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DOE OSTI2022

A New Shape Optimization Approach for Lightweighting Electric Machines Inspired by Additive Manufacturing

Minimizing the mass in electric machines while maintaining superior performance is a new requirement for the advancement of drivetrains used in wind energy and electric mobility. Topology optimization (TO) for lightweighting electric machines using traditional approaches typically explores a restricted design space allowed by standard parametrizable geometry and manufacturing, while advanced methods, such as cell-based density approaches, suffer from a lack of robust manufacturability constraints during the optimization process. To overcome these drawbacks, we explore a grid-independent, boundary optimization where the outer shape of the magnet is parameterized using Bezier curves. We conduct a design of experiments (DOE) to study the effect of different magnet shapes on machine performance by varying the control points on the Bezier curves. A machine-learning-based surrogate model is constructed using the data from the DOE to quantify the relationship between the control points, air-gap torque, and mass. The control points are then optimized to maximize the torque density. The approach is used for minimizing electrical steel mass in the International Energy Agency (IEA) 15-MW radial flux direct-drive wind turbine generator. The new approach to shape optimization resulted in smooth and concise shapes that can be easily additively manufactured with up to a 20-ton reduction in electrical steel mass.

additive manufacturing↗

NASA NTRSDate not supplied

Human Interfaces and Management of Information (HIMI) Challenges for “In-time” Aviation Safety Management Systems (IASMS)

The envisioned transformation of the National Airspace System to integrate an In-time Aviation Safety Management System(IASMS)to assure safety in Advanced Air Mobility(AAM)brings unprecedented challenges to the design of human interfaces and management of safety information. Safety in design and operational safety assurance are critical factors for how humans will interact with increasingly autonomous systems. The IASMS Concept of Operations builds from traditional commercial operator safety management and scales in complexity to AAM. The transformative changes in future aviation systems pose potential new critical safety risks with novel types of aircraft and other vehicles having different performance capabilities, flying in increasingly complex airspace, and using adaptive contingencies to manage normal and non-normal operations. These changes compel development of new and emerging capabilities that enable innovative ways for humans to interact with data and manage information. In-creasing complexity of AAM corresponds with use of predictive modeling, data analytics, machine learning, and artificial intelligence to effectively address known hazards and emergent risks. The roles of humans will dynamically evolve in increments with this technological and operational evolution. The interfaces for how humans will interact with increasingly complex and assured systems designed to operate autonomously and how information will need to be presented are important challenges to be resolved.

Lawrence J Prinzel↗

DOE OSTI2022

A New Shape Optimization Approach for Lightweighting Electric Machines Inspired by Additive Manufacturing: Preprint

Minimizing the mass in electric machines while maintaining superior performance is a new requirement for the advancement of drivetrains used in wind energy and electric mobility. Topology optimization (TO) for lightweighting electric machines using traditional approaches typically explores a restricted design space allowed by standard parametrizable geometry and manufacturing, while advanced methods, such as cell-based density approaches, suffer from a lack of robust manufacturability constraints during the optimization process. To overcome these drawbacks, we explore a grid-independent, boundary TO where the outer shape of the magnet is parameterized using Bezier curves. We conduct a design of experiments (DOE) to study the effect of different magnet shapes on machine performance by varying the control points on the Bezier curves. A machine-learning-based surrogate model is constructed using the data from the DOE to quantify the relationship between the control points, air-gap torque, and mass. The control points are then optimized to maximize the torque density. The approach is used for minimizing electrical steel mass in the International Energy Agency (IEA) 15-MW radial flux direct-drive wind turbine generator. The free-form boundary TO resulted in smooth and concise shapes that can be easily additively manufactured with up to a 20-ton reduction in electrical steel mass.

additive manufacturing↗

DOE OSTI2023

A multiscale recurrent neural network model for predicting energy production from geothermal reservoirs

