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DOE OSTI2022

Synthetic Data Generation Using Machine Learning

Robust machine learning techniques for image analysis require a substantial amount of data to yield confident results. In the nuclear domain, data scarcity is a substantial challenge because there are so few facilities worldwide. This research focuses on being able alleviate the data scarcity problem by generating synthetic data to bridge the gap between large and small datasets. This work achieves that goal using a Generative Adversarial Network (GAN) architectural approach, by training a model on real-world data and expands that small dataset through synthetic data amendments. Model performance is impacted by the size of the real-world dataset and the number of training epochs utilized. This means that 1) It is important to develop your GAN to be optimized with the specific data type, and 2) approaches taken when training the GAN should be specialized to encompass important aspects of the dataset that it is generating. By taking a step to improve dataset sizes in this way, the gap between models trained by parties with significant amount of data and those without access to large data, closes, allowing for robust analyses of satellite imagery for nuclear domain applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Large Language Models (LLMs) for Energy Systems Research

The integration of Large Language Models (LLMs) in energy systems research promises transformative results, as demonstrated in this work, particularly in the realms of information retrieval and legal document analysis. We have developed a chat-based interface, specifically designed to query an extensive corpus of technical reports from the National Renewable Energy Laboratory (NREL). This interface capitalizes on the natural language processing capabilities of LLMs, providing future consumers of NREL research with a user-friendly platform to access and extract valuable information from technical documents, thus enhancing the dissemination of research to the public. In addition to information retrieval, we have employed LLMs to extract renewable energy siting ordinances from a variety of legal documents, a task traditionally driven by significant human labor. This automated extraction not only supports the ongoing development of the high-impact NREL siting ordinance database but also ensures the database's accuracy and comprehensiveness. Crucially, we have augmented the performance of LLMs through the integration of a decision tree framework, resulting in a substantial improvement in extraction accuracy. Comparative analysis with manual efforts has shown that this approach not only rivals but also significantly surpasses human accuracy, heralding increased reliability in legal document analysis for energy systems research. To democratize access to these advancements and foster collaborative research, we introduce the "Energy Language Model" (ELM), an open-source software package. ELM encapsulates the methodologies and tools developed in this work, providing researchers and practitioners with a robust toolkit to conduct similar analyses within their respective domains. Through these contributions, this work underscores the immense potential of LLMs in revolutionizing energy systems research, improving accuracy, efficiency, and accessibility in the field.

automation↗

DOE OSTI2023

Using Geophysical Information to Investigate Subsurface Structure within the High-Hydraulic Conductivity Analysis Zone

Within the 200 East Area of the Central Plateau and southeastward toward the Columbia River, a high-hydraulic conductivity zone (HCZ) has been interpreted to extend through the 200-PO-1 and 200-BP-5 operable units on the Hanford Site. The HCZ is a controlling hydraulic feature that impacts groundwater flow out of the 200 East Area and the fate of eastwardly migrating plumes from the 200 West Area. The lateral extent of the HCZ is highly uncertain, and despite strong evidence for the existence of the HCZ based on water-level data and contaminant plume tracking, there is still a limited understanding of how to define its boundaries. To provide additional information on the nature and extent of the HCZ, three surface geophysical methods – electrical resistivity tomography (ERT), time-domain electromagnetics (TEM), and seismic methods – were used to collect data south of 200 East. In addition, existing data from 200 East, consisting of surface seismic data, a borehole check shot survey in 699-37-47A, and borehole stratigraphic interpretations, were used to aid interpretations of newly collected seismic data south of 200 East. This work presumed that the contrast in subsurface geophysical properties would be a first-order aid identifying a transmissive zone(s) within the HCZ analysis area by imaging contrasts and/or anomalies in geophysical properties. While seismic, ERT, and TEM methods have sensitivity to overlapping physical properties (porosity, moisture content, lithology), the resolution and physics used to acquire each of these datasets are different, and therefore the information can also be different. Figure S.1 shows the locations of the geophysical data considered in this report.

