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DE-NE0000724 - Research Performance Final Report - Investigation of Thermal Aging Effects on the Evolution of Microstructure and Mechanical Properties of Cast Duplex Stainless Steels

This report details the research activities carried out under DOE-NEUP award number DE-NE0000724 concerning the evolution of structural and mechanical properties during thermal aging of CF–3 and CF–8 cast duplex stainless steels (CDSS). The overall objective of this project was to use state-of-the-art characterization techniques to elucidate trends and phenomena in the mechanical and structural evolution of cast duplex stainless steels (CDSS) during thermal aging. These steels are commonly used as structural materials in commercial light water nuclear power plants, undergoing aging for decades in operation as cooling water pipes, pump casings, valve bodies, etc. During extended exposure to these conditions, CDSS are known to undergo a change in mechanical properties resulting in a loss of ductility, i.e. embrittlement. While it is generally accepted that structural changes within the ferrite phase, such as decomposition into iron (Fe)-rich and chromium (Cr)-rich domains, lead to the bulk embrittlement of the steels, many questions remain as to the mechanisms of embrittlement at multiple length scales. This work is intended to shed insight into the atomic level composition changes, associated kinetic mechanisms, and effects of changing phase structure on micro- and nano-scale deformation that lead to loss of impact toughness and tensile ductility in these steels. In general, this project provides a route to answer some of these major questions using techniques such as 3-dimensional (3-D) atom probe tomography (APT) and real-microstructure finite element method (FEM) modeling, which were not readily available when these steels were originally selected for service in light water reactors. Mechanical properties evaluated by Charpy V-notch impact testing (CVN), tensile testing, and microhardness and nanohardness measurements were obtained for each condition and compared with the initial baseline properties to view trends in deformation behavior during aging. Concurrent analysis of the microstructure and nanostructure by atom probe tomography (APT) and transmission electron microscopy (TEM) provide mechanistic insight into the kinetic and mechanical behavior occurring on the nano-scale. The presence and morphology of the ferrite, austenite, and carbide phases have been characterized, and formation of new phases during aging, including spinodal decomposition products (α- and α'-ferrite) and G-phase, have been observed. The mechanical and structural characterization have been used to create accurate FEM models based on the real micro- and nano-structures of the systems. These models provide new insight into the local deformation behavior of these steels and the effects of each individual phase (including ferrite, austenite, carbides, and spinodal decomposition products) on the evolving bulk mechanical behavior of the system. The project was divided into three major tasks: 1. Initial Microstructure and Mechanical Property Survey and Initiate Heat Treatment; 2. Microstructural Characterization and Mechanical Property Testing During Aging; and 3. Microstructure-based Finite Element Modeling. Each of these tasks was successfully executed, resulting in reliable data and analysis that add to the overall body of work on the CDSS materials. Baseline properties and aging trends in mechanical data confirm prior observations and add new insights into the mechanical behavior of the steels. Structural characterization on multiple length scales provides new information on phase changes occurring during aging and sheds light on the kinetic processes occurring at the atomic scale. Furthermore, a combination of mechanical testing and microstructural characterization techniques was utilized to design FEM models of local deformation behavior of the ferrite and austenite phases, providing valuable new information regarding the effects of each of the microstructural components on the hardening and embrittlement processes. The data and analysis presented in this report and the publication associated with this project (§V) increase the understanding of aging and deformation in CF–3 and CF–8 steels. These results provide valuable information that can be utilized to aid in making informed decisions regarding the ongoing use of these steels in commercial nuclear infrastructure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Aero-Propulsive Modeling for eVTOL Aircraft Using Wind Tunnel Testing with Multisine Inputs

A novel approach for modeling the aero-propulsive characteristics of an electric vertical takeoff and landing (eVTOL) aircraft was developed and demonstrated in wind tunnel testing. The approach was applied to the NASA LA-8 tandem tilt-wing eVTOL aircraft, using an efficient, hybrid experiment design composed of a static I-optimal response surface design for slowly-varying test variables, and dynamic orthogonal phase-optimized multisine excitations for the control surfaces and electric propulsors. Both the static and dynamic experiment designs were executed simultaneously to collect informative data for model identification. Statistically-weighted multivariate orthogonal function modeling was used to combine local modeling results computed in the frequency domain using data collected with dynamic excitations operating on the control effectors to form an aggregate aero-propulsive model. The final identified model exhibited good predictive capability when compared to validation data acquired separately from the data used to develop the model. The required test time using these new techniques was reduced by at least a factor of five compared to previous static wind tunnel testing for the LA-8 aircraft, while providing more informative data, greater parameterization flexibility, and high-quality models.

