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At least 469 records · Page 26

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Data-Efficient Methods for Determining Flory–Huggins χ Parameters in Multicomponent Polymer Formulations

Polymer formulations are essential in diverse applications including personal care products, coatings, paints, adhesives, and plastic materials. Designing these formulations requires navigating large, complex design spaces, where phase and self-assembly behavior critically impact performance. The Flory–Huggins χ parameter, which quantifies segmental miscibility, is widely used to parametrize the excess free energy of mixing in formulation models. In this work, we introduce two data-efficient, top-down methods for estimating χ parameters using the Random Phase Approximation (RPA): (i) Boundary Nonlinear Regression (Boundary-NLR), which fits theoretical spinodal boundaries to experimental phase boundaries, and (ii) Surrogate Model Inverse Parameter Estimation (SMIPE), which uses a Gaussian Process Classifier to fit sparse phase maps via a surrogate model. Both methods allow rapid parametrization of polymer field-theoretic models without the need for additional experiments. We evaluate these approaches on data sets involving polymer–solvent–nonsolvent ternary mixtures and block copolymer–solvent systems, demonstrating their robustness to experimental noise and their relevance for real-world formulation design.

copolymers↗

DOE OSTI2025

Large-scale tearing-mode hazard function analysis with standard matched equilibrium reconstructions

The association between features from standard tokamak equilibrium reconstructions and the onset of n = 1 tearing modes (TMs) is analyzed at scale. The TM onset rate is directly modeled with a ‘hazard’ function which gives the expected number of onsets (per unit time spent) in a given equilibrium parameter region. In particular the different statistical modeling performance achieved for magnetics-only reconstructions and motional Stark effect (MSE) enhanced reconstructions is studied. It is observed that a better hazard model for the TM onset rate can be built with the MSE-enhanced equilibria compared to the matched magnetics-only situation. This advantage disappears if internal profile details are withheld from the matched analysis. Plausibility of the hazard function is further demonstrated with visualizations of global trends in the operational space, and time-traces from specific tokamak discharges. As a result, TMs typically degrade tokamak plasma performance and may lead to plasma termination, motivating this statistical study.

equilibrium↗

DOE OSTI2024

Combining resonant and tail-based anomaly detection

In many well-motivated models of the electroweak scale, cascade decays of new particles can result in highly boosted hadronic resonances (e.g., Z / W / h ). This can make these models rich and promising targets for recently developed resonant anomaly detection methods powered by modern machine learning. We demonstrate this using the state-of-the-art classifying anomalies through outer density estimation () method applied to supersymmetry scenarios with gluino pair production. We show that , despite being model agnostic, is nevertheless competitive with dedicated cut-based searches, while simultaneously covering a much wider region of parameter space. The gluino events also populate the tails of the missing energy and H T distributions, making this a novel combination of resonant and tail-based anomaly detection. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2024

Mixture-of-Experts for Multi-Domain Defect Identification in Non-Destructive Inspection

Composite materials are widely used in aircraft structures because of their superior mechanical properties. However, their complex failure modes require sophisticated inspection methods to ensure structural integrity. Ultrasonic testing (UT) is a common non-destructive inspection (NDI) technique for aircraft composites that can detect internal and external defects with high resolution and accuracy. Despite their effectiveness, traditional UT methods rely on the manual interpretation of ultrasonic signals, which is time-consuming, labor-intensive, and subjective. Furthermore, processing such large-scale data, particularly across materials of varying thicknesses, significantly increases the computational demands of deep learning model optimization. To overcome these challenges, we propose an efficient sparse mixture-of-experts (MoE) model with a multi-level loss function and introduce four novel training objectives to improve computational efficiency and accuracy in identifying surface defects in composite aircraft materials. Here, we evaluated our approach on material with multiple thicknesses or domains comprising various defects. Our experimental results demonstrate higher accuracy and F1-Score, with only 10% training epochs compared to baseline MoE.

composite materials↗

DOE OSTI2025

Model Residuals as Shields: A Two-Level Formulation to Defend Smart Grids From Poisoning Attacks