Optimization of energy production from geothermal reservoirs requires reliable prediction of energy production performance under alternative operation and development scenarios. Traditionally, reservoir simulation models are used for the evaluation and screening of alternative production and development plans. However, simulation models require extensive data collection and modeling efforts and are time-consuming to build, run, and update. Data-driven predictive models, on the other hand, can serve as efficient prediction tools that can be used for decision support and management of daily operations and surveillance activities. Data-driven models become particularly attractive when a reservoir simulation model for a field does not exist and/or is difficult to build. Machine learning (ML)-based data-driven models that have recently become popular in several fields exploit statistical patterns and relations in training data to generate predictions. As such, they tend to perform better in interpolation problems (that is, prediction within the training data range) than when they are used to extrapolate beyond the training data. Production data from geothermal reservoirs tend to exhibit short-term variabilities as well as long-term trends, such as monotonically declining production temperatures. Capturing both short-term features and long-term trends with ML-based models is not trivial. We evaluate the use of recurrent neural networks (RNN) for the prediction of energy production from geothermal reservoirs. RNN is a class of ML architectures that are used to represent and predict sequential/dynamic data. Thus, it can be challenging to apply RNN to problems where long-term trends must be captured and extrapolation beyond the training data range is needed. We introduce the multiscale RNN architecture to extend the application of RNN to detect and predict both short-term variabilities and long-term trends in geothermal data. The developed architecture consists of a long-term component to only capture low-frequency data patterns, and a short-term component to detect features with higher frequency and more nonlinearity. The final prediction is obtained by combining the long-term and short-term predictions. Both synthetic and field data are used to evaluate the presented multiscale RNN model. The prediction performance of the multiscale RNN is compared against those obtained from the regular RNN and the autoregressive (AR) model. The results suggest that the multiscale architecture improves the long-term prediction performance of the regular RNN and enhances its robustness against noise.

15 GEOTHERMAL ENERGY↗

DOE OSTI2026

Conduction-Cooled Operation of an SRF Multi-Cell Cavity

The development of compact, SRF-based accelerators for applications beyond research is experiencing notable advancements due to the use of cryocoolers for conduction-cooling instead of traditional liquid cryogens. Following the successful demonstration of a single-cell cavity operated through conduction cooling with three two-stage cryocoolers, Jefferson Lab (JLab) has made strides in the operation of a multi-cell resonator. This milestone paves the way for high-energy applications of compact, conduction-cooled SRF machines. The demonstration, carried out in collaboration with General Atomics, will take place in a dedicated horizontal test cryostat (HTC) at their San Diego facility. This presentation will highlight the technological developments, the latest results, and valuable lessons learned.

Vennekate, J. [Thomas Jefferson National Accelerat↗

DOE OSTI2022

LDRD 226360 Final Project Report: Simulated X-ray Diffraction and Machine Learning for Optimizing Dynamic Experiment Analysis

This report is the final documentation for the one-year LDRD project 226360: Simulated X-ray Diffraction and Machine Learning for Optimizing Dynamic Experiment Analysis. As Sandia has successfully developed in-house X-ray diffraction tools for study of atomic structure in experiments, it has become increasingly important to develop computational analysis methods to support these experiments. When dynamically compressed lattices and orientations are not known a priori, the identification requires a cumbersome and sometimes intractable search of possible final states. These final states can include phase transition, deformation and mixed/evolving states. Our work consists of three parts: (1) development of an XRD simulation tool and use of traditional data science methods to match XRD patterns to experiments; (2) development of ML-based models capable of decomposing and identifying the lattice and orientation components of multicomponent experimental diffraction patterns; and (3) conducting experiments which showcase these new analysis tools in the study of phase transition mechanisms. Our target material has been cadmium sulfide, which exhibits complex orientation-dependent phase transformation mechanisms. In our current one-year LDRD, we have begun the analysis of high-quality c-axis CdS diffraction data from DCS and Thor experiments, which had until recently eluded orientation identification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Conduction-Cooled Operation of an SRF Multi-Cell Cavity

Vennekate, J. [Thomas Jefferson National Accelerat↗

DOE OSTI2022

Introduction to Special Section: Machine Learning for Image-based Geologic Interpretation

