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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantification of the Impact of Acidified Brine on Fracture-Matrix Transport in a Naturally Fractured Shale Using in Situ Imaging and Modeling

Understanding flow, transport, chemical reactions, and hydromechanical processes in fractured geologic materials is key for optimizing a range of subsurface processes including carbon dioxide and hydrogen storage, unconventional energy resource extraction, and geothermal energy recovery. Flow and transport processes in naturally fractured shale rocks have been challenging to characterize due to experimental complexity and the multiscale nature of quantifying continuum scale descriptions of mass exchange between micrometer-scale fractures and nanometer-scale pores. In this study, we use positron emission tomography (PET) to image the transport of a conservative tracer in a naturally fractured Wolfcamp shale core before and after the core was exposed to low pH brine conditions. Image-based experimental observations are interpreted by fitting an analytical transport model to fracture-containing voxels in the core. Results of this analysis indicate subtle increases in matrix diffusivity and a slightly more uniform fracture velocity distribution following exposure to low pH conditions. These observations are compared with a multicomponent one-dimensional reactive transport model that indicates the capacity for a 10% increase in porosity at the fracture-matrix interface as a result of the low pH brine exposure. This porosity change is the result of the dissolution of carbonate minerals in the shale matrix to low pH conditions. Further, this image-based workflow represents a new approach for quantifying spatially resolved fracture-matrix transport processes and provides a foundation for future work to better understand the role of coupled transport, reaction, and mechanical processes in naturally fractured rocks.

58 GEOSCIENCES↗
DOE OSTI2022

Accelerated Probabilistic Marching Cubes by Deep Learning for Time-Varying Scalar Ensembles

Visualizing the uncertainty of ensemble simulations is challenging due to the large size and multivariate and temporal features of en-semble data sets. One popular approach to studying the uncertainty of ensembles is analyzing the positional uncertainty of the level sets. Probabilistic marching cubes is a technique that performs Monte Carlo sampling of multivariate Gaussian noise distributions for positional uncertainty visualization of level sets. However, the technique suffers from high computational time, making interactive visualization and analysis impossible to achieve. This paper introduces a deep-learning-based approach to learning the level-set uncertainty for two-dimensional ensemble data with a multivariate Gaussian noise assumption. We train the model using the first few time steps from time-varying ensemble data in our workflow. We demonstrate that our trained model accurately infers uncertainty in level sets for new time steps and is up to 170X faster than that of the original probabilistic model with serial computation and 10X faster than that of the original parallel computation.

Han, Mengjiao↗
DOE OSTI2018

Homogenizing OSG and XSEDE: Providing Access to XSEDE Allocations through OSG Infrastructure

We present a system that allows individual researchers and virtual organizations (VOs) to access allocations on Stampede2 and Bridges through the Open Science Grid (OSG), a national grid infrastructure for running high throughput computing (HTC) tasks. Using this system, VOs and researchers are able to run larger workflows than can be done with OSG resources alone. This system allows a VO or user to run on XSEDE resources (with their allocation) using the same framework used with OSG resources. The system consists of two parts: the compute element (CE) that routes workloads to the appropriate user accounts and allocation on XSEDE resources, and simulated access to the CernVM Filesystem (CVMFS) servers used by OSG and VOs to distribute software and data. This allows jobs submitted through this system to work on a homogeneous environment regardless of whether they run on XSEDE HPC resources (like Stampede2 and Bridges) or OSG.

Thapa, Thapa,Suchandra↗
DOE OSTI2017

ESnet Network Operating System (ENOS)

ENOS is a prototype next-generation ESnet architecture for handling data-intensive science workflows. The concept of a 'network operating system', a software layer that enables applications to get information about the network and to program it to meet its needs, has been around in academic papers for a while but appears to be feasible now due to the wide adoption of the Software-Defined Networking (SDN) paradigm. The SDN paradigm constitutes a network architecture that separates the control plane from the distributed data plane and provides logical centralization of the network control and state. These logical central control plane capabilities can be evolved to become the operating system through which the network policies are implemented across the entire network and applications can program network behavior.

ESnet↗
DOE OSTI2025

Establishing model credibility for process-microstructure-property relationships in additive manufacturing using exascale computing

Additive Manufacturing (AM) of alloys holds significant promise as a disruptive technology in various industries, yet its adoption is often hindered by challenges in achieving consistent part quality. These issues are primarily due to the complex process-microstructure-property (PSP) relationships inherent to AM. Computational models can greatly aid in understanding these relationships, but their widespread impact and adoption has been limited by a lack of validated, open-source, and computationally efficient PSP modeling frameworks and hardware limitations. Here, this study leverages the ExaAM software suite and data from the AMBench-2018 series of laser powder bed fusion (LPBF) benchmark experiments to perform a comprehensive model assessment, including verification, validation, sensitivity analysis, and uncertainty quantification. The RADICAL-EnTK workflow manager was used to perform an ensemble of heat transport, solidification, and mechanical response simulations on the exascale computer Frontier, considering uncertainties in critical model inputs such as laser spot size and nucleation parameters, and consisting of 125 explicit grain structure simulations and 7875 crystal plasticity simulations. For a selected location within the Inconel 625 AMBench-2018 test artifact, sensitivity analysis and uncertainty quantification were performed using the predicted distributions of grain structure and mechanical properties. Qualitative agreement was found between the predicted grain size and texture and the observed AMBench-2018 microstructure, the mean predicted yield stress was within 5% of the experimental measurement mean, and the mean predicted engineering stress at 5% strain was within 10% of the experimental measurement mean. The insights gained from development and validation of the ExaAM PSP modeling framework will help guide future directions for enhancing the credibility and reliability of PSP models in AM, thereby accelerating the adoption of AM technologies in various industries.

Additive manufacturing↗
DOE OSTI2023

Legacy Well Leakage Risk Analysis at the Farnsworth Unit Site

This paper summarizes the results of the risk analysis and characterization of the CO 2 and brine leakage potential of Farnsworth Unit (FWU) site wells. The study is part of the U.S. DOE’s National Risk Assessment Partnership (NRAP) program, which aims to quantitatively evaluate long-term environmental risks under conditions of significant geologic uncertainty and variability. To achieve this, NRAP utilizes risk assessment and computational tools specifically designed to quantify uncertainties and calculate the risk associated with geologic carbon dioxide (CO 2 ) sequestration. For this study, we have developed a workflow that utilizes physics-based reservoir simulation results as input to perform leakage calculations using NRAP Tools, specifically NRAP-IAM-CS and RROM-Gen. These tools enable us to conduct leakage risk analysis based on ECLIPSE reservoir simulation results and to characterize wellbore leakage at the Farnsworth Unit Site. We analyze the risk of leakage from both individual wells and the entire field under various wellbore integrity distribution scenarios. The results of the risk analysis for the leakage potential of FWU wells indicate that, when compared to the total amount of CO 2 injected, the highest cemented well integrity distribution scenario (FutureGen high flow rate) exhibits approximately 0.01% cumulative CO 2 leakage for a 25-year CO 2 injection duration at the end of a 50-year post-injection monitoring period. In contrast, the highest possible leakage scenario (open well) shows approximately 0.1% cumulative CO 2 leakage over the same time frame.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Deep Learning and Photogrammetric Reconstruction for Automated Crack Detection and Dimensional Measurement in Mining Operations

Surface crack detection and dimensional measurement at active mining sites present significant safety and operational challenges. Manual inspection methods are labor-intensive, spatially incomplete, and expose personnel to hazardous environments, while existing automated approaches have been developed primarily for concrete civil infrastructure and have not been validated on the complex, variable surfaces characteristic of mining environments. This dissertation presents an automated pipeline that integrates deep learning semantic segmentation with Structure-from-Motion photogrammetry to detect surface cracks and measure their aperture, length, and vertical displacement from standard RGB imagery acquired during routine Uncrewed Aerial Vehicle (UAV) survey operations, without requiring additional sensor hardware or manual measurement. The pipeline combines a U-Net architecture with an EfficientNet-B0 encoder, pretrained on the SDNET2018 concrete crack dataset and fine-tuned on a mining-specific dataset spanning laboratory concrete specimens, coal refuse impoundment embankments, and post-blast limestone quarry benches. Photogrammetric reconstruction is performed using COLMAP Structure-from-Motion and Multi-View Stereo, with crack segmentation masks projected into the reconstructed point cloud to enable three-dimensional vertical displacement measurement through local plane fitting and bimodal surface detection. The pipeline was validated across 36 controlled laboratory specimens at three imaging distances and four vertical displacement levels, achieving aperture measurement RMSE of 0.047 cm and R² of 0.954, and vertical displacement RMSE of 0.140 cm and R² of 0.966, against independent caliper measurements. Field application at a coal refuse impoundment in southwestern Pennsylvania detected 71 crack components across the embankment crest, with a dominant longitudinal crack exhibiting aperture values reaching 28 cm and a 95th percentile vertical displacement of 35.53 cm, consistent in magnitude and spatial distribution with simultaneously acquired LiDAR-derived estimates. Application across four post-blast limestone quarry bench datasets in California successfully characterized blast-induced fracture networks at ground sampling distances ranging from 0.59 to 1.23 cm/pixel, with detected crack geometries physically consistent with observable surface conditions at each site. The results demonstrate that deep learning-based crack detection and photogrammetric measurement can be integrated into routine UAV inspection workflows at mining sites, providing repeatable, scalable, and quantitative crack characterization across surface types, crack scales, and displacement magnitudes not previously addressed in the literature. The pipeline requires no dedicated surveying equipment beyond the UAV platforms already deployed at mine sites for survey and monitoring purposes, supporting practical adoption within existing operational workflows.

Crack detection, Dimensional Measurement↗
NASA NTRSDate not supplied

Application of Framework for Estimating Performance and Associated Uncertainty for Modified Aircraft Configurations Using NASA's X-57 Maxwell

A framework to estimate the performance and associated uncertainty of modified configurations of certified aircraft is applied to the X-57 Maxwell aircraft. In previous theoretical studies, the framework was shown to predict performance and uncertainty bounds accurately. The X-57 Maxwell is an experimental aircraft designed to demonstrate the benefits of distributed electric propulsion through a series of four incremental modifications to a Tecnam P2006T aircraft. The available models and data are first shown to be within the application domain of the framework. We then apply the framework to two X-57 Maxwell modifications. We compare the estimated performance and associated uncertainties against the airworthiness criteria. The results indicate that the framework is a promising tool for the certification by analysis workflow. We expect the framework to reduce and supplement the flight testing required to show compliance to airworthiness certification criteria for a modified configuration.

Uncertainty Quantification↗
NASA NTRSDate not supplied

Application of Framework for Estimating Performance and Associated Uncertainty for Modified Aircraft Configurations Using NASA's X-57 Maxwell

A framework to estimate the performance and associated uncertainty of modified configurations of certified aircraft is applied to the X-57 Maxwell aircraft. In previous theoretical studies, the framework was shown to predict performance and uncertainty bounds accurately. The X-57 Maxwell is an experimental aircraft designed to demonstrate the benefits of distributed electric propulsion through a series of four incremental modifications to a Tecnam P2006T aircraft. The available models and data are first shown to be within the application domain of the framework. We then apply the framework to two X-57 Maxwell modifications. We compare the estimated performance and associated uncertainties against the airworthiness criteria. The results indicate that the framework is a promising tool for the certification by analysis workflow. We expect the framework to reduce and supplement the flight testing required to show compliance to airworthiness certification criteria for a modified configuration.

Uncertainty Quantification↗
DOE OSTI2024

A high-throughput workflow to analyze sequence-conformation relationships and explore hydrophobic patterning in disordered peptoids

Understanding how a macromolecule’s primary sequence governs its conformational landscape is crucial for elucidating its function, yet these design principles are still emerging for macromolecules with intrinsic disorder. Herein, we introduce a high-throughput workflow that implements a practical colorimetric conformational assay, introduces a semi-automated sequencing protocol using matrix-assisted laser desorption/ionization and tandem mass spectrometry (MALDI-MS/MS), and develops a generalizable sequence-structure algorithm. Using a model system of 20mer peptidomimetics containing polar glycine and hydrophobic N-butylglycine residues, we identified nine classifications of conformational disorder and isolated 122 unique sequences across varied compositions and conformations. Conformational distributions of three compositionally identical library sequences were corroborated through atomistic simulations and ion mobility spectrometry coupled with liquid chromatography. A data-driven strategy was developed using existing sequence variables and data-derived “motifs” to inform a machine-learning algorithm toward conformation prediction. Here, this multifaceted approach enhances our understanding of sequence-conformation relationships and offers a powerful tool for accelerating the discovery of materials with conformational control.

data-driven analysis↗
DOE OSTI2024

Automated Gold Nanorod Spectral Morphology Analysis Pipeline

The development of a colloidal synthesis procedure to produce nanomaterials with high shape and size purity is often a time-consuming, iterative process. This is often due to quantitative uncertainties in the required reaction conditions and the time, resources, and expertise intensive characterization methods required for quantitative determination of nanomaterial size and shape. Absorption spectroscopy is often the easiest method for colloidal nanomaterial characterization. However, due to the lack of a reliable method to extract nanoparticle shapes from absorption spectroscopy, it is generally treated as a more qualitative measure for metal nanoparticles. This work demonstrates a gold nanorod (AuNR) spectral morphology analysis tool, called AuNR-SMA, which is a fast and accurate method to extract quantitative structural information from colloidal AuNR absorption spectra. To demonstrate the practical utility of this model, we apply it to three distinct applications. First, we demonstrate this model's utility as an automated analysis tool in a high-throughput AuNR synthesis procedure by generating quantitative size information from optical spectra. Second, we use the predictions generated by this model to train a machine learning model to predict the resulting AuNR size distributions under specified reaction conditions. Third, we apply this model to spectra extracted from the literature where no size distributions are reported and impute unreported quantitative information on AuNR synthesis. This approach can potentially be extended to any other nanocrystal system where absorption spectra are size dependent, and accurate numerical simulation of absorption spectra is possible. In addition, this pipeline could be integrated into automated synthesis apparatuses to provide interpretable data from simple measurements, help explore the synthesis science of nanoparticles in a rational manner, or facilitate closed-loop workflows.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Flow behavior of hydraulic fractured tight formations considering Pre-Darcy flow using EDFM

For tight reservoirs/formations, flow in fracture and matrix obey different flow patterns. Pre-Darcy flow always exists in low permeability subsurface porous media while Darcy flow can be applied in fracture. It is an outstanding challenge to understand the flow behavior coupling different flow mechanisms. As numerical simulation can predict field-scale performance so the development of efficient simulation method becomes a key issue to evaluate the flow behavior. In this paper, we develop an improved discrete fracture model based on the widely used embedded discrete facture model (EDFM) to simulate the transport both in homogenous and heterogeneous porous media in the presence of Pre-Darcy flow. The conservation equations are derived for fracture and matrix firstly and then discretized by fully implicit method. The transmissibility of different connection types is defined and the detailed calculation workflow is presented as well. The proposed model is verified through the comparison with the model using local grid refined (LGR) method. It is discovered that our simulation method exhibits good accuracy when analyzing the effect of Pre-Darcy flow. Some examples are shown including 1D scalar transport, 2D heterogeneous, 3D flow, complex fracture system and multiple well system problems with fully-coupled flow in fracture and matrix. The pressure distribution and well flux are demonstrated to analyze the Pre-Darcy flow characteristics. Results indicate that the new model works robustly for different flow problems which provide further insight into the Pre-Darcy flow in low permeability media.

02 PETROLEUM↗
DOE OSTI2022

User-Focused Tools to Enhance IT/OT Cyber Resilience within the Power Grid

The power grid is undergoing several changes that are increasing its complexity as nexuses between electric-gas, transmission-distribution, and energy-communications continue to become increasingly critical. This system is heavily dependent on communication infrastructure and controls, and it relies on humans in operational technology (OT) and information technology (IT) roles to manage the increasing breadth, depth, and speed of data. Many technical challenges have presented themselves and will need to be addressed to provide reliable grid operations. With increased reliance on distributed controls and communication infrastructure, cybersecurity becomes an inherent requirement. When considering current cyber-physical security solutions for the power grid, one can notice a clear divide between information technology and operation technology networks. However, in real-life applications, these networks are interdependent. This work presents results of interviews with key utility cybersecurity personnel, analyzes the results, and makes recommendations towards solution of existing technical and operational challenges realized. Existing workflows are presented, wireframe interviews are discussed, and tool requirements are described. The existence of easy-to-implement solutions, based on existing energy management systems, highlight the potential for real-life applications.

cybersecurity, resilience, user-centered design, p↗
DOE OSTI2025

Threat Hunt Guide for BESS Environments

The rapid digitalization of the electric grid - driven by the integration of inverter-based resources (IBRs), battery energy storage systems (BESS), and advanced grid control platforms - has significantly enhanced grid efficiency, visibility, and flexibility. However, this evolution also introduces new cybersecurity risks, particularly through supply chain dependencies and operational blind spots at the grid edge. To address these challenges, Idaho National Laboratory (INL), through the Department of Energy (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER) Rapid Risk initiative, conducted a series of rapid risk assessment engagements with energy organizations across the United States. Drawing on lessons learned from these engagements, INL developed the following threat hunting guide for asset owners and operators (AOOs) to enhance their cybersecurity visibility within BESS and IBR systems. The guide demonstrates how to use passive network monitoring to baseline device behavior, detect adversarial activity, and investigate anomalies without disrupting operations. By implementing these practices, energy sector stakeholders can improve coordination between cybersecurity and operations teams and strengthen the resilience of distributed energy resources (DERs) within the modern power grid. Prior to implementing any network monitoring, packet capture, or threat hunting activity described in this guide, AOOs are strongly advised to review applicable governance frameworks, legal requirements, and organizational policies. This guide is intended for informational and educational purposes only. It does not replace compliance with any federal, state, or local cybersecurity mandates or industry standards. Implementation of described configurations, technologies, or analytic workflows is performed at the discretion and responsibility of the asset owner and operator.

25 - ENERGY STORAGE↗
DOE OSTI2026

A User-Friendly GUI Tool for Automated Microstructural Analysis of Fiber-Reinforced Composites and Porous Structures

Understanding and quantifying microstructural features such as fiber orientation and porosity is critical for predicting the mechanical behavior and performance of fiber-reinforced polymer composites. Traditional manual analysis is time-consuming, subjective, and unsuitable for high-throughput datasets. We present a graphical user interface (GUI) application that automates the analysis of microscopy images to extract key microstructural metrics, including fiber orientation tensors, fiber orientation distribution, porosity and pore size distribution. The app integrates multiple image segmentation techniques including global and local thresholding, clustering, and region-based approaches, offering flexibility for different types of image qualities and features. Users can load microstructural images, select regions of interest and segmentation techniques tailored to their image dataset. It also addresses a critical challenge in fiber orientation analysis: the ambiguities caused by touching, overlapping, or partially cut fibers. It supports autorun examples for standardized workflows, enabling reproducible analysis and facilitating training and benchmarking. This tool significantly reduces manual intervention, enhances consistency, and accelerates data generation for structure–property modeling, process optimization, and digital materials research. The tool is intended for use by materials scientists, engineers, and researchers engaged in composite characterization, quality control, and machine learning-based microstructural studies.

Chawla, Komal [ORNL] (ORCID:0000000190327565)↗
DOE OSTI2024

Operational experience and R&D results using the Google Cloud for High-Energy Physics in the ATLAS experiment

The ATLAS experiment at CERN relies on a Worldwide Distributed Computing Grid infrastructure to support its physics program at the Large Hadron Collider. ATLAS has integrated cloud computing resources to complement its Grid infrastructure and conducted an R&D program on Google Cloud Platform. These initiatives leverage key features of commercial cloud providers: lightweight configuration and operation, elasticity and availability of diverse infrastructures. Here this paper examines the seamless integration of cloud computing services as a conventional Grid site within the ATLAS workflow management and data management systems, while also offering new setups for interactive, parallel analysis. It underscores pivotal results that enhance the on-site computing model and outlines several R&D projects that have benefited from large-scale, elastic resource provisioning models. Furthermore, this study discusses the impact of cloud-enabled R&D projects in three domains: accelerators and AI/ML, ARM CPUs and columnar data analysis techniques.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Nova Analysis (Final Technical Report)

As the adoption of solar plus storage technology is rapidly increasing, there is a need for a more wholistic view of homes adopting them. In homes, both energy efficiency (EE) upgrades and DERs provide value not just to the homeowner, but to utilities and even society at large through emissions. Traditionally, EE and DERs are separate sectors, which makes it difficult to understand the co-benefits of their adoption. To address this, we created a novel workflow of tools that allows for a complete analysis of both efficiency and DERs. We also looked at a suite of metrics designed to capture the different benefits provided to different stakeholders, demonstrated with multiple sets of field data. A final report demonstrates the potential of the simulation workflow by simulating hundreds of buildings spread across the U.S. and demonstrating how a variety of factors affect the optimal sizing of DERs along with several other key metrics including energy, utility bills, emissions, and average resilience hours.

14 SOLAR ENERGY↗
DOE OSTI2024

HybridSystemsSimulations.jl - Solving the Merchant Collocated Facilities with JuMP

The development of new clean-generation technologies also leads to new plant-level architectures that combine several generation and storage assets behind the point of connection. These co-located generation resources (Hybrid Systems) primarily operate as merchant assets that employ automated market bidding models and internal Energy Management Systems (EMS) to comply with the operator's signals. Formulating an optimal bidding model requires embedding the EMS control model into the bidding algorithm, resulting in a bi-level optimization problem. In this presentation, we first showcase using JuMP to formulate and solve this problem effectively for multiple merchant systems and the bidding outcomes considering different model formulations. Second, the bidding outcomes are later integrated into a PowerSimulations.jl (also built with JuMP) simulation to study the system-level effects of the various merchant bidding and the interactions between market-clearing models and the embedded EMS model. We will showcase simulations conducted in the RTS system considering different levels of merchant hybrid systems participation. The presentation provides the following specific insights on JuMP usage: 1) the Formulation of specialized bi-level problems with custom cuts to solve the merchant hybrid system bidding problem; 2) the integration of a modular model within a complex simulation workflow supported by JuMP in PowerSimulations.jl; 3) Accelerating the solution of power systems operations simulation that employ agent optimization problems using JuMP.

energy markets↗