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DOE OSTI2025

VA EDH Advanced Software Pipeline Framework Report: Enhancing Automation and Scalability

The VA Environmental Determinants of Health (EDH) Advanced Software Pipeline Framework is designed to enhance the efficiency, scalability, and security of geospatial data processing workflows. This framework integrates modern data orchestration and containerization technologies, including Prefect for workflow automation, Docker for containerization, and PostgreSQL/PostGIS for geospatial data storage and analysis. It ensures standardized, reproducible, and automated data processing, supporting VA objectives related to substance use risk assessment and recovery research. The pipeline addresses key scalability and performance challenges through horizontal and vertical scaling, high-performance computing (HPC) integration, parallel processing, task caching, and dynamic resource allocation. These optimizations improve throughput and reduce latency, allowing the system to efficiently manage large and complex datasets. Additionally, security and compliance measures—such as data encryption (SSL), Role-Based Access Control (RBAC), and adherence to GDPR and HIPAA standards—safeguard sensitive information throughout data transmission and storage. A key implementation of this framework includes the automation of shelter list geolocation workflows, ensuring that up-to-date data is readily available for VA decision-making. Lessons learned from this project include the transition from in-memory processing to incremental storage writes, improving resource management and reliability. Future enhancements aim to expand automation, integrate AI-driven anomaly detection, and incorporate high-performance computing resources. This framework provides a scalable, secure, and adaptable solution for managing geospatial datasets, reinforcing the VA’s ability to support clinical and strategic initiatives through data-driven decision-making.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Optimization of edge bead removal (EBR) process to enhance defect reduction in optical lithography

Defect reduction remains a critical objective in the integrated circuit manufacturing process, particularly within the highly re-entrant lithography modules where minimizing defects is crucial. Defects at the wafer edge can contaminate lithography modules and downstream processing equipment, leading to redistribution onto the wafer surface and adversely affecting overall device yield. A persistent challenge in the resist coating process is the formation of resist edge beads, driven by the strong Van der Waals attraction of excess photoresist (PR) to itself and the underlying substrate. The edge bead removal (EBR) process is a standard cleaning step designed to eliminate these edge beads and prevent potential contamination. Here, in this study, we identify the sources of EBR induced defects and additional EBR process encroachment toward edge patterning during the EBR cleaning process. This study provides a comprehensive study aimed at optimizing the EBR cleaning process to effectively eliminate EBR-induced defects, thereby enhancing overall device yield. Specifically, we identify three primary defects induced by the EBR cleaning process: rainbow-type, finger-shaped, and teardrop-type defects. Our experimental study reveals that in addition to EBR rinse time, PR cast time is crucial parameters contributing to the formation of these defects. By properly optimizing the PR cast time and EBR rinse time, we were able to remove nearly 100 % of dense clusters of defects that were easily visible even at low magnification optical microscopy throughout the wafer edge. We observed that shorter PR casting times shows edge defects caused by inefficient EBR process because of insufficient time for PR to fully settle causing superfluous PR to continue flowing toward wafer edge during EBR clearing step, leading to partial removal of PR at the wafer edge and the formation of rainbow defects. Proper optimization of both PR casting time and EBR chemistries dispense time is essential to resolve these defects, ensuring efficient EBR cleaning process and improved overall device yield.

42 ENGINEERING↗

NASA NTRS1998

A Web-Based Monitoring System for Multidisciplinary Design Projects

In today's competitive environment, both industry and government agencies are under pressure to reduce the time and cost of multidisciplinary design projects. New tools have been introduced to assist in this process by facilitating the integration of and communication among diverse disciplinary codes. One such tool, a framework for multidisciplinary computational environments, is defined as a hardware and software architecture that enables integration, execution, and communication among diverse disciplinary processes. An examination of current frameworks reveals weaknesses in various areas, such as sequencing, displaying, monitoring, and controlling the design process. The objective of this research is to explore how Web technology, integrated with an existing framework, can improve these areas of weakness. This paper describes a Web-based system that optimizes and controls the execution sequence of design processes; and monitors the project status and results. The three-stage evolution of the system with increasingly complex problems demonstrates the feasibility of this approach.