Image-based geological interpretation has been a labor-intensive and time-consuming process because it requires well-trained geoscientists to identify geological structures, features, and textures from various types of images. These images include scanning electron microscopic images, optical microscopic images, optical photos, resistivity images, seismic volumes, remote-sensing images, etc. With fast-evolving machine learning (ML) technology and computing power in recent decades, computers can achieve nearhuman-level to super-human-level performance with scalable high efficiency in the computer vision field. These technological revolutions facilitated image-based geological interpretation in petroleum exploration and production. For example, a fault picking method applied to 3-D seismic volume data using deep learning can achieve superior performance in comparison to conventional auto-picking methods. In addition, under the new normal of low oil prices, the petroleum industry seeks cost-effective strategies such as automating traditionally labor-intensive processes. Nevertheless, the potential of applying ML to geological image interpretation is still facing a few key challenges including data scarcity, data distribution, poor data and/or label quality, data leakage, learning algorithms, model architecture, training methodologies, testing and evaluation metrics, hyper-parameters optimization, model drift, production deployment, and the like.

58 GEOSCIENCES↗

NASA NTRSDate not supplied

From the Knowledge-based Digital Platform (KbDP) Concept for Advanced Air Mobility Research to a Preliminary Prototype

Advanced Air Mobility (AAM) encompasses a range of innovative operational and technological changes to aviation (electric aircraft, increasingly automated aircraft, increasingly automated airspace operations, etc.) that are transforming aviation’s role in everyday movement of people and goods. There are multiple associated concepts and use cases for AAM, all interrelated, including small Unmanned Aircraft System (UAS) Traffic Management (UTM), Upper-Class E Traffic Management (ETM), Extensible Traffic Management (xTM), Regional Air Mobility (RAM), and Urban Air Mobility (UAM). These AAM operations must integrate with traditional Air Traffic Management (ATM) operations, as well as non-aviation modes of transportation and logistics. National Aeronautics and Space Administration (NASA) is spearheading an innovative digital engineering approach to integrate, communicate, and facilitate the research of multi-modal transportation systems. The Knowledge-based Digital Platform (KbDP) is a concept being developed that ties the workflows of Project Managers (PM), Principal Investigators (PI), and System Engineers together across organizational boundaries. It does so through the management of an information database defined by mathematical, data science, and system engineering principles. Machine Learning (ML) algorithms play a key role in this concept by extracting meaningful knowledge from the information database, which the human user leverages to greatly improve the efficiency and effectiveness of their research. Expected benefits of this concept include improved technology transfers from research to production, improved research portfolio investments, and research outcomes that are more integrated with all aspects of the multi-modal transportation problem. The preliminary KbDP prototype has been realized using UAM as a pathfinder use case and developed by a team of system engineer, software developer, data scientist, and interns.

Systems Engineering↗

DOE OSTI2023

Comparison of multifidelity machine learning models for potential energy surfaces

Multifidelity modeling is a technique for fusing the information from two or more datasets into one model. It is particularly advantageous when one dataset contains few accurate results and the other contains many less accurate results. Within the context of modeling potential energy surfaces, the low-fidelity dataset can be made up of a large number of inexpensive energy computations that provide adequate coverage of the N-dimensional space spanned by the molecular internal coordinates. The high-fidelity dataset can provide fewer but more accurate electronic energies for the molecule in question. Here, we compare the performance of several neural network-based approaches to multifidelity modeling. We show that the four methods (dual, Δ-learning, weight transfer, and Meng–Karniadakis neural networks) outperform a traditional implementation of a neural network, given the same amount of training data. We also show that the Δ-learning approach is the most practical and tends to provide the most accurate model.

Chemistry↗

DOE OSTI2024

A Medium‐Sized Paleo‐Tsunami Reconstruction by a Deep Neural Network Processing Sedimentary Deposits

Abstract Reconstructing the magnitude and recurrence time of tsunamis, one of the most destructive and unpredictable natural hazards impacting coastal communities, is essential. While major tsunamis are the most studied due to their disastrous impact, small/medium tsunamis (SMTs) are much more frequent and can still significantly impact the coast. Therefore, SMTs potentially provide an extensive archive of information preserved in the geological record. Analyzing the deposits of small/medium paleo‐tsunamis (SMPTs) opens a window into when their direct observation was unavailable. However, deposits of SMPTs are often degraded, traditional sediment deposition inversion models might fail. Recent research has shown that Deep Neural Networks (DNN) can effectively reconstruct the flow conditions of major tsunamis from their deposits. We evaluate the effectiveness of this approach in reconstructing the characteristics of a recent medium size tsunami (2006 Java) and of a medium paleo‐tsunami (1929 Grand Banks). We successfully reconstruct the flow characteristics of the 2006 Java event and show that an inversion of comparable quality is possible for the 1929 Grand Banks tsunami, despite greater uncertainties due to the deposit degradation. Our research shows that Machine Learning has the potential to unseal the meaning of data of thousands SMPTs.