The advancement of smart grids presents both vast opportunities and heightened cybersecurity risks. Data-driven defense mechanisms, though designed as a shield against these threats, can fall prey to poisoning attacks. We delve into regression settings, underscoring the imperative to fortify defenses against a spectrum of poison ratios, notably those above 0.5—an issue scarcely addressed in prior studies. Recognizing the susceptibilities of smart grids and their manipulable sensors, we exploit the very intent of poisoning attacks, compromising model accuracy, as our defense mechanism. Our proposed two-level optimization framework discerns between poisoned and authentic data based on model residuals, outperforming or matching existing methods in 72% to 77% of precision and 75% to 80% of recalls across various poisoning attacks, poison ratios, and datasets. Once the authentic data are identified, the trained model is adaptable for a variety of applications. Comprehensive evaluations on different smart grid datasets, pitted against myriad poisoning schemes, validate our methodology’s edge over existing methods. Here, we also shed light on the implications of model misspecification originating from temporal auto-correlation, a common feature in Internet of Things and smart grid data.

Adversarial machine learning (ML)↗

NASA NTRS1988

Preliminary fatigue tests on short-crack specimens

The objective of the preliminary fatigue tests was to determine the stress levels to be used by the participants in the Cooperative Test Program. As previously mentioned, the United States Air Force Wright-Patterson Aeronautical Laboratory machined about 700 single-edge-notched tension (SENT) specimens from material supplied by the NASA Langley Research Center. In addition, NASA Langley machined about 50 SENT specimens from the same material. Comparison of fatigue tests conducted on the two sets of specimens indicated a large difference in fatigue behavior under constant-amplitude loading. A recovery program was initiated to resolve this difference before the specimens were distributed to participants. The following sections describe the recovery program and the preliminary fatigue tests and analyses conducted to determine stress levels for constant-amplitude, FALSTAFF, and Gaussian loading.

Newman, J. C., Jr.↗

NASA NTRS1989

How do robots take two parts apart

This research is a natural progression of efforts which begun with the introduction of a new research paradigm in machine perception, called Active Perception. There it was stated that Active Perception is a problem of intelligent control strategies applied to data acquisition processes which will depend on the current state of the data interpretation, including recognition. The disassembly/assembly problem is treated as an Active Perception problem, and a method for autonomous disassembly based on this framework is presented.

Bajcsy, Ruzena K.↗

NASA NTRS1993

Intelligent systems and advanced user interfaces for design, operation, and maintenance of command management systems

Historically, command management systems (CMS) have been large and expensive spacecraft-specific software systems that were costly to build, operate, and maintain. Current and emerging hardware, software, and user interface technologies may offer an opportunity to facilitate the initial formulation and design of a spacecraft-specific CMS as well as to develop a more generic CMS system. New technologies, in addition to a core CMS common to a range of spacecraft, may facilitate the training and enhance the efficiency of CMS operations. Current mission operations center (MOC) hardware and software include Unix workstations, the C/C++ programming languages, and an X window interface. This configuration provides the power and flexibility to support sophisticated and intelligent user interfaces that exploit state-of-the-art technologies in human-machine interaction, artificial intelligence, and software engineering. One of the goals of this research is to explore the extent to which technologies developed in the research laboratory can be productively applied in a complex system such as spacecraft command management. Initial examination of some of these issues in CMS design and operation suggests that application of technologies such as intelligent planning, case-based reasoning, human-machine systems design and analysis tools (e.g., operator and designer models), and human-computer interaction tools (e.g., graphics, visualization, and animation) may provide significant savings in the design, operation, and maintenance of the CMS for a specific spacecraft as well as continuity for CMS design and development across spacecraft. The first six months of this research saw a broad investigation by Georgia Tech researchers into the function, design, and operation of current and planned command management systems at Goddard Space Flight Center. As the first step, the researchers attempted to understand the current and anticipated horizons of command management systems at Goddard. Preliminary results are given on CMS commonalities and causes of low re-use, and methods are proposed to facilitate increased re-use.