58 GEOSCIENCES↗

DOE OSTI2023

Natural Language Processing for Text Based Event Extraction: Identifying Events of Interest Related to Worldwide State-Sponsored Civil Nuclear Power

Beginning in FY20, SRNL was funded by the National Nuclear Security Administration’s Office of Defense Nuclear Non-Proliferation Research and Development to develop a prototype natural language processing/natural language understating machine learning-based modeling and analysis pipeline to extract and forecast events of interest from massive open data sources. The working hypothesis within the approach is that contextual shifts in key words and phrases act as indicators of events of interest over time. Therefore, by identifying points in time where contextual shifts occur, events of interest can be extracted along with explicit and implicit connections of entities and activities. The development of the preliminary prototype pipeline proved successful, meriting further testing of the pipeline on more broad topical domains and in a worldwide data environment. Therefore, SRNL, in collaboration with the Sanghani Center for Artificial Intelligence and Data Analytics at Virginia Tech, have continued development with a test case of identifying events of interest related to worldwide state-sponsored civil nuclear power in open data sources. In the first year of this follow-on effort, the team has curated domain-specific data corpuses using an automated scheme and applied the modeling and analysis pipeline. This robust, focused, and efficient approach consists of an ensemble of analyses applied to time dependent word embedding models that are trained on the data corpuses. In this report, the team has demonstrated the capability of the existing pipeline (as development has continued in parallel) by exploring several specific case-studies centered around Rosatom’s international activities regarding the planning, construction, operation, and/or shutdown of nuclear reactors. A basic timeline events has been generated by manually cataloging known “milestone” events that have occurred at reactors in Turkey, Finland, Hungary, and Egypt and compared with the output of the modeling pipeline. In this approach, the team has characterized the lead time using the prototype pipeline, as well as the ability to capture relevant information, which proved 100% successful. A deep dive example of the Akkuyu reactor (Turkey) is presented that shows the breadth of information that can be captured using the approach. In this case study, events were extracted pertaining to the planning/construction of Akkuyu including protests from the population, information campaigns in response to the protests, forged regulatory documents and lawsuits, budgetary/shareholder information, geopolitical tensions, and the various construction milestones. This has demonstrated the pipeline’s utility as a research aid or real-time event extraction tool, where summary-level information and detailed text extractions from millions of articles or Tweets across long time periods can be generated with significantly less effort than current techniques.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Coupling of CTF and RELAP5-3D Within an Enhanced Fidelity Nuclear Power Plant Simulator

A robust and accurate multiphysics engineering simulator is being developed to model the core behavior and system response of pressurized water reactors. This simulator relies on the NESTLE and CTF computer codes to model the neutronics and thermal hydraulics (TH), respectively, inside the core on a nodal scale and on the Reactor Excursion and Leak Analysis Program—Three Dimensional (RELAP5-3D) to model the entire nuclear steam supply system. The RELAP5-3D model includes highly detailed nodalization and multidimensional flow modeling throughout the vessel. Previously, pin-resolved data generated via the Virtual Environment for Reactor Analysis core simulator were used to improve the accuracy of the NESTLE core predictions. The engineering simulator being developed as part of this work uses the 3KEYMASTER platform to couple the enhanced NESTLE model to a nodal-fidelity CTF model to balance run time with accuracy; NESTLE provides node-dependent powers to CTF, and CTF provides node-dependent coolant densities and fuel temperatures to NESTLE.An overlapping domain approach is used for the core TH in which RELAP5-3D provides core boundary conditions based on the system response and CTF provides a node-dependent coolant heating rate to the RELAP5-3D core solution. In the preliminary TH demonstration discussed in this paper, CTF and RELAP5-3D provided similar steady-state core predictions, indicating the hydraulic compatibility between the codes, as well as reasonable and expected behavior under hypothetical transient conditions. This provides an initial step in ongoing efforts toward a robust, multiscale TH/neutronics engineering simulator capability.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2000

