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All sources NASA NTRS DOE OSTI

DOE OSTI2025

High temperature nuclear data measurements of SiC, ZrC, and MgO [Slides]

Performed temperature dependent measurements of SiC and ZrC at ARCS instrument at SNS. Performed temperature dependent measurements of SiC, ZrC, and MgO at VISION instrument at SNS. Performed initial atomistic modeling of these materials using various techniques, including machine learned potentials. Future work includes temperature dependent transmission measurements of these materials, as well as improving the machine learned potentials with more training data and different machine learned frameworks.

ARCS↗

DOE OSTI2025

Improving vertical detail in simulated temperature and humidity data using machine learning

Atmospheric models used for weather forecasting and climate predictions discretise the atmosphere onto a vertical grid. There are however atmospheric phenomena that occur on scales smaller than the thickness of those model layers. The formation of low-level clouds due to temperature inversions is an example. This leads to atmospheric models underestimating, or even missing, these clouds and their radiative effects. Using radiosonde observations as training data, a machine learning model is used to improve the vertical detail of modelled profiles of temperature and specific humidity. In addition, a physics-informed machine learning model is developed and compared to the traditional approach; showing improvements in the cloud fraction profiles calculated from its predictions. The vertically enhanced profiles also improve the representation of layers of convective inhibition and anomalous refractivity gradients. This work facilitates targeted improvements to the representation of certain atmospheric processes without the burden of increased memory and computational cost from increasing vertical resolution throughout the whole model.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1993

Classification Of Terrain In Polarimetric SAR Images

Two algorithms processing polarimetric synthetic-aperture-radar data found effective in assigning various parts of SAR images to classes representing different types of terrain. Partially automate interpretation of SAR imagery, reducing amount of photointerpretation needed and putting whole interpretation process on more quantitative and systematic basis. First algorithm implements Bayesian classification scheme "supervised" by use of training data. Second algorithm implements classification procedure unsupervised.

Van Zyl, Jakob J.↗

DOE OSTI2020

Reinforcement learning based automated history matching for improved hydrocarbon production forecast

History matching aims to find a numerical reservoir model that can be used to predict the reservoir performance. An engineer and model calibration (data inversion) method are required to adjust various parameters/properties of the numerical model in order to match the reservoir production history. In this study, we develop deep neural networks within the reinforcement learning framework to achieve automated history matching that will reduce engineers’ efforts, human bias, automatically and intelligently explore the parameter space, and remove the need of large set of labeled training data. To that end, a fast-marching-based reservoir simulator is encapsulated as an environment for the proposed reinforcement learning. The deep neural-network-based learning agent interacts with the reservoir simulator within reinforcement learning framework to achieve the automated history matching. Reinforcement learning techniques, such as discrete Deep Q Network and continuous Deep Deterministic Policy Gradients, are used toth, used to train the learning agents. The continuous actions enable the Deep Deterministic Policy Gradients to explore more states at each iteration in a a learning episode; consequently, a better history matching is achieved using this algorithm as compared to Deep Q Network. For simplified dual-target composite reservoir models, the best history-matching performances of the discrete and continuous learning methods in terms of normalized root mean square errors are 0.0447 and 0.0038, respectively. Furthermore, our study shows that continuous action space achieved by the deep deterministic policy gradient drastically outperforms deep Q network.

42 ENGINEERING↗

DOE OSTI2023

Canonical and noncanonical Hamiltonian operator inference

Here, a method for the nonintrusive and structure-preserving model reduction of canonical and noncanonical Hamiltonian systems is presented. Based on the idea of operator inference, this technique is provably convergent and reduces to a straightforward linear solve given snapshot data and gray-box knowledge of the system Hamiltonian. Examples involving several hyperbolic partial differential equations show that the proposed method yields reduced models which, in addition to being accurate and stable with respect to the addition of basis modes, preserve conserved quantities well outside the range of their training data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Deciphering the Scattering of Mechanically Driven Polymers Using Deep Learning

Here, we present a deep learning approach for analyzing two-dimensional scattering data of semiflexible polymers under external forces. In our framework, scattering functions are compressed into a three-dimensional latent space using a Variational Autoencoder (VAE), and two converter networks establish a bidirectional mapping between the polymer parameters (bending modulus, stretching force, and steady shear) and the scattering functions. The training data are generated using off-lattice Monte Carlo simulations to avoid the orientational bias inherent in lattice models, ensuring robust sampling of polymer conformations. The feasibility of this bidirectional mapping is demonstrated by the organized distribution of polymer parameters in the latent space. By integrating the converter networks with the VAE, we obtain a generator that produces scattering functions from given polymer parameters and an inferrer that directly extracts polymer parameters from scattering data. While the generator can be utilized in a traditional least-squares fitting procedure, the inferrer produces comparable results in a single pass and operates 3 orders of magnitude faster. This approach offers a scalable automated tool for polymer scattering analysis and provides a promising foundation for extending the method to other scattering models, experimental validation, and the study of time-dependent scattering data.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗

DOE OSTI2021

Factors Governing Oxygen Vacancy Formation in Oxide Perovskites

The control of oxygen vacancy (V O ) formation is critical to advancing multiple metal-oxide-perovskite-based technologies. In this work, we report the construction of a compact linear model for the neutral V O formation energy in ABO 3 perovskites that reproduces, with reasonable fidelity, Hubbard-U-corrected density functional theory calculations based on the state-of-the-art, strongly constrained and appropriately normed exchange-correlation functional. We obtain a mean absolute error of 0.45 eV for perovskites stable at 298 K, an accuracy that holds across a large, electronically diverse set of ABO 3 perovskites. Our model considers perovskites containing alkaline-earth metals (Ca, Sr, and Ba) and lanthanides (La and Ce) on the A-site and 3d transition metals (Ti, V, Cr, Mn, Fe, Co, and Ni) on the B-site in six different crystal systems (cubic, tetragonal, orthorhombic, hexagonal, rhombohedral, and monoclinic) common to perovskites. Physically intuitive metrics easily extracted from existing experimental thermochemical data or via inexpensive quantum mechanical calculations, including crystal bond dissociation energies and (solid phase) reduction potentials, are key components of the model. Beyond validation of the model against known experimental trends in materials used in solid oxide fuel cells, the model yields new candidate perovskites not contained in our training data set, such as (Bi,Y)(Fe,Co)O 3 , which we predict may have favorable thermochemical water-splitting properties. The confluence of sufficient accuracy, efficiency, and interpretability afforded by our model not only facilitates high-throughput computational screening for any application that requires the precise control of V O concentrations but also provides a clear picture of the dominant physics governing V O formation in metal-oxide perovskites.

08 HYDROGEN↗

DOE OSTI2024

Exploring 2D X-ray diffraction phase fraction analysis with convolutional neural networks: Insights from kinematic-diffraction simulations

Abstract Deep-learning models are effective for analyzing the complex information in 2D X-ray diffraction (XRD) patterns. Accurately collecting parameters of the material sample is crucial during model training, significantly impacting model performance. In this study, we employ a kinematic-diffraction simulator to generate simulated 2D XRD patterns for Ti–6Al–4V alloy, allowing precise control of sample parameters. These simulated patterns are used to train convolutional neural networks, predicting $$\upbeta$$ β -phase volume fractions. The training data set consists exclusively of 2D XRD patterns with pure $$\upalpha$$ α - or pure $$\upbeta$$ β -phase, while the testing set incorporates patterns with intermediate phase volume fraction. In particular, we investigate how the architectures of the model influence prediction reliability and computational performance. Experimental results reveal that, with appropriate training, the convolutional neural network accurately detects intermediate phase volume fractions even trained with only pure-phase patterns, achieving a mean square error accuracy of $$9.4 \times 10^{-4}$$ 9.4 × 10 - 4 . Graphical abstract

Yue, Weiqi↗

NASA NTRS2011

Shoulder Injuries in US Astronauts Related to EVA Suit Design

Introduction: For every one hour spent performing extravehicular activity (EVA) in space, astronauts in the US space program spend approximately six to ten hours training in the EVA spacesuit at NASA-Johnson Space Center's Neutral Buoyancy Lab (NBL). In 1997, NASA introduced the planar hard upper torso (HUT) EVA spacesuit which subsequently replaced the existing pivoted HUT. An extra joint in the pivoted shoulder allows increased mobility but also increased complexity. Over the next decade a number of astronauts developed shoulder problems requiring surgical intervention, many of whom performed EVA training in the NBL. This study investigated whether changing HUT designs led to shoulder injuries requiring surgical repair. Methods: US astronaut EVA training data and spacesuit design employed were analyzed from the NBL data. Shoulder surgery data was acquired from the medical record database, and causal mechanisms were obtained from personal interviews Analysis of the individual HUT designs was performed as it related to normal shoulder biomechanics. Results: To date, 23 US astronauts have required 25 shoulder surgeries. Approximately 48% (11/23) directly attributed their injury to training in the planar HUT, whereas none attributed their injury to training in the pivoted HUT. The planar HUT design limits shoulder abduction to 90 degrees compared to approximately 120 degrees in the pivoted HUT. The planar HUT also forces the shoulder into a forward flexed position requiring active retraction and extension to increase abduction beyond 90 degrees. Discussion: Multiple factors are associated with mechanisms leading to shoulder injury requiring surgical repair. Limitations to normal shoulder mechanics, suit fit, donning/doffing, body position, pre-existing injury, tool weight and configuration, age, in-suit activity, and HUT design have all been identified as potential sources of injury. Conclusion: Crewmembers with pre-existing or current shoulder injuries or certain anthropometric body types should conduct NBL EVA training in the pivoted HUT.

Scheuring, R. A.↗

DOE OSTI2024

Learning dynamical systems from data: An introduction to physics-guided deep learning

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are first-principled, explainable, and sample-efficient. However, they often rely on strong modeling assumptions and expensive numerical integration, requiring significant computational resources and domain expertise. While deep learning (DL) provides efficient alternatives for modeling complex dynamics, they require a large amount of labeled training data. Furthermore, its predictions may disobey the governing physical laws and are difficult to interpret. Physics-guided DL aims to integrate first-principled physical knowledge into data-driven methods. It has the best of both worlds and is well equipped to better solve scientific problems. Recently, this field has gained great progress and has drawn considerable interest across discipline Here, we introduce the framework of physics-guided DL with a special emphasis on learning dynamical systems. We describe the learning pipeline and categorize state-of-the-art methods under this framework. We also offer our perspectives on the open challenges and emerging opportunities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Improving Reliability of Large Language Models for Nuclear Power Plant Diagnostics [Poster]

Large Language Models (LLMs) struggle out of the box when answering factually about detailed questions, especially in domains that are sparsely represented in their training data. This causes hallucinations and reduces reliability making it difficult for them to be used in practice. This work shows that using RAG techniques can improve factual accuracy and reliability, allowing for the application of LLMs in specialized areas, even when those areas that aren’t extensively covered in their initial training.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1980

Measurement of liquid water content in a melting snowpack using cold calorimeter techniques

Liquid water in a snowpack is a quantifiable parameter of hydrological significance. It is also important in the interpretation of snowpack remote sensing data using microwave techniques. One acceptable approach to measuring liquid water content of a snowpack (by weight) is the cold calorimeter. This technique is presented from theory through application. Silicon oil was used successfully as the freezing agent. Consistent results can be obtained even when using operators with a minimum of training. Data can be obtained approximately every 15 minutes by using two calorimeters and three operators. Accuracy within one to two percent can be achieved under reasonable field conditions.

Rango, A.↗

DOE OSTI2024

Improving Reliability of Large Language Models for Nuclear Power Plant Diagnostics Technical Presentation

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Deep Learning Analysis of Polaritonic Wave Images

Deep learning (DL) is an emerging analysis tool across the sciences and engineering. Encouraged by the successes of DL in revealing quantitative trends in massive imaging data, we applied this approach to nanoscale deeply subdiffractional images of propagating polaritonic waves in complex materials. Utilizing the convolutional neural network (CNN), we developed a practical protocol for the rapid regression of images that quantifies the wavelength and the quality factor of polaritonic waves. Using simulated near-field images as training data, the CNN can be made to simultaneously extract polaritonic characteristics and material parameters in a time scale that is at least 3 orders of magnitude faster than common fitting/processing procedures. The CNN-based analysis was validated by examining the experimental near-field images of charge-transfer plasmon polaritons at graphene/α-RuCl3 interfaces. Our work provides a general framework for extracting quantitative information from images generated with a variety of scanning probe methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A divergence-free constrained magnetic field interpolation method for scattered data