Potter, William J.↗

NASA NTRS1998

Intelligent Systems and Advanced User Interfaces for Design, Operation, and Maintenance of Command Management Systems

Historically Command Management Systems (CMS) have been large, expensive, spacecraft-specific software systems that were costly to build, operate, and maintain. Current and emerging hardware, software, and user interface technologies may offer an opportunity to facilitate the initial formulation and design of a spacecraft-specific CMS as well as a to develop a more generic or a set of core components for CMS systems. Current MOC (mission operations center) hardware and software include Unix workstations, the C/C++ and Java programming languages, and X and Java window interfaces representations. This configuration provides the power and flexibility to support sophisticated systems and intelligent user interfaces that exploit state-of-the-art technologies in human-machine systems engineering, decision making, artificial intelligence, and software engineering. One of the goals of this research is to explore the extent to which technologies developed in the research laboratory can be productively applied in a complex system such as spacecraft command management. Initial examination of some of the issues in CMS design and operation suggests that application of technologies such as intelligent planning, case-based reasoning, design and analysis tools from a human-machine systems engineering point of view (e.g., operator and designer models) and human-computer interaction tools, (e.g., graphics, visualization, and animation), may provide significant savings in the design, operation, and maintenance of a spacecraft-specific CMS as well as continuity for CMS design and development across spacecraft with varying needs. The savings in this case is in software reuse at all stages of the software engineering process.

Mitchell, Christine M.↗

NASA NTRS2004

The Effect of Hole Quality on the Fatigue Life of 2024-T3 Aluminum Alloy Sheet

This paper presents the results of a study whose main objective was to determine which type of fabrication process would least affect the fatigue life of an open-hole structural detail. Since the open-hole detail is often the fundamental building block for determining the stress concentration of built-up structural parts, it is important to understand any factor that can affect the fatigue life of an open hole. A test program of constant-amplitude fatigue tests was conducted on five different sets of test specimens each made using a different hole fabrication process. Three of the sets used different mechanical drilling procedures while a fourth and fifth set were mechanically drilled and then chemically polished. Two sets of specimens were also tested under spectrum loading to aid in understanding the effects of residual compressive stresses on fatigue life. Three conclusions were made from this study. One, the residual compressive stresses caused by the hole-drilling process increased the fatigue life by two to three times over specimens that were chemically polished after the holes were drilled. Second, the chemical polishing process does not appear to adversely affect the fatigue life. Third, the chemical polishing process will produce a stress-state adjacent to the hole that has insignificant machining residual stresses.

Everett, Richard A., Jr.↗

DOE OSTI2025

Machine learning enabled discovery of superhard and ultrahard carbon polymorphs

The demand for multifunctional materials has motivated the move from near-equilibrium materials to metastable i.e. out-of-equilibrium phases that can meet several desired target properties. The search for such metastable phases with exotic properties is non-trivial and often serendipitous. Inverse design approaches based on evolutionary search have been powerful tools, but such traditional searches have focused on identifying primarily stable and metastable materials with the lowest enthalpy. The inverse design of materials, with a focus on a desired property such as, for example, hardness is a challenging task because of the expensive computational cost involved in sampling multiple structures. The recent advances in machine learning have brought new powerful AI techniques to the forefront which can potentially revolutionize the inverse design and discovery of materials, especially metastable phases capable of meeting multifunctionality. Here, in this work, we develop and apply an automated reinforcement learning workflow for inverse design that integrates first principles physics and atomistic simulations with machine learning (ML), and high-performance computing to allow rapid exploration of the superhard and ultrahard metastable phases of Carbon. We demonstrate an automatic machine learning based inverse design workflow to map new undiscovered metastable states ranging from near equilibrium to those far-from-equilibrium that satisfy multiple property objectives, specifically bulk moduli, shear moduli and hardness. We create a comprehensive library of carbon stable and metastable phases with varying hardness and subsequently shortlist 10 top performing candidate carbon structures, including two newly reported phases, based on their hardness and characterize their temperature dependent mechanical properties. A neural network model is built using featurization of allotropes of carbon to predict the quasi-harmonic Gibbs free energies. The Gibbs free energies of the top performing phases are analyzed to get an estimate of the experimental synthesizability of these superhard and ultrahard carbon phases. In general, we show using machine learning based inverse design approaches how hitherto inaccessible metastable states can be identified and potentially synthesized to meet the demand for multifunctional materials.