Rogers, James L.↗

DOE OSTI2014

Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing in JBluIce beamline control system

The calculation of single- and multi-crystal data collection strategies and a data processing pipeline have been tightly integrated into the macromolecular crystallographic data acquisition and beamline control software JBluIce . Both tasks employ wrapper scripts around existing crystallographic software. JBluIce executes scripts through a distributed resource management system to make efficient use of all available computing resources through parallel processing. The JBluIce single-crystal data collection strategy feature uses a choice of strategy programs to help users rank sample crystals and collect data. The strategy results can be conveniently exported to a data collection run. The JBluIce multi-crystal strategy feature calculates a collection strategy to optimize coverage of reciprocal space in cases where incomplete data are available from previous samples. The JBluIce data processing runs simultaneously with data collection using a choice of data reduction wrappers for integration and scaling of newly collected data, with an option for merging with pre-existing data. Data are processed separately if collected from multiple sites on a crystal or from multiple crystals, then scaled and merged. Results from all strategy and processing calculations are displayed in relevant tabs of JBluIce .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Metal 3D Printing of Low-NOX Fuel Injectors with Integrated Temperature Sensors (Final Technical Report)

This technical report presents the exploration of design and prototyping of an Oxy-fuel injector with integrated temperature sensing capabilities using Additive Manufacturing (AM) technology. The AM process has proven itself as a viable method to fabricate complex shapes for custom-designed metallic components rapidly. The lack of assembly requirements and the virtually unlimited geometrical complexity renders the AM process particularly attractive for fabricating complex energy system components. The unique layer-by-layer fabrication technique allows the embedding of sensors within complex components early in the design process. Sensors can be embedded (without post-production component modifications) in AM-fabricated components through two distinct processes: Stop and Go or Post-Integration. The Stop and Go fabrication process allows sensor placement within a cavity during fabrication; where the process is allowed to continue upon sensor placement. Post-integration process supports selective build of customized compartments for sensors within the part. The Stop and Go process requires an extremely accurate re-alignment of the powder-bed during the restart process. Additionally, metallization and shorting of sensors due to a considerably high temperature of the AM process creates significant fabrication challenges and limit the types of sensors that can be embedded. The Post-Integration of sensors is a practical alternative for components that can be effectively designed and fabricated with pre-built complex sensor compartments without the need for post-production component modifications. The proposed effort aimed at exploring the fabrication of an oxy-fuel injector designed for high-pressure Oxy-Combustion applications (Combustor for Directly Heated Supercritical Power Cycle) with integrated temperature measurement capabilities using the AM technique. Since the current design methodology of injectors is based on conventional fabrication techniques (e.g., multi-step machining and welding processes), a new paradigm of design methodology needs to be developed for their adaptation in the AM fabrication process. One of the most challenging issues addressed in powder bed fusion is the removal of powder from internal channels/cavities as the powder to be removed has been lightly sintered during the fabrication process. In this research, a major task has been assigned to developing and evaluating powder removal techniques that will ultimately be used when removing sintered powder from cavities/channels used for sensor placement. Achieving thorough powder removal will permit the incorporation of intricate cavities, integrated fasteners, or other novel features to incorporate sensors into parts directly post-fabrication – allowing for the novel, AM-based design practices to be developed and employ for sensor integration. The designed injector was initially tested at atmospheric conditions to review its successful operation. The tests were carried out for different firing inputs; with a minimum of 55 kW and a maximum of 275 kW. Later tests were carried out for pressurized conditions between 82 kW to 275 kW firing input. A pressure of 16.35bar was observed in the combustion chamber pressure during the pressurized test of 275 kW firing input; test duration was 15 seconds. Integrated thermocouples within the injector provided temperature data for test operations. The data revealed during the atmospheric condition the injector temperature is almost unaffected by the combustion. However, during the pressurized condition, the injector temperature rapidly up to 205°C within 15 seconds; at a 275 kW firing input.

42 ENGINEERING↗

DOE OSTI2015

Integrated Glass Coating Manufacturing Line

This project aims to enable US module manufacturers to coat glass with Enki’s state of the art tunable functionalized AR coatings at the lowest possible cost and highest possible performance by encapsulating Enki’s coating process in an integrated tool that facilitates effective process improvement through metrology and data analysis for greater quality and performance while reducing footprint, operating and capital costs. The Phase 1 objective was a fully designed manufacturing line, including fully specified equipment ready for issue of purchase requisitions; a detailed economic justification based on market prices at the end of Phase 1 and projected manufacturing costs and a detailed deployment plan for the equipment.