Batubo, P.↗

DOE OSTI2021

Seismic Spatial Gradients and Machine Learning-Based Classifiers for Explosion Monitoring (LDRD 218327)

This final report summarizes the work completed under the Laboratory Directed Research and Development (LDRD) project “Seismic Spatial Gradients as a Machine Learning-Based Classifier for Explosion Monitoring.” The overarching goal of the project was to explore the efficacy of using machine learning-based classification algorithms where the input data are the spatial gradient of the seismic wavefield collected at a single point on the Earth’s surface. The methods that I describe here are in direct contrast to conventional methods of seismic discrimination which typically rely on a spatially extended network of instruments and physics-based wavefield attributes such as, for example, the ratio between $\textit{P}$ and $\textit{S}$ waves. Rather, we use the spatial gradient of the seismic wavefield observed at a single point on the Earth’s surface and data processing approaches inspired by the machine learning community. We tested two algorithms, a neural network and a modified version of principal component analysis termed Spectrally Filtered Principal Component Analysis (SFPCA). To test these algorithms, we first conducted a series of numerical tests using synthetic data and then conducted a small-scale controlled field experiment. The tests using synthetic data showed that both algorithms had high success rates on gradiometric data, even when simulated noise was added to the signal. Furthermore, we found that using seismic spatial gradients increased the performance of our discrimination algorithms when compared to using just the traditional translational motion seismic data. The tests with field data also showed a high degree of discriminative success.

58 GEOSCIENCES↗

DOE OSTI2025

LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic Trajectories

Understanding the mechanisms underlying crystal nucleation and growth is crucial for many technological applications. Due to the short length and time scales involved, crystal nucleation is often studied using molecular simulations. Most existing approaches to extract the nucleation mechanism from simulations focus on the analysis of static snapshots of the configurations, potentially overlooking subtle local fluctuations and the history of the particles involved in the formation of solid nuclei. Here, in this work, we propose a novel methodology called LeaPP that categorizes nucleation trajectories based on the temporal information of their constituent particles. We leverage the time evolution of the local environment of the crystallizing particles to encapsulate the relationship between the structure and dynamics and distinguish between different evolving particle paths. Identification of the distinct particle paths further enables characterizing the nucleation trajectories into different pathways. Collectively, LeaPP provides a more nuanced understanding of nucleation through an unsupervised approach with lesser dependence on traditional order parameters. Furthermore, the pathways identified by LeaPP are predictive of the resulting polymorph. We demonstrate LeaPP on three different systems─Lennard-Jones-like particles, Ni 3 Al, and water on surfaces. The general methodology underlying LeaPP─considering the time evolution of the building blocks─applies to a wide range of self-assembly problems.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Machine Learning Calibration of Groundwater Table Depth in ELM: Impact on Land Surface Hydrology and Land‐Atmosphere Fluxes

Accurate representation of groundwater table depth (GWTD) is crucial for simulating hydrological cycling in Earth system models (ESM). Nevertheless, there is a notable gap in the literature regarding the validation of GWTD simulations in ESMs and their subsequent impact on downstream hydrological components. This study explores the calibration of parameterization of global GWTD using machine learning within the Energy Exascale Earth System Model (E3SM) Land Model (ELM). Despite achieving significant gains in simulating GWTD through calibration, offline ELM simulations unexpectedly show that these improvements do not translate to substantial enhancements in model performance for other key hydrological variables, including soil moisture (SM), runoff, groundwater contribution to runoff or base flow index (BFI), and evapotranspiration and its partitioning. The performance in SM and runoff was even degraded in some regions, while BFI was mostly overestimated. Although there is significant improvement in GWTD within the critical range of 1–5 m, where groundwater traditionally influences land surface energy fluxes, these improvements occurred mostly in humid areas where the impact of GWTD on surface processes is minimal. Although the impacts of model calibration are generally small in offline ELM simulations, coupled land-atmosphere simulations exhibit much stronger responses to GWTD calibration, highlighting the role of land-atmosphere feedbacks in Earth system modeling. These findings underscore the need for integrated calibration strategies that simultaneously optimize multiple hydrological variables. However, if a single-variable approach is necessary, it is crucial to establish clear priorities for calibration, identifying the most critical variables that have the greatest impact on overall model performance.

