficient and Scalable Learning for 3-D Full-Waveform Inversion

Seismic full-waveform inversion (FWI) techniques aim to find a high-resolution subsurface geophysical model provided with waveform data. Some recent effort in data-driven FWI has shown some encouraging results in obtaining 2-D velocity maps. However, due to high computational complexity and large memory consumption, the reconstruction of 3-D high-resolution velocity maps via deep networks is still a great challenge. Here, in this article, we present InversionNet3D (InvNet3D), an efficient and scalable encoder–decoder network for 3-D FWI. The proposed method employs group convolution in the encoder to establish an effective hierarchy for learning information from multiple sources while cutting down unnecessary parameters and operations at the same time. The introduction of invertible layers further reduces the memory consumption of intermediate features during training and, thus, enables the development of deeper networks with more layers and higher capacity as required by different application scenarios. Experiments on the 3-D Kimberlina dataset demonstrate that InvNet3D achieves state-of-the-art reconstruction performance with lower computational cost and lower memory footprint compared to the baseline.

58 GEOSCIENCES↗
DOE OSTI2023

Conduct of Engineering Project Engineer Qualification Standard

This document describes the training and qualification requirements for the Project Engineer (PE) position at the Los Alamos National Laboratory (LANL). Analysis indicates that the Project Engineer position is not required to meet the requirements of DOE Order 426.2, Personnel Selection, Training, Qualification, and Certification Requirements for DOE Nuclear Facilities for “Technical Staff” positions. However, Engineering Services Division (ESD) has decided to hold their Project Engineers to a higher professional standard by developing a qualification program for the PEs.

42 ENGINEERING↗
DOE OSTI2020

Threat Reduction Research Networks: Fostering Sustainable Collaborations Through Trainings for Genomics for Biosurveillance

Scientific research communities can be represented as heterogeneous or multidimensional networks encompassing multiple types of entities and relationships. These networks might include researchers, institutions, meetings, and publications, connected by relationships like authorship, employment, and attendance. We describe a method for efficiently and flexibly capturing, storing, and extracting information from multidimensional scientific networks using a graph database. The database structure is based on an ontology that captures allowable types of entities and relationships. This allows us to construct a variety of projections of the underlying multidimensional graph through database queries to answer specific research questions. We demonstrate this process through a study of the U.S. Biological Threat Reduction Program (BTRP), which seeks to develop Threat Reduction Networks to build and strengthen a sustainable international community of biosecurity, biosafety, and biosurveillance experts to address shared biological threat reduction challenges. Networks like these create connectional intelligence among researchers and institutions around the world, and are central to the concept of cooperative threat reduction. Our analysis focuses on a series of seven BTRP genome sequencing training workshops, showing how they created a growing network of participants and countries over time, which is also reflected in coauthorship relationships among attendees. By capturing concept and relationship hierarchies, our ontology-based approach allows us to pose general or specific questions about networks within the same framework. This approach can be applied to other research communities or multidimensional social networks to capture, analyze, and visualize different types of interactions and how they change over time.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Machine learning for domain transfer between simulated and experimental 2D X-ray diffraction patterns using generative adversarial networks

X-ray diffraction (XRD) is a well-established technique for analyzing materials at an atomic level. Dynamic compression experiments (DCE), in which materials are subject to extreme pressures, can provide fundamental understanding to pressure-induced phase transitions and compression of the crystal lattice. The analysis of XRD patterns from highly compressed samples is non-trivial given the sparsity of data, high experimental costs, and the fact that the data is often marred with X-ray background and other artifacts. While accurate computational frameworks exist, they solve the forward problem—from structures and orientations to XRD patterns. Solving the inverse problem for 2D experimental diffraction patterns is currently a complex manual process of matching and comparing experimentally observed patterns to computationally generated ones. Machine learning is a promising tool for automating the matching process but often requires data-intensive architectures. Here, in this study, we use a CycleGAN to translate the domain of limited experimental data to a domain in which there is readily available simulated data. This domain shift allows data-intensive machine learning models that have only been trained on simulated XRD patterns to be used in the analysis of experiments.

Brozak, Samantha Jean [Sandia National Laboratorie↗
DOE OSTI2020

Active learning for robust, high-complexity reactive atomistic simulations

Machine learned reactive force fields based on polynomial expansions have been shown to be highly effective for describing simulations involving reactive materials. Nevertheless, the highly flexible nature of these models can give rise to a large number of candidate parameters for complicated systems. In these cases, reliable parameterization requires a well-formed training set, which can be difficult to achieve through standard iterative fitting methods. In this paper, we present an active learning approach based on cluster analysis and inspired by Shannon information theory to enable semi-automated generation of informative training sets and robust machine learned force fields. The use of this tool is demonstrated for development of a model based on linear combinations of Chebyshev polynomials explicitly describing up to four-body interactions, for a chemically and structurally diverse system of C/O under extreme conditions. We show that this flexible training database management approach enables development of models exhibiting excellent agreement with Kohn–Sham density functional theory in terms of structure, dynamics, and speciation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Feature Interpretability

The feature interpretability code is a python module that interprets and analyzes neural networks trained on hydrodynamic simulation output in the form of numpy arrays. The code takes trained neural networks and extracts internal model states in the form of images. Additionally, tools for covariance analysis of network weights and predictions are provided. This code is built on the TensorFlow and PyTorch python libraries, and includes trained networks and example input data for demonstration purposes.

Callis, Skylar↗
DOE OSTI2026

Toward real-time optimization through model reduction and model discrepancy sensitivities

Optimization problems arise in a range of scenarios, from optimal control to model parameter estimation. In many applications, such as the development of digital twins, it is essential to solve these optimization problems within wall-clock-time limitations. However, this is often unattainable for complex systems, such as those modeled by nonlinear partial differential equations. One strategy for mitigating this issue is to construct a reduced-order model (ROM) that enables more rapid optimization. In particular, the use of nonintrusive ROMs—those that do not require access to the full-order model at evaluation time—is popular because they facilitate the computation of optimization solutions within the wall-clock time requirements. However, the optimization solution will be unreliable if the iterates move outside the ROM training data. This article proposes the use of hyper-differential sensitivity analysis with respect to model discrepancy (HDSA-MD) as a computationally efficient tool to augment ROM-constrained optimization and improve its reliability. The proposed approach consists of two phases: (i) an offline phase where several full-order model evaluations are computed to train the ROM, and (ii) an online phase where a ROM-constrained optimization problem is solved, a limited number of full-order model evaluations are computed, and HDSA-MD is used to enhance the optimization solution. Numerical results are demonstrated for two examples, atmospheric contaminant control and wildfire ignition location estimation, in which a ROM is trained offline using inaccurate atmospheric data. In conclusion, the HDSA-MD update yields a significant improvement in the ROM-constrained optimization solution using only one full-order model evaluation online with corrected atmospheric data.

PDE-constrained optimization↗