Balasubramanian, Karthik [Univ. of Illinois, Chica↗

DOE OSTI2024

Geographical Insights into Suicide Mortality Through Spatial Machine Learning

Suicide mortality is a leading cause of death in the United States, with an upward trend that emphasizes its significance as a public health issue. Previous research has employed global models like ordinary least squares (OLS) regression and local models such as geographically weighted regression (GWR). While local models are useful for analyzing spatial variations in suicide mortality, they share limitations with traditional global models, particularly about their inability to handle multi-collinearity and non-linear relationships. Machine learning approaches, like random forests (RF), can address some of these limitations but often fail to account for spatial variability. This gap highlights the need for spatial ML models specifically designed to tackle suicide mortality. This research seeks to fill this void by using a geographically weighted random forest model (GWRF) to examine the associations between county-level suicide mortality in the U.S. from 2010 to 2020 and various social and environmental determinants of health. A key aspect of our methodology is disciplined feature selection, which reduces the pool of explanatory variables by about 90%. This refinement enhances the explanatory power of both global (R2 improved from 0.59 to 0.67) and local (R2 improved from 0.64 to 0.67) RF models while reducing their run times. An analysis of the importance scores for these selected features reveals that the drivers of suicide mortality vary by context. Thus, to effectively address regional disparities and inform targeted public health interventions, a holistic approach that incorporates multiple county-level characteristics is essential.

Lebakula, Viswadeep [ORNL] (ORCID:0000000152935914↗

NASA NTRSDate not supplied

Implementation of Machine Learning Methods for Crater-Based Navigation

Terrain Relative Navigation methods require surface feature detectors to gain information from images used to improve on-board state estimates. This paper presents the development of a crater detection method based on Machine Learning that can extract data from optical images with different crater shapes and sizes, under varying lighting conditions. This work includes an automated capability for generating labeled training data and iterative testing of the neural network-based crater detector. Preliminary results are included to quantify the detector’s accuracy compared to a known crater catalog, given a set of real lunar images from the Lunar Reconnaissance Orbiter.

Sofia G Catalan↗

DOE OSTI2025

Scalable 3D reconstruction for X-ray single particle imaging with online machine learning

X-ray free-electron lasers offer unique capabilities for measuring the structure and dynamics of biomolecules, helping us understand the basic building blocks of life. Notably, high-repetition-rate free-electron lasers enable single particle imaging, where individual, weakly scattering biomolecules are imaged under near-physiological conditions with the opportunity to access fleeting states that cannot be captured in cryogenic or crystallized conditions. Existing X-ray single particle reconstruction algorithms, which estimate the particle orientation for each image independently, are slow and memory-intensive when handling the massive datasets generated by emerging free-electron lasers. Here, we introduce X-RAI (X-Ray single particle imaging with Amortized Inference), an online reconstruction framework that estimates the structure of 3D macromolecules from large X-ray single particle datasets. X-RAI consists of a convolutional encoder, which amortizes pose estimation over large datasets, as well as a physics-based decoder, which employs an implicit neural representation to enable high-quality 3D reconstruction in an end-to-end, self-supervised manner. We demonstrate that X-RAI achieves state-of-the-art performance for small-scale datasets in simulation and challenging experimental settings and demonstrate its unprecedented ability to process large datasets containing millions of diffraction images in an online fashion. These abilities signify a paradigm shift in X-ray single particle imaging towards real-time reconstruction.

Computer science↗

DOE OSTI2024

Investigating the impact of intermediate-mode perturbations on diagnosing plasma conditions in DT cryogenic implosions via synthetic x-ray Thomson scattering

The pursuit of inertial confinement fusion ignition target designs requires precise experimental validation of the conditions within imploding capsules, in particular the density and temperature of the compressed shell. Previous work has identified x-ray Thomson scattering (XRTS) as a viable diagnostic tool for inferring the in-flight compressed deuterium-tritium shell conditions during capsule implosions (Poole et al 2022 Phys. Plasmas 29 072703). However, this study focused on one-dimensional simulations, which do not account for the growth of hydrodynamic instabilities. In this work, two-dimensional DRACO simulations incorporating intermediate-mode perturbations up to Legendre mode l = 50 were used to generate synthetic XRTS spectra with the SPECT3D code. The analysis employed Markov-Chain Monte Carlo techniques to infer plasma conditions from these spectra. The results demonstrate that the XRTS diagnostic platform can effectively discern the in-flight compressed shell conditions for targets with varying adiabats, even in the presence of intermediate-mode perturbations. This work underscores the potential of XRTS for realistic inertial confinement fusion experiments, providing a robust method for probing the complex dynamics of fusion implosions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2017