14 SOLAR ENERGY↗

NASA NTRS2006

The Glory Program: Global Science from a Unique Spacecraft Integration

The Glory program is an Earth and Solar science mission designed to broaden science community knowledge of the environment. The causes and effects of global warming have become a concern in recent years and Glory aims to contribute to the knowledge base of the science community. Glory is designed for two functions: one is solar viewing to monitor the total solar irradiance and the other is observing the Earth s atmosphere for aerosol composition. The former is done with an active cavity radiometer, while the latter is accomplished with an aerosol polarimeter sensor to discern atmospheric particles. The Glory program is managed by NASA Goddard Space Flight Center (GSFC) with Orbital Sciences in Dulles, VA as the prime contractor for the spacecraft bus, mission operations, and ground system. This paper will describe some of the more unique features of the Glory program including the integration and testing of the satellite and instruments as well as the science data processing. The spacecraft integration and test approach requires extensive analysis and additional planning to ensure existing components are successfully functioning with the new Glory components. The science mission data analysis requires development of mission unique processing systems and algorithms. Science data analysis and distribution will utilize our national assets at the Goddard Institute for Space Studies (GISS) and the University of Colorado's Laboratory for Atmospheric and Space Physics (LASP). The Satellite was originally designed and built for the Vegetation Canopy Lidar (VCL) mission, which was terminated in the middle of integration and testing due to payload development issues. The bus was then placed in secure storage in 2001 and removed from an environmentally controlled container in late 2003 to be refurbished to meet the Glory program requirements. Functional testing of all the components was done as a system at the start of the program, very different from a traditional program. The plan for Glory is to minimize any changes to the spacecraft in order to meet the Glory requirements. This means that the instrument designs must adhere to the existing interfaces and capabilities as much as possible. Given Glory's unique history and the potential science return, the program is one of significant value to both the science community and the world. The findings Glory promises will improve our understanding of the drivers for global climate change for a minimal investment. The program hopes to show that reuse of existing government assets can result in a lower cost, and fully successful mission.

Bajpayee Jaya↗

DOE OSTI2025

Ecological connectivity and in-kind mitigation in a regulatory decision framework: A case study with an amphibian habitat specialist

Ecological connectivity is critical to the survival and long-term viability of populations but is often overlooked in regulatory frameworks. We integrated landscape-level processes into a mitigation strategy for impacts to aquatic resources on the U.S. Department of Energy (DOE) Oak Ridge Reservation (ORR) in eastern Tennessee. Wetlands on the ORR, which contain significant breeding populations of the imperiled four-toed salamander (Hemidactylium scutatum) and tubercled rein orchid (Platanthera flava var. herbiola), will be impacted by construction of an environmental waste disposal facility under the Comprehensive Environmental Response, Compensation, and Liability Act of 1980 (CERCLA). Here, we used a modified Kepner-Tregoe decision analysis to select general mitigation options that balanced regulatory requirements and interest group perspectives. We emphasized habitat connectivity through models that prioritized an area's importance to natural area connectivity (centrality) and maintenance of population structure for an affected habitat specialist (four-toed salamanders). We also emphasized in-kind mitigation through the preservation and enhancement of ecologically similar resources and the translocation and establishment of a new subpopulation of four-toed salamanders elsewhere on the ORR. We ultimately released over 500 juvenile salamanders that originated from the impacted site into the chosen mitigation wetlands. By doing so under the constraints of a time-sensitive CERCLA remediation effort and exceeding its substantive requirements, this work underscores feasibility. Ecological connectivity and the conservation of species that are not afforded explicit regulatory processes can be effectively and efficiently integrated into environmental decision-making and land use planning.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

An integrated microbial electrolysis-anaerobic digestion process combined with pretreatment of wastewater solids to improve hydrogen production

A combined anaerobic digestion (AD) and microbial electrolysis cell (MEC) system, named here as ADMEC, was investigated in this paper to evaluate the energy recovery from pretreated wastewater solids. Alkaline and thermal hydrolysis pretreatment methods increased the solubility of organic compounds present in the raw solids by 25% and 20%, respectively. The soluble phase from pretreatment was separated and used for microbial electrolysis, whereas the insoluble fraction was fed into semi-continuous digesters. The digester effluent was later utilized as a second MEC substrate. The pretreatment had variable effects on AD and MEC performance. The methane content in AD biogas was higher in pretreated groups, 78.29 ± 2.89% and 73.2 ± 1.79%, for alkaline and thermal, than the control, 50.26 ± 0.53%, but the overall biogas production rates were lower than the control, 20 and 30 mL CH 4 gCOD -1 d -1 for alkaline and thermal compared to 80 mL CH 4 gCOD -1 d -1 . The effluent streams from thermally pretreated digesters were the best substrate for microbial electrolysis, in terms of hydrogen production and efficiency. The MECs produced 1.7 ± 0.2 L-H 2 per L per day, 0.3 ± 0.1 L-H 2 per L per day, and 0.29 ± 0.1 L-H 2 per L per day, for thermal, alkaline, and control reactors. The productivity was lower compared to acetate and propionate controls, which yielded 5.79 ± 0.03 L-H 2 per L per day and 3.49 ± 0.10 L-H 2 per L per day, respectively. The pretreatment solubilized fractions were not ideal substrates for microbial electrolysis. Finally, a chemical oxygen demand (COD) mass balance showed that pretreatment shifts the electron flux away from methane and biomass sinks towards hydrogen production.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Opportunities and Challenges in Metal Forming for Lightweighting: Review and Future Work

Abstract The purposes of this review are to summarize the historical progress in the last 60 years of lightweight metal forming, to analyze the state-of-the-art, and to identify future directions in the context of Cyber-physically enabled circular economy. In honoring the 100th anniversary of the establishment of the Manufacturing Engineering Division of ASME, this review paper first provides the impact of the metal forming sector on the economy and historical perspectives of metal forming research work published by the ASME Journal of Manufacturing Science and Engineering, followed by the motivations and trends in lightweighting. To achieve lightweighting, one needs to systematically consider: (1) materials and material characterization; (2) innovative forming processes; and (3) simulation tools for integrated part design and process design. A new approach for process innovation, i.e., the Performance-Constraints-Mechanism-Innovation (PCMI) framework, is proposed to systematically seek new processes. Finally, trends and challenges for the further development in circular economy are presented for future exploration.

Engineering↗

DOE OSTI2026

Electrically tunable nonlinear light generation in plasmonic tunnel junctions

Active and efficient control of nonlinear optical processes is essential for integrated photonics, with applications in signal processing, ultrafast switching, and quantum light manipulation. While nanophotonic structures are powerful for enhancing nonlinearities, achieving wide-range electrical tunability has remained a challenge. Plasmonic tunnel junctions offer a unique path to bridge this gap because they combine extreme optical field confinement with direct electrical control in a single nanoscale device. Here, we report the first, to our knowledge, demonstration of electrically tunable second-harmonic generation (SHG) in plasmonic tunnel junctions. Using ultra-stable epitaxial heterostructures, we achieve reproducible modulation of SHG with depths up to ∼500% and magnitudes above 1.3V −1 . We identify two mechanisms, electric-field-induced SHG (EFISH) and ion migration, that can either compete or cooperate depending on junction thickness and bias, enabling both broad tunability and ferroelectric-like hysteretic switching. These findings establish plasmonic tunnel junctions as a platform for electrically controlled nonlinear optics, with potential for nanoscale light sources, reconfigurable modulators, and neuromorphic photonic devices..

42 ENGINEERING↗

DOE OSTI2016

A New Approach to Charged Particle Slowing Down and Dispersion

The process by which super-thermal ions slow down against background Coulomb potentials arises in many fields of study. In particular, this is one of the main mechanisms by which the mass and energy from the reaction products of fusion reactions is deposited back into the background. Many of these fields are characterized by length and time scales that are the same magnitude as the range and duration of the trajectory of these particles, before they thermalize into the background. This requires numerical simulation of this slowing down process through numerically integrating the velocities and energies of these particles. This paper first presents a simple introduction to the required plasma physics, followed by the description of the numerical integration used to integrate a beam of particles. This algorithm is unique in that it combines in an integrated manner both a second-order integration of the slowing down with the particle beam dispersion. These two processes are typically computed in isolation from each other. A simple test problem of a beam of alpha particles slowing down against an inert background of deuterium and tritium with varying properties of both the beam and the background illustrate the utility of the algorithm. This is followed by conclusions and appendices. The appendices define the notation, units, and several useful identities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Radiological Survey and Release Report for 9404-17 & 9404-18

The data quality objective (DQO) process and a graded approach are integrated within the MARSSIM process and within the plan to assure defensible data with cost effectiveness. Surveys were performed by trained Radiological Control Technicians (RCTs) following standard, written procedures and using properly calibrated instruments, sensitive to the potential contaminants. Instrumentation identification and the name of the technicians performing the survey can be found in the referenced radiological surveys.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Merged Observatory Data Files (MODFs): an integrated observational data product supporting process-oriented investigations and diagnostics

A large and ever-growing body of geophysical information is measured in campaigns and at specialized observatories as a part of scientific expeditions and experiments. These collections of observed data include many essential climate variables (as defined by the Global Climate Observing System) but are often distinguished by a wide range of additional non-routine measurements that are designed to not only document the state of the environment but also the drivers that contribute to that state. These field data are used not only to further understand environmental processes through observation-based studies but also to provide baseline data to test model performance and to codify understanding to improve predictive capabilities. To address the considerable barriers and difficulty in utilizing these diverse and complex data for observation–model research, the Merged Observatory Data File (MODF) concept has been developed. A MODF combines measurements from multiple instruments into a single file that complies with well-established data format and metadata practices and has been designed to parallel the development of corresponding Merged Model Data Files (MMDFs). Using the MODF and MMDF protocols will facilitate the evolution of model intercomparison projects into model intercomparison and improvement projects by putting observation and model data “on the same page” in a timely manner. The MODF concept was developed especially for weather forecast model studies in the Arctic. The surprisingly complex process of implementing MODFs in that context refined the concept itself. Thus, this article explains the concept of MODFs by providing details on the issues that were revealed and resolved during that first specific implementation. Detailed instructions are provided on how to make MODFs, and this article can be considered a MODF creation manual.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1987

Integration of communications and tracking data processing simulation for space station

A simplified model of the communications network for the Communications and Tracking Data Processing System (CTDP) was developed. It was simulated by use of programs running on several on-site computers. These programs communicate with one another by means of both local area networks and direct serial connections. The domain of the model and its simulation is from Orbital Replaceable Unit (ORU) interface to Data Management Systems (DMS). The simulation was designed to allow status queries from remote entities across the DMS networks to be propagated through the model to several simulated ORU's. The ORU response is then propagated back to the remote entity which originated the request. Response times at the various levels were investigated in a multi-tasking, multi-user operating system environment. Results indicate that the effective bandwidth of the system may be too low to support expected data volume requirements under conventional operating systems. Instead, some form of embedded process control program may be required on the node computers.

Lacovara, Robert C.↗

NASA NTRS1987

Integration of multi-discipline data processing for earth observing systems

The first steps taken to ensure the controlled evolution of existing facilities toward greater interoperability and sharing of resources among NASA-supported earth science and applications data systems (ESADS) are described. Recommendations made by the various panels during the 1987 ESADS Workshop are presented. The panels were concerned with directories and catalogs, data archives, data manipulation software, computational facilities, data storage media, database management, and networking. Consideration was also given to the tracking and tuning of overall development and management coordination issues.

Kahn, Ralph↗

NASA NTRS1987

A new simulation model building process for use in dynamic systems integration research

A framework to build simulation models for aircraft dynamic systems integration is described. The objective of the framework is increased simulation model fidelity and reduced time required to develop and modify these models. The equations of motion for an elastic aircraft and their impact on the framework are discussed in broad terms. A software tool which automatically generates FORTRAN routines for tabular data lookups, the language used to develop a simulation model, and the structures for passing information into a simulation are discussed. A simulation variable nomenclature is presented. The framework has been applied to build an open-loop F/A-18 simulation model. This example model is used to illustrate model reduction issues. Current deficiencies in the framework are identified as areas for future research.

Arbuckle, P. Douglas↗

NASA NTRS1988

IDEAL: A methology for developing information systems

As a result of improved capabilities obtained through current computer technologies, application programs and expert systems, Enterprises are being designed or upgraded to be highly integrated and automated information systems. To design or modify Enterprises, it is necessary to first define what functions are to be performed within the Enterprise, identify which functions are potential candidates for automation, and what automated or expert systems are available, or must be developed, to accomplish the selected function. Second, it is necessary to define and analyze the informational requirements for each function along with the informational relationships among the functions so that a database structure can be established to support the Enterprise. To perform this type of system design, an integrated set of analysis tools is required to support the information analysis process. The IDEAL (Integrated Design and Engineering Analysis Languages) methodology provides this integrated set of tools and is discussed.

Evers, Ken H.↗