An interpolation method to evaluate magnetic fields, given its unstructured and scattered magnetic data, is presented. The method is based on the reconstruction of the global magnetic field using a superposition of orthogonal functions. The coefficients of the expansion are obtained by minimizing a cost function defined as the L2 norm of the difference between the ground truth and the reconstructed magnetic field evaluated on the training data. The divergence-free condition is incorporated as a constraint in the cost function, allowing the method to achieve arbitrarily small errors in the magnetic field divergence. An exponential decay of the approximation error is observed and compared with the less favorable algebraic decay of local splines. Compared to local methods involving computationally expensive search algorithms, the proposed method exhibits a significant reduction of the computational complexity of the field evaluation, while maintaining a small error in the divergence even in the presence of magnetic islands and stochasticity. Finally, applications to the computation of Poincaré sections using data obtained from numerical solutions of the magnetohydrodynamic equations in toroidal geometry are presented and compared with local methods currently in use.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2000

BOREAS TE-18 Landsat TM Physical Classification Image of the SSA

The BOREAS TE-18 team focused its efforts on using remotely sensed data to characterize the successional and disturbance dynamics of the boreal forest for use in carbon modeling. The objective of this classification is to provide the BOREAS investigators with a data product that characterizes the land cover of the SSA. A Landsat-5 TM image from 02-Sep-1994 was used to derive the classification. A technique was implemented that uses reflectances of various land cover types along with a geometric optical canopy model to produce spectral trajectories. These trajectories are used as training data to classify the image into the different land cover classes. These data are provided in a binary image file format. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Activity Archive Center (DAAC).

Hall, Forrest G.↗

NASA NTRS2000

BOREAS TE-18 Landsat TM Maximum Likelihood Classification Image of the SSA

The BOREAS TE-18 team focused its efforts on using remotely sensed data to characterize the successional and disturbance dynamics of the boreal forest for use in carbon modeling. The objective of this classification is to provide the BOREAS investigators with a data product that characterizes the land cover of the SSA. A Landsat-5 TM image from 02-Sep- 1994 was used to derive the classification. A technique was implemented that uses reflectances of various land cover types along with a geometric optical canopy model to produce spectral trajectories. These trajectories are used as training data to classify the image into the different land cover classes. These data are provided in a binary image file format. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Active Center (DAAC).

Hall, Forrest G.↗

NASA NTRS2009

Flightspeed Integral Image Analysis Toolkit

The Flightspeed Integral Image Analysis Toolkit (FIIAT) is a C library that provides image analysis functions in a single, portable package. It provides basic low-level filtering, texture analysis, and subwindow descriptor for applications dealing with image interpretation and object recognition. Designed with spaceflight in mind, it addresses: Ease of integration (minimal external dependencies) Fast, real-time operation using integer arithmetic where possible (useful for platforms lacking a dedicated floatingpoint processor) Written entirely in C (easily modified) Mostly static memory allocation 8-bit image data The basic goal of the FIIAT library is to compute meaningful numerical descriptors for images or rectangular image regions. These n-vectors can then be used directly for novelty detection or pattern recognition, or as a feature space for higher-level pattern recognition tasks. The library provides routines for leveraging training data to derive descriptors that are most useful for a specific data set. Its runtime algorithms exploit a structure known as the "integral image." This is a caching method that permits fast summation of values within rectangular regions of an image. This integral frame facilitates a wide range of fast image-processing functions. This toolkit has applicability to a wide range of autonomous image analysis tasks in the space-flight domain, including novelty detection, object and scene classification, target detection for autonomous instrument placement, and science analysis of geomorphology. It makes real-time texture and pattern recognition possible for platforms with severe computational restraints. The software provides an order of magnitude speed increase over alternative software libraries currently in use by the research community. FIIAT can commercially support intelligent video cameras used in intelligent surveillance. It is also useful for object recognition by robots or other autonomous vehicles

Thompson, David R.↗