system identification↗

Wave climate and energy resources in American Samoa from a 42-year high-resolution hindcast

Here, this paper presents an analysis of the wave climate and a characterization of the wave energy resources in American Samoa, a U.S. territory covering seven south central Pacific islands and atolls. A numerical wave model based on WAVEWATCH III® and unstructured SWAN was developed, validated, and executed for 1979–2020 to generate a hindcast dataset suitable for resource characterization. Model-data comparisons were performed with measurements collected in situ and from satellite-based altimeters. The model was found to perform well with a bias in significant wave height of -0.14 m and -0.06 m against buoy and altimeters, respectively. The multimodal sea state of American Samoa is investigated by identifying the sources of energy reaching the islands and partitioning the wave spectrum accordingly. The wave resources characterization follows the International Electrotechnical Commission Technical Specifications to be compatible with studies performed for other U.S. regions. The average omnidirectional wave power at 2 km from shore around Tutuila, the main island of American Samoa, is 14 kW/m. Locations east and west of the islands have a more consistent resource throughout the year because the northwest and southwest swells that are dominant during different seasons complement each other.

16 TIDAL AND WAVE POWER↗

A theoretical basis for the analysis of redundant software subject to coincident errors

Fundamental to the development of redundant software techniques fault-tolerant software, is an understanding of the impact of multiple-joint occurrences of coincident errors. A theoretical basis for the study of redundant software is developed which provides a probabilistic framework for empirically evaluating the effectiveness of the general (N-Version) strategy when component versions are subject to coincident errors, and permits an analytical study of the effects of these errors. The basic assumptions of the model are: (1) independently designed software components are chosen in a random sample; and (2) in the user environment, the system is required to execute on a stationary input series. The intensity of coincident errors, has a central role in the model. This function describes the propensity to introduce design faults in such a way that software components fail together when executing in the user environment. The model is used to give conditions under which an N-Version system is a better strategy for reducing system failure probability than relying on a single version of software. A condition which limits the effectiveness of a fault-tolerant strategy is studied, and it is posted whether system failure probability varies monotonically with increasing N or whether an optimal choice of N exists.

Eckhardt, D. E., Jr.↗

Application of Sequential Design of Experiments (SDoE) to Large Pilot-Scale Solvent-Based CO2 Capture Process at Technology Centre Mongstad (TCM)

The United States Department of Energy’s Carbon Capture Simulation for Industry Impact (CCSI2) program has developed a framework for sequential design of experiments (SDoE) that aims to maximize knowledge gained from budget- and schedule-limited pilot scale testing. SDoE was applied to the planning and execution of campaigns for testing CO2 capture systems at pilot-scale in order to optimally allocate resources available for the testing. In this methodology, a stochastic process model is developed by quantifying the parametric uncertainty in submodels of interest; for a solvent-based CO2 capture system, these may include physical properties and equipment performance submodels (e.g., mass transfer, interfacial area). This uncertainty is propagated through the full process model, over variable operating conditions, for estimating the resulting uncertainty in key model outputs (e.g., percentage of CO2 capture, solvent regeneration energy requirement). In developing a data collection plan, the predicted output uncertainty is incorporated into an algorithm that seeks simultaneously to select process operating conditions for which the predicted uncertainty is relatively high and to ensure that the entire space of operation is well represented. This test plan is then used to guide operation of the pilot plant at varying steady-state conditions, with resulting process data incorporated into the existing model using Bayesian inference to refine parameter distributions. The updated stochastic model, with reduced parametric uncertainty from data collected, is then used to guide additional data collection, thus the sequential nature of the experimental design. The SDoE process was implemented at the pilot test unit (12 MWe in scale) at Norway’s Technology Centre Mongstad (TCM) in a summer 2018 test campaign with aqueous monoethanolamine (MEA). During the test campaign, the varied operating conditions included the flowrates of circulated solvent, flue gas, and reboiler steam and the CO2 concentration in the flue gas. The process data were used to update probability distributions of mass transfer and interfacial area parameters of a stochastic process model developed by the CCSI2 team. Two iterations of the SDoE process were executed, resulting in the uncertainty in model predicted CO2 capture percentage decreasing by an average of 58.0 ± 4.7% over the full input space of interest. This work demonstrates the potential of the SDoE process for model refinement through reduction in process model parametric uncertainty, and ultimately risk in scale-up, in CO2 capture technology performance.

carbon capture↗

Multi-Formalism Modeling for Disaster Resilience, Forecasting, and Response

Disaster response preparedness, risