SEARCH · Engineering Papers

Results for “Workflow”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 685 records · Page 38

All sources NASA NTRS DOE OSTI

DOE OSTI2026

Automation of Laser Plasma Focused Ion Beam Microscopy for Next-Gen Energy Materials

Automation can revolutionize the use of ultrafast laser ablation and plasma-focused ion beam (PFIB) techniques for high-throughput, reproducible cross-sectioning and various sample preparation in materials characterization. As these methods become essential for analyzing complex energy materials and next-generation devices, efficient, standardized workflows are needed to minimize variability and enhance precision. This work highlights our advancements in developing automated processes for sample preparation that integrates machine learning, workflow optimization, and large-scale data acquisition to improve efficiency and scalability in applications such as electrolyzers, photovoltaic cells, and microelectronics. To streamline cross-sectioning and lamella fabrication, we have implemented fully automated workflows that standardize laser ablation and PFIB milling sequences. These workflows incorporate pre-programmed protocols for material removal, alignment, and thinning, reducing user intervention and ensuring consistency across different sample types. Machine learning algorithms further enhance automation by predicting optimal milling strategies and adapting parameters based on material properties and sectioning requirements. This approach significantly improves throughput while maintaining the structural integrity of prepared samples for high-resolution imaging and analysis, including transmission electron microscopy. Beyond sample preparation, our automation platform enables the acquisition of large, high-resolution datasets through serial sectioning, image alignment, and 3D reconstruction. These automated routines facilitate multi-scale characterization, capturing structural and compositional details from the nanoscale to the device level. By reducing variability and increasing efficiency, our automated approach enhances defect analysis, failure diagnostics, and process optimization, accelerating advancements in materials research and device engineering.

36 MATERIALS SCIENCE↗

DOE OSTI2026

FAIR Data Meets FAIR Software

Modern scientific research is increasingly defined by the interplay between data, software, and the workflows that connect them. Yet while the FAIR (Findable, Accessible, Interoperable, Reusable) principles have become foundational for scientific data stewardship, the same level of structure and expectation has only recently begun to extend to research software. This talk covers why and how FAIR principles are being applied to data and software to support data reuse. It outlines the gaps in current sharing norms, the growing federal emphasis on persistent identifiers and public access, and the opportunities created when datasets, computational workflows, code, and models are linked through rich, standardized metadata. Practical implementation pathways for the EIC and JLab communities are described, including datacards for structured dataset documentation and provenance-aware workflows. By aligning data lifecycle management with FAIR-aligned software practices, the scientific community can advance toward autonomous knowledge graphs, generative workflows, and high-quality, AI-ready scientific datasets.

McSpadden, Diana [Thomas Jefferson National Accele↗

DOE OSTI2025

Planning Amidst Uncertainty: Identifying Core CCS Infrastructure Robust to Storage Uncertainty

Carbon Capture and Storage (CCS) is a critical technology for reducing anthropogenic CO2 emissions, but its large-scale deployment is complicated by uncertainties in geological storage performance. These uncertainties pose significant financial and operational risks, as underperforming storage sites can lead to costly infrastructure modifications, inefficient pipeline routing, and economic shortfalls. To address this challenge, we propose a novel optimization workflow that is based on mixed-integer linear programming and explicitly integrates probabilistic modeling of storage uncertainty into CCS infrastructure design. This workflow generates multiple infrastructure scenarios by sampling storage capacity distributions, optimally solving each scenario using a mixed-integer linear programming model, and aggregating results into a heatmap to identify core infrastructure components that have a low likelihood of underperforming. A risk index parameter is introduced to balance trade-offs between cost, CO2 processing capacity, and risk of underperformance, allowing stakeholders to quantify and mitigate uncertainty in CCS planning. Applying this workflow to a CCS dataset from the US Department of Energy’s Carbon Utilization and Storage Partnership project reveals key insights into infrastructure resilience. Reducing the risk index from 15% to 0% is observed to lead to an 83.7% reduction in CO2 processing capacity and a 77.1% decrease in project profit, quantifying the trade-off between risk tolerance and project performance. Furthermore, our results highlight critical breakpoints, where small adjustments in the risk index produce disproportionate shifts in infrastructure performance, providing actionable guidance for decision-makers. Unlike prior approaches that aimed to cheaply repair underperforming infrastructure, our workflow constructs robust CCS networks from the ground up, ensuring cost-effective infrastructure under storage uncertainty. These findings demonstrate the practical relevance of incorporating uncertainty-aware optimization into CCS planning, equipping decision-makers with a tool to make informed project planning decisions.

Olson, Daniel↗

DOE OSTI2024

Focused Ion Beam Tomography of Alloy 617 Corroded in Molten Chloride Salt

Materials qualification of reactor structural materials is a critical step in rapid implementation of advanced nuclear reactor technologies, particularly to assess the corrosion performance in these designs. Accelerated qualification of reactor structural materials requires incorporating powerful computational toolsets, such as phase field modelling in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, to predict the evolution of structural materials due to corrosion. Accordingly, computational toolsets will require experimental data generated at appropriate length scales to validate accuracy. Focused ion beam (FIB) provides a high degree of control over manipulation of materials for analytical purposes, including capturing data on the evolution in the microstructure and elemental composition of materials at the mesoscale, an appropriate length scale for phase field modelling of intergranular diffusion phenomena using the MOOSE framework. For instance, the FEI Helios G4 UX dual beam plasma FIB microscope at the Irradiated Materials Characterization Laboratory (IMCL) is capable of backscatter diffraction (EBSD) and energy-dispersive x-ray spectroscopy (EDS) documenting the evolution in the microstructure and elemental composition, respectively. The Helios can perform EDS and EBSD three-dimensionally (3D) using tomography, which is then combined using different software packages to visualize 3D volumes correlating elemental composition to microstructural data. The purpose of this investigation was to develop a streamlined characterization and data processing workflow for 3D tomography studies on the FEI Helios G4 plasma FIB. The investigation is segmented into three parts: 1) Optimizing the data collection workflow, 2) identifying appropriate data processing and visualization software (i.e. DREAM.3D, MIPAR, and VGStudioMax), and 3) establishing an infrastructure for public release. The optimization of the data collection workflow is in collaboration with members of the U220 department to setup formal training on the tomography operation of the G4, through ThermoFisher Scientific, and exploring DREAM.3D, MIPAR, and VGStudioMax data processing/visualization software packages. VGStudioMax currently demonstrates the most promise for future use. Optimization of the data collection and processing workflow is still ongoing. A collaboration with INL High Performance Computing (HPC) established an open-source license for expediting the public release of FIB tomography datasets through HPC. FIB tomography data generated by the G4 will provide comprehensive data for validating 3D phase field mesoscale modelling tools within the MOOSE framework for accelerated qualification of reactor structural materials.

Copeland-Johnson, Trishelle↗

DOE OSTI2025

Dial

A key step in almost all scientific endeavors is answering the question: Given this data I already collected, what new data do I expect will yield the most useful information toward my scientific objective? The area of (sequential) experimental design has long been investigating answers to this question, but in recent years techniques from the machine learning subfield of active learning are increasingly applied. Researchers need a simple software tool for active learning applied to experimental design that can easily integrate into their existing workflows. This computer code, Dial, provides a microservice in ORNL's INTERSECT ecosystem for active learning applied to experimental design. By being part of the INTERSECT ecosystem, Dial is simple to integrate into any INTERSECT-based workflow. Dial provides multiple backend options, where a backend is an implementation of a specific active learning method. Users can select the backend that performs best for their application. Developers can also add new backends as needed. At its core, Dial receives a set of pre-existing measurements and input parameter bounds and then recommends one or more new sets of parameters to measure. Dial also includes interfaces to other microservices in the INTERSECT ecosystem so that it can be incorporated into INTERSECT campaigns. Dial provides a simple, yet powerful interface to convert automated INTERSECT workflows into autonomous workflows that adapt based on the results that are obtained. A shared microservice for active learning prevents duplicated effort by each application team implementing its own adaptive design of experiments tool.

Drane, Lance [Oak Ridge National Laboratory (ORNL)↗

NASA NTRS2002

PIMS-Universal Payload Information Management

As the overall manager and integrator of International Space Station (ISS) science payloads and experiments, the Payload Operations Integration Center (POIC) at Marshall Space Flight Center had a critical need to provide an information management system for exchange and management of ISS payload files as well as to coordinate ISS payload related operational changes. The POIC's information management system has a fundamental requirement to provide secure operational access not only to users physically located at the POIC, but also to provide collaborative access to remote experimenters and International Partners. The Payload Information Management System (PIMS) is a ground based electronic document configuration management and workflow system that was built to service that need. Functionally, PIMS provides the following document management related capabilities: 1. File access control, storage and retrieval from a central repository vault. 2. Collect supplemental data about files in the vault. 3. File exchange with a PMS GUI client, or any FTP connection. 4. Files placement into an FTP accessible dropbox for pickup by interfacing facilities, included files transmitted for spacecraft uplink. 5. Transmission of email messages to users notifying them of new version availability. 6. Polling of intermediate facility dropboxes for files that will automatically be processed by PIMS. 7. Provide an API that allows other POIC applications to access PIMS information. Functionally, PIMS provides the following Change Request processing capabilities: 1. Ability to create, view, manipulate, and query information about Operations Change Requests (OCRs). 2. Provides an adaptable workflow approval of OCRs with routing through developers, facility leads, POIC leads, reviewers, and implementers. Email messages can be sent to users either involving them in the workflow process or simply notifying them of OCR approval progress. All PIMS document management and OCR workflow controls are coordinated through and routed to individual user's "to do" list tasks. A user is given a task when it is their turn to perform some action relating to the approval of the Document or OCR. The user's available actions are restricted to only functions available for the assigned task. Certain actions, such as review or action implementation by non-PIMS users, can also be coordinated through automated emails.

Elmore, Ralph↗

NASA NTRS2008

Earth Science Mining Web Services

To allow scientists further capabilities in the area of data mining and web services, the Goddard Earth Sciences Data and Information Services Center (GES DISC) and researchers at the University of Alabama in Huntsville (UAH) have developed a system to mine data at the source without the need of network transfers. The system has been constructed by linking together several pre-existing technologies: the Simple Scalable Script-based Science Processor for Measurements (S4PM), a processing engine at he GES DISC; the Algorithm Development and Mining (ADaM) system, a data mining toolkit from UAH that can be configured in a variety of ways to create customized mining processes; ActiveBPEL, a workflow execution engine based on BPEL (Business Process Execution Language); XBaya, a graphical workflow composer; and the EOS Clearinghouse (ECHO). XBaya is used to construct an analysis workflow at UAH using ADam components, which are also installed remotely at the GES DISC, wrapped as Web Services. The S4PM processing engine searches ECHO for data using space-time criteria, staging them to cache, allowing the ActiveBPEL engine to remotely orchestras the processing workflow within S4PM. As mining is completed, the output is placed in an FTP holding area for the end user. The goals are to give users control over the data they want to process, while mining data at the data source using the server's resources rather than transferring the full volume over the internet. These diverse technologies have been infused into a functioning, distributed system with only minor changes to the underlying technologies. The key to the infusion is the loosely coupled, Web-Services based architecture: All of the participating components are accessible (one way or another) through (Simple Object Access Protocol) SOAP-based Web Services.

Pham, Long↗

NASA NTRS2018

End-to-End Solution for Data Customization with NASA's Earthdata Search

The goal of NASA's Earthdata Search End-to-End Services workflow is to take the pain and headache out of searching for data and getting that data back in a format that is usable with only that data that is relevant for you. For too long scientists have had to jump through endless hoops, use tools that only offer specific data or specific services, and perform any number of other non-science tasks just to get started on their actual project. Earthdata Search leverages the Common Metadata Repository's (CMR) newly implemented Unified Metadata Models for Services and Variables as well as a new service broker to expose and seamlessly integrate a collection's service capabilities and variables into an intuitive user interface. Using the new End-to-End Services workflow, scientists will be able to quickly see what data is available to be customized, what customization options are available, and actually perform those customizations on the data all within Earthdata Search, regardless of who the data provider is. This talk will demonstrate the simple workflow that will be available to end users and also give an overview covering how the workflow is enabled by the metadata stored within the CMR. (https://search.earthdata.nasa.gov/)

Reese, Mark↗

NASA NTRS2019

Geometry Modeling for Unstructured Mesh Adaptation

The quantification and control of discretization error is critical to obtaining reliable simulation results. Adaptive mesh techniques have the potential to automate discretization error control, but have made limited impact on production analysis workflow. Recent progress has matured a number of independent implementations of flow solvers, error estimation methods, and anisotropic mesh adaptation mechanics. However, the poor integration of initial mesh generation and adaptive mesh mechanics to typical sources of geometry has hindered adoption of adaptive mesh techniques, where these geometries are often created in Mechanical Computer- Aided Design (MCAD) systems. The difficulty of this coupling is compounded by two factors: the inherent complexity of the model (e.g., large range of scales, bodies in proximity, details not required for analysis) and unintended geometry construction artifacts (e.g., translation, uneven parameterization, degeneracy, self-intersection, sliver faces, gaps, large tolerances be- tween topological elements, local high curvature to enforce continuity). Manual preparation of geometry is commonly employed to enable fixed-grid and adaptive-grid workflows by reducing the severity and negative impacts of these construction artifacts, but manual process interaction inhibits workflow automation. Techniques to permit the use of complex geometry models and reduce the impact of geometry construction artifacts on unstructured grid workflows are models from the AIAA Sonic Boom and High Lift Prediction are shown to demonstrate the utility of the current approach.

Park, Michael A.↗

NASA NTRSDate not supplied

Data Integrity Challenges in NASA Giovanni

The Geospatial Interactive Online Visualization ANd aNalysis Infrastructure (Giovanni) is an online tool developed by the NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC), one of 12 NASA Science Mission Directorate Data Centers (DAACs) to analyze and visualize NASA remote sensing and model data without downloading data and software. As of this writing, over 2000 Earth satellite and model variables are available in Giovanni, including several well-known NASA satellite missions (e.g., TRMM, GPM) and projects (e.g., MERRA-2, GPCP). There are twenty-two plots provided by Giovanni that can be used to analyze, compare, and explore Earth data across disciplines. Results can be shared with colleagues and downloaded for further analysis. Giovanni has helped publish over 3000 referral papers over the years. As open science policies roll in, data integrity has become a major challenge for Giovanni and other tools. For integrity, both data and workflows must be transparent. FAIR-compliant data, including input, intermediate, and result products, as well as their associated statistics, metadata, and information, are needed. The NASA Data Product Development Guide for Data Producers provides a key resource on how to develop FAIR-compliant data products. Data quality information is also needed from data producers and analysis services like Giovanni. The workflow part is quite challenging and requires workflow management improvements, such as recording workflows and making them available to users. In this presentation, we will discuss the data integrity challenges in Giovanni.

data analysis, visualization↗

DOE OSTI2021

Stepwise Dynamic Calibration of a Hydromechanical Simulation Using Time-Lapse Vertical Seismic Profile

This study aims to develop a methodology for calibrating subsurface stress changes through time-lapse Vertical Seismic Profiling (VSP) integration. The selected study site is the 13-10A injector well within the ongoing CO2-EOR operation of the Farnsworth Field Unit. The Time-lapse VSP dataset carries the combined effects of fluid substitution and mean effective stress changes, thereby providing a dataset amenable for the calibration of production and injection-induced stress changes. The concept is similar to calibrating a reservoir simulation model in that the process honor real field data to set up an inverse problem. The solution optimizes the independent and impactful geomechanical parameters that replicate the observed time-lapse seismic velocity changes. This stress calibration is enabled by 4D geomechanical modeling and the VSP Integration workflow. This calibration benefits from extensive geological, geophysical and geomechanical characterization through 3D seismic data, geophysical well logs, and core assessed as part of the 1D MEM conducted on the 13-10A subject well. These data are used to develop a site-specific rock physics model. The Biot Gassmann workflow combines rock physics and reservoir simulation outputs to determine the fluid substitution contribution to seismic velocity change. Additionally, modeled seismic velocity attributed to mean effective stress are determined from the geomechanical simulation outputs, and the stress-velocity relationship developed from the ultrasonic seismic velocity measurements on the extracted Morrow B core. A penalty function is then formed between the modeled seismic velocities and the observed time-lapse VSP dataset. Four independent and impactful geomechanical parameters have been determined. These are the bulk modulus and shear modulus for zero porosity and the shear and compressional seismic velocity to mean effective stress derivatives. The dataset of numerous coupled hydromechanical- geomechanical simulation realizations is built by combining variations of the four stated geomechanical parameters. A machine learning-assisted workflow comprised of an artificial neural network and a particle swarm optimizer are used to converge on the optimal geomechanical parameters. The successful execution of this workflow has affirmed the suitability of acoustic time-lapse measurements for 4D-VSP geomechanical stress calibration pending measurable stress sensitivities within the anticipated effective stress changes and the availability of suitable and reliable datasets for petroelastic modeling.

02 PETROLEUM↗

DOE OSTI2024

Composable optimization and control toolkit for scientific applications

Applications of Artificial Intelligence (AI) and Machine Learning (ML) can improve the computational efficiency and scientific research output. In order to improve interoperability and reuse of AI/ML software, a composable approach is required. This talk presents a composable approach for scientific workflow development that allows seamless integration of various modules developed by independent researchers. These practices will reduce redundant software development by allowing re-use of workflow modules across projects, teams, departments and facilities. We will present three use cases that follow the composable approach namely, Scientific Optimization and Control Toolkit (SOCT), SciDAC QuantOm workflow, and JLab Nuclear Physics experimental workflows. This talk will dive deeper into SOCT and present the details of the composable code development for optimization and control algorithms using reinforcement learning.

Rajput, Kishansingh↗

DOE OSTI2024

Exploring Geothermal Potential of Great Basin Sub-Regions: Preprint

The INnovative Geothermal Exploration through Novel Investigations Of Undiscovered Systems (INGENIOUS) project aims to discover new, economically viable hidden geothermal systems in the Great Basin region by building on previous work in play fairway analysis and machine learning. A key objective of this project is to develop an exploration workflow to reduce geothermal exploration risks for hidden geothermal systems. A single preliminary play fairway workflow was developed from the assessment of the regional INGENIOUS geological, geophysical, and geochemical datasets. This workflow provided new preliminary predictive geothermal fairway maps for the INGENIOUS study area, which encompasses most of Nevada, western Utah, southern Idaho, southeastern Oregon, and easternmost California. However, a recent study (incorporating machine learning techniques) of a portion of Nevada identified four geologic domains and determined that the relative importance of individual datasets or features as indicators of geothermal potential may differ across these domains. The INGENIOUS study area includes a much larger and more geologically diverse region; therefore, additional geologic domains or sub-regions are expected. To assess the sub-regions in the INGENIOUS study area, principal component analysis and k-means clustering were applied. Preliminary results indicate that the INGENIOUS regional data cluster into groups that relate to different geologic domains in the Great Basin region. These include domains such as the Walker Lane, extensional western Great Basin region, broad lower strain region in the eastern Great Basin of western Utah and eastern Nevada, Quaternary volcanic fields, and the area adjacent to the Snake River Plain. These clusters are assessed to determine the key geologic drivers of the identified clusters. Understanding this variability can provide key insights for the exploration and characterization of hidden geothermal systems in the Great Basin region and could indicate the need to develop multiple geothermal conceptual models and play fairway workflows for the INGENIOUS study area.

GEOTHERMAL ENERGY↗

DOE OSTI2025

Exploring Geothermal Potential of Great Basin Sub-Regions

exploration↗

DOE OSTI2025

Multi-agent AI collaboration for digital twin development and assessment

Developing a digital twin (DT) model involves different steps that encompass formulating requirements, model development, implementation, and assessment with respect to real applications. Human expertise is required to coordinate and implement different steps in the DT development and assessment process. However, certain parts of this process can be automated using artificial intelligence (AI) agents for efficient workflow development. In this work, we test and analyze a multiagent AI collaboration with humans in the loop to automate different elements of the DT development and assessment process. To implement the workflow for multiagent AI DT development and assessment, we use Autogen, a multiagent framework developed by Microsoft. Autogen offers a modular and flexible framework for configuring and designing task-specific multiagent workflows. In this framework, large language models (LLMs) form the core intelligence of the AI agents where the quality and performance of the automated element is governed by the inherent capabilities and knowledge base of the LLM. We use retrieval augmented generation to supplement the LLM with relevant domain-specific information for DT requirement formulation. We illustrate this multiagent workflow using a case study on a thermal energy storage system, focusing on how AI agents can collaborate with humans to expedite and optimize different elements of DT development and assessment process.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

High-Throughput Data Processing at FRIB Using ESnet

Real-time or nearly real-time (nearline) data processing methods are critical tools as detector technologies and data acquisition (DAQ) systems allow for higher data rates and volumes. The introduction of the energy sciences network (ESnet), a U.S. Department of Energy (DOE) supported high-speed network for scientific research, creates opportunities to leverage the computing power of DOE facilities like the National Energy Research Scientific Computing Center (NERSC). As a first step toward realizing a DOE Office of Science Integrated Research Infrastructure (IRI) pattern, an automated workflow was developed to remotely process data obtained from a nuclear physics experiment at the Facility for Rare Isotope Beams (FRIB) at NERSC with data transferred between FRIB and NERSC over ESnet. The workflow demonstrated the ability to process one week’s worth of experimental data in approximately 90 min and was used successfully for nearline analysis during a recently completed FRIB experiment. Here, a summary of the workflow development and results of recent demonstrations will be presented.

Data processing↗

DOE OSTI2021

Cinema:Snap: Real-time tools for analysis of dynamic diamond anvil cell experiment data

We report we developed tools and a workflow for real-time analysis of data from dynamic diamond anvil cell experiments performed at user light sources. These tools allow users to determine the phases of matter observed during the compression of materials in order to make decisions during an experiment to improve the quality of experimental results and maximize the use of scarce experimental facility time. The tools fill a gap in dynamic compression data analysis tools that are real-time, are flexible to the needs of high-pressure scientists, connect to automated processing of results, can be easily incorporated into workflows with existing tools and data formats, and support remote experimental data analysis workflows. Specific analytics developed include novel automated two-peak analysis for overlapping peaks and multiple phases, coordinated views of pressure and temperature values, full-compression contour plots, and configurable views of integrated x-ray diffraction. We present an experimental use case to show how the tools produce real-time analytics that help the scientists revise parameters for the next compression

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Proceedings for the Workshop on Applied Nuclear Data Activities 2025

The 2025 Workshop for Applied Nuclear Data Activities (WANDA) covered four topic areas in nuclear data: Nuclear Data and Deterrence, Nuclear Data Prioritization for Fusion, High-Assay Low-Enriched Uranium and Novel Moderators for Advanced Reactors, and Data Preservation and Data Workflows. The intention of this workshop is to connect different communities that are invested in nuclear data and have their own unique sets of needs for the purposes of sharing information, fostering collaboration in areas of shared interest, and leveraging synergistic capabilities. The attendance of federal program managers at these workshops is essential in creating awareness of the needs of their respective communities and in providing information to better guide funding investments. In each of these topical sessions, a general description of the nuclear data needs and/or capabilities was presented, along with discussions of existing capabilities that could be leveraged, potential synergistic needs or resources, and challenges that must be overcome for the application space to progress. There are many synergistic nuclear data needs among these application spaces. The discussion largely focused on increasing the accuracy of the nuclear data and better quantifying the data uncertainties that have the greatest impact on applications. The full-day session on data processing and data workflows was by nature intended to be synergistic and applicable to all technical sessions at WANDA. A notable common theme that was highlighted across all sessions was the need for accelerated delivery of nuclear data products across complex and time-consuming workflows.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