Airbreathing Propulsion System Analysis Using Multithreaded Parallel Processing

In this paper, parallel processing is used to analyze the mixing, and combustion behavior of hypersonic flow. Preliminary work for a sonic transverse hydrogen jet injected from a slot into a Mach 4 airstream in a two-dimensional duct combustor has been completed [Moon and Chung, 1996]. Our aim is to extend this work to three-dimensional domain using multithreaded domain decomposition parallel processing based on the flowfield-dependent variation theory. Numerical simulations of chemically reacting flows are difficult because of the strong interactions between the turbulent hydrodynamic and chemical processes. The algorithm must provide an accurate representation of the flowfield, since unphysical flowfield calculations will lead to the faulty loss or creation of species mass fraction, or even premature ignition, which in turn alters the flowfield information. Another difficulty arises from the disparity in time scales between the flowfield and chemical reactions, which may require the use of finite rate chemistry. The situations are more complex when there is a disparity in length scales involved in turbulence. In order to cope with these complicated physical phenomena, it is our plan to utilize the flowfield-dependent variation theory mentioned above, facilitated by large eddy simulation. Undoubtedly, the proposed computation requires the most sophisticated computational strategies. The multithreaded domain decomposition parallel processing will be necessary in order to reduce both computational time and storage. Without special treatments involved in computer engineering, our attempt to analyze the airbreathing combustion appears to be difficult, if not impossible.

Schunk, Richard Gregory↗

DOE OSTI2021

Helium Ion Microscopy with Secondary Ion Mass Spectrometry for Nanoscale Chemical Imaging and Analysis of Polyolefins

To date, chemical imaging of polymers and polymer blends has been primarily accomplished using time-of-flight secondary ion mass spectrometry (ToF-SIMS) to directly visualize the distribution of components in a complex material with spatial resolution ranging from 100 nm to 5 μm. However, in many cases, this resolution falls far short of visualizing interfaces directly. To overcome these limitations, recent work has focused on developing a SIMS detection system based on a helium ion microscope (HIM) enabling chemical imaging with a demonstrated ~14 nm spatial resolution. Here, we utilize HIM-SIMS for differentiation between the olefin-based polymers of polyethylene (PE) and polypropylene (PP). We illustrate both analyses for separating PE and PP using specific mass fragment ratios as well as demonstrate spatially resolved imaging of phase-separated domains within PE. Altogether, we demonstrate the abilities of HIM-SIMS as a multimodal chemical technique for imaging and quantification of polyolefin interfaces, which could be more broadly applied to the analysis of more complex polymeric systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE

The lar operon in Lactobacillus plantarum encodes five Lar proteins (LarA/B/C/D/E) that collaboratively synthesize and incorporate a niacin-derived Ni-containing cofactor into LarA, an Ni-dependent lactate racemase. Previous studies have established that two molecules of LarE catalyze successive thiolation reactions by donating the sulfur atom of their exclusive cysteine residues to the substrate. Here, the catalytic mechanism of this very unusual sulfur-sacrificing reaction remains elusive. In this work, we present the crystal structures of LarE in ligand-free and several ligand-bound forms, demonstrating that LarE is a member of the N-type ATP pyrophosphatase (PPase) family with a conserved N-terminal ATP PPase domain and a unique C-terminal domain harboring the putative catalytic site. Structural analysis, combined with structure-guided mutagenesis, leads us to propose a catalytic mechanism that establishes LarE as a paradigm for sulfur transfer through sacrificing its catalytic cysteine residue.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Algebraic Multigrid Solvers for Coupled PDE Systems (Final Report – B619169)

The Pennsylvania State University (“Subcontractor”) worked on the design of multigrid solvers for coupled systems of partial differential equations arising in numerical modeling of various applications, with a main emphasis on the design of new optimal algebraic multigrid interpolation. Generally, the aim of this work was to develop geometric and algebraic multilevel solvers that are robust and lend themselves to efficient implementation on massively parallel heterogeneous computers. The research in these areas built on previous works, focusing on the following topics: (1) design and analysis of algebraic coarsening algorithms for coupled PDE systems including Stokes equation, Maxwell equation and linear elasticity; (2) development of non-Galerkin coarsening techniques for the Wilson Dirac system; and (3) the use of this same Wilson MG solver for preconditioning the Overlap and Domain Wall formulations of the Dirac equation.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2010

Risk-Informed Decision Making: Application to Technology Development Alternative Selection

NASA NPR 8000.4A, Agency Risk Management Procedural Requirements, defines risk management in terms of two complementary processes: Risk-informed Decision Making (RIDM) and Continuous Risk Management (CRM). The RIDM process is used to inform decision making by emphasizing proper use of risk analysis to make decisions that impact all mission execution domains (e.g., safety, technical, cost, and schedule) for program/projects and mission support organizations. The RIDM process supports the selection of an alternative prior to program commitment. The CRM process is used to manage risk associated with the implementation of the selected alternative. The two processes work together to foster proactive risk management at NASA. The Office of Safety and Mission Assurance at NASA Headquarters has developed a technical handbook to provide guidance for implementing the RIDM process in the context of NASA risk management and systems engineering. This paper summarizes the key concepts and procedures of the RIDM process as presented in the handbook, and also illustrates how the RIDM process can be applied to the selection of technology investments as NASA's new technology development programs are initiated.

Dezfuli, Homayoon↗

NASA NTRSDate not supplied

A Model-Based Systems Engineering Evaluation of the Evolution to an In-Time Aviation Safety Management System

In 2018, as result of a recommendation from the National Academies, NASA began to prototype an In-Time Aviation Safety Management System (IASMS). The purpose of the IASMS is to enable innovative aviation operations and greater heterogeneity of the overall National Airspace (NAS) by automating much of the safety monitoring, assessment, and risk and hazard mitigation function present in today’s Safety Management Systems (SMS). NASA has worked together with early industry collaborators to understand how such a system might work and has published several early Concepts of Operation (ConOps) and other technical memoranda that illustrate the primary considerations for selected aviation domains. The shift from an SMS to an IASMS is predicated on several assumptions, including: 1.) automating safety functions will decrease the amount of time necessary for risk and hazard identification and analysis, making it more likely that safety concerns are understood ‘in-time’ to mitigate them, and 2.) an IASMS will allow easier tailoring of safety management processes to the particular risks and hazards inherent to that aviation operation. In this paper, we begin to validate these assumptions through the use of Model-Based Systems Engineering (MBSE).

IASMS↗

NASA NTRSDate not supplied

A Model-Based Systems Engineering Evaluation of the Evolution to an In-Time Aviation Safety Management System

In 2018, as result of a recommendation from the National Academies, NASA began to prototype an In-Time Aviation Safety Management System(IASMS). The purpose of the IASMS is to enable innovative aviation operations and greater heterogeneity of the overall National Airspace (NAS) by automating much of the safety monitoring, assessment, and risk and hazard mitigation functionspresent in today’s Safety Management Systems (SMS). NASA has worked together with early industry collaborators to understand how such a system might work and has published several early Concepts of Operation (ConOps) and other technical memoranda that illustrate the primary considerations for selected aviation domains. The shift from an SMS to an IASMS is predicated on several assumptions, including: 1.) automating safety functions will decrease the amount of time necessary for risk and hazard identification and analysis, making it more likely that safety concerns are understood ‘in-time’ to mitigate them, and 2.) an IASMS will allow easier tailoring of safety management processes to the particular risks and hazards inherent to that aviation operation. In this paper, we begin to validate these assumptions through the use of Model-Based Systems Engineering (MBSE).

In-time Aviation Safety Management System↗

NASA NTRS2023

Unsteady RANS and Scale Resolving Simulations of Open Rotor Noise

Computational simulations using structured curvilinear overset grids with the Launch Ascent and Vehicle Aerodynamics (LAVA) framework are presented for predicting the aerodynamic and aeroacoustic behavior of a contra-rotating open rotor (CROR) propulsion system using a newly developed and computationally efficient sliding mesh technique. A comprehensive evaluation of two turbulence closure treatments is carried out as part of the scope of this work: Unsteady Reynolds-Averaged Navier-Stokes Simulation (URANS), and Hybrid RANS/LES (HRLES). The computed results are then validated against existing experimental measurements at both the nominal take-off and cruise flight conditions. To propagate the noise generated by the near-field CROR system, aeroacoustic analysis based on a frequency-domain permeable surface Ffowcs Williams-Hawkings (FW-H) approach is applied.

ARMD↗

NASA NTRS2023

Unsteady RANS and Scale Resolving Simulations of Open Rotor Noise

ARMD↗

NASA NTRS1993

Appendix A: Proposed statement of work, 1994

This NRA effort is devoted to developing new techniques and methodologies which utilize and/or provide support to Integrated Vehicle Health Management (IVHM) concepts and techniques, modern design processes, and open architectures to realize an avionics system architecture that relieves the flight control system (FCS) of the requirement of maintaining intimate knowledge and control of the vehicle subsystems (for instance, the reaction control system (RCS)). The benefit of this architecture is that future upgrades and enhancements to the system(s) or to individual components within the system(s) are greatly simplified. This approach also allows a much more straightforward treatment of failure analysis, system diagnosis, and the design of fault containment domains. This NRA effort is also devoted to realizing capabilities to provide an available avionics system (and subsystem(s)) at minimum operational cost. This thrust provides a direct benefit to NASA in that it seeks to accelerate the design cycle to allow state of the art components and designs to actually appear in the fielded system rather than merely in the initial design. To achieve this, this effort is intended to benefit from efforts already underway at Lockheed and other major contractors. For instance, Lockheed Sanders is currently engaged in a major DoD funded development program which has the goal of cutting design cycle time of high performance electronics by a factor of four while simultaneously improving quality also by a factor of four. The early work on this program was used to enable the rapid prototyping of the Reaction Jet Drive Controller which was accomplished in 1993. Similarly, maximum leverage will be derived from recent NASA and DoD efforts to increase the content of high quality commercial grade electronic components in systems for aerospace applications. Both of these goals result in a system with enhanced cost effectiveness, increased reliability, and greatly increased performance compared to a system developed using a more conventional approach.

Source record↗

NASA NTRS1992

Development of an integrated BEM approach for hot fluid structure interaction: BEST-FSI: Boundary Element Solution Technique for Fluid Structure Interaction

As part of the continuing effort at NASA LeRC to improve both the durability and reliability of hot section Earth-to-orbit engine components, significant enhancements must be made in existing finite element and finite difference methods, and advanced techniques, such as the boundary element method (BEM), must be explored. The BEM was chosen as the basic analysis tool because the critical variables (temperature, flux, displacement, and traction) can be very precisely determined with a boundary-based discretization scheme. Additionally, model preparation is considerably simplified compared to the more familiar domain-based methods. Furthermore, the hyperbolic character of high speed flow is captured through the use of an analytical fundamental solution, eliminating the dependence of the solution on the discretization pattern. The price that must be paid in order to realize these advantages is that any BEM formulation requires a considerable amount of analytical work, which is typically absent in the other numerical methods. All of the research accomplishments of a multi-year program aimed toward the development of a boundary element formulation for the study of hot fluid-structure interaction in Earth-to-orbit engine hot section components are detailed. Most of the effort was directed toward the examination of fluid flow, since BEM's for fluids are at a much less developed state. However, significant strides were made, not only in the analysis of thermoviscous fluids, but also in the solution of the fluid-structure interaction problem.

Dargush, G. F.↗

DOE OSTI2025

Data Analysis, Machine Learning, & More

At LANL, I have had the privilege and pleasure of working with Dr. Tika Kafle, an optics and condensed matter physicist at the MagLab in TA-35. Dr. Kafle’s research primarily involves the Angle Resolved Photoemission Spectroscopy (ARPES) technique of characterizing materials. More specifically, Dr. Kafle works with Time Resolved ARPES (Tr-ARPES), which extends this technique into the time domain.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Application of periodic perturbations to a RELAP5 hydraulic simulation to determine frequency response

Time series analysis requires a collection of data taken sequentially in time to apply techniques for identification, modeling, prediction or control purposes. Some systems operating at steady state are perturbed with white noise to extract system information using autoregressive models or spectral analysis, and then the dynamic response is used to assess system properties. If it is not possible to perturb the physical system, a mathematical model can be used to work with and study the perturbation effect. In this work, the system object of perturbation study is a RELAP5 hydraulic model, and since the excitation with a white noise sequence is not readily implementable, an alternative is proposed to apply a series of periodic steps in a square wave pattern. With this periodic excitation, the output of a RELAP5 model for a hydraulic piping system can be analyzed with frequency domain tools. The piping systems can be found in the balance of plant of a steam power plant, and the aim of this work is to explore the capability of RELAP5 to determine system frequency characteristics linked to mechanical vibration in operating lines of a power plant. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