Application of Machine Learning to Rotorcraft Health Monitoring

Machine learning is a powerful tool for data exploration and model building with large data sets. This project aimed to use machine learning techniques to explore the inherent structure of data from rotorcraft gear tests, relationships between features and damage states, and to build a system for predicting gear health for future rotorcraft transmission applications. Classical machine learning techniques are difficult, if not irresponsible to apply to time series data because many make the assumption of independence between samples. To overcome this, Hidden Markov Models were used to create a binary classifier for identifying scuffing transitions and Recurrent Neural Networks were used to leverage long distance relationships in predicting discrete damage states. When combined in a workflow, where the binary classifier acted as a filter for the fatigue monitor, the system was able to demonstrate accuracy in damage state prediction and scuffing identification. The time dependent nature of the data restricted data exploration to collecting and analyzing data from the model selection process. The limited amount of available data was unable to give useful information, and the division of training and testing sets tended to heavily influence the scores of the models across combinations of features and hyper-parameters. This work built a framework for tracking scuffing and fatigue on streaming data and demonstrates that machine learning has much to offer rotorcraft health monitoring by using Bayesian learning and deep learning methods to capture the time dependent nature of the data. Suggested future work is to implement the framework developed in this project using a larger variety of data sets to test the generalization capabilities of the models and allow for data exploration.

machine learning↗

DOE OSTI2025

Next-Level Energy Management in Manufacturing: Facility-Level Energy Digital Twin Framework Based on Machine Learning and Automated Data Collection

This research introduces an energy prediction framework at the facility level supported by automated data collection and machine learning models. It investigates whether reducing the prediction time scale allows for applying more complex machine learning techniques and if those techniques improve the prediction accuracy. The primary advantages of this framework lie in its automation of the energy prediction process and its provision of real-time energy data suitable for use in energy dashboards or digital twins. A sitewide dataset was created by combining 15 min energy and daily production data of five shops—assembly, battery, body (electric), body (gas), and paint—from a globally recognized electric vehicle manufacturer. Various machine learning models were evaluated on daily, weekly, and monthly datasets, including, in increasingly complex order: naïve, simple linear regression, net regularized generalized linear regression, principal component regression, k-nearest neighbor, random forest, and Bayesian regularized neural network. Compared to the current state-of-the-art energy consumption prediction for the industrial facility level, this research investigates more complex models and smaller time intervals for higher accuracy. The findings revealed that the more complex monthly models require a minimum of a year and a half of data to operate, while weekly models demand a year of data to achieve improved accuracy. Daily models can operate with only six months of data but exhibit poor performance due to reduced prediction accuracy of production. Key challenges identified include access to reliable, high-quality energy and production data and the initial demand for human labor.

digital twin↗

DOE OSTI2025

U.S. Solar Siting Regulation and Zoning Ordinances (2025)

A machine readable collection of documented solar siting ordinances at the state and local (e.g., county, township) level throughout the United States. The data were compiled using the Infrastructure Continuous Ordinance Mapping for Planning and Siting Systems (INFRA-COMPASS) tool, which leverages Large Language Models (LLMs) to automate the collection of local codes and ordinances applicable to energy infrastructure. URLs for the ordinance source documents are included in the Solar Ordinances spreadsheet. The GeoPackage file included below contains the jurisdiction shapes for each ordinance. Note that the GeoPackage file is formatted for ingestion by NLR's reVX setbacks tool and therefore does not contain any of the state-level regulations. NOTE: This data was collected with the help of generative AI. The Large Language Models used for this effort make mistakes. Always validate the data for critical use cases. This data is an update to a previously developed database of wind ordinances found in OEDI Submission 5734: see the "U.S. Solar Siting Regulation and Zoning Ordinances 2022" link below. INFRA-COMPASS version used for collection: v0.11.3 LLMs used for collection: GPT-4.1, GPT-4.1 mini, GPT-4.1 nano

14 SOLAR ENERGY↗