Fang, Yilin [Pacific Northwest National Laboratory↗

DOE OSTI2023

Real-Time Regional PV Spinning Reserve Estimator with AGC Look-Ahead Windows

Curtailed PV generation is a zero-marginal cost spinning reserve that can be used for a number of active power control services. However, unlike the traditional spinning reserve providers, i.e., fossil-fueled generators, who have well-defined operating characteristics, e.g., available headroom or potential high limit (PHL), PV plants have by nature variable and uncertain operating characteristics. To ensure the effective coordination between PV plants and the system operator during an active power control event, accurate forecasts of the PV PHL are essential. A novel reference-control grouping based scaling method has been proposed by NREL to estimate the PV PHL in real-time. This work further enhances the methodology by: 1) improving the model accuracy through machine learning; 2) considering look-ahead windows introduced by the computation and communication latencies; 3) applying the method to regional spinning reserve estimation. A significant performance improvement, over 99% of estimation error reduction, has been observed based on real-world data collected by CAISO and PV plant operators.

potential high limit↗

DOE OSTI2024

Enhancing the hunt for new phenomena in dijet final states using anomaly detection filters at the high-luminosity large Hadron Collider

In the realm of dijet searches in high-energy physics, a significant challenge has emerged: with experiments producing more and more data, the traditional methods of using analytic functions to describe dijet mass spectra start to fail. Here, to address this, we suggest the application of an anomaly detection approach to eliminate less interesting background events based on event final states. This method not only bypasses the limitations of conventional background models but also significantly enhances our ability to detect potential signals of new physics. Through simulations that mimic the conditions of the upcoming high-luminosity large Hadron collider, we demonstrate the strength and efficiency of this approach in dealing with large data volumes. The integration of unsupervised machine learning into our experimental framework paves the way for a promising avenue to unveil hidden physics discoveries within the overwhelming influx of data.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Biomaniac

Los Alamos National Laboratory researchers are developing a machine-learning based algorithm to revolutionize how biopolymers are designed and optimized. BioManIAC is a software platform that fills the gaps in data to gain insight into new potential polymer properties without making and testing them. Polymer engineers are able to use BioManIAC software to extrapolate and tune new biopolymer properties that allow the user to create small smart libraries, rather than largescale trial and error testing. This targeted design is expected to improve both time to market and R&D expenditure, as well as the resulting mechanical properties of biopolymers, enabling for more direct competition with traditional petroleum-based polymers. Los Alamos is seeking partners to further validate our software platform.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Real-Time Regional PV Spinning Reserve Estimator with AGC Look-Ahead Windows: Preprint

Curtailed PV generation is a zero-marginal cost spinning reserve that can be used for a number of active power control services. However, unlike the traditional spinning reserve providers, i.e., fossil-fueled generators, who have well-defined operating characteristics, e.g., available headroom or potential high limit (PHL), PV plants have by nature variable and uncertain operating characteristics. To ensure the effective coordination between PV plants and the system operator during an active power control event, accurate forecasts of the PV PHL are essential. A novel reference-control grouping based scaling method has been proposed by NREL to estimate the PV PHL in real-time. This work further enhances the methodology by: 1) improving the model accuracy through machine learning; 2) considering look-ahead windows introduced by the computation and communication latencies; 3) applying the method to regional spinning reserve estimation. A significant performance improvement, over 1.6% of estimation error reduction, has been observed based on real-world data collected by CAISO and PV plant operators.

potential high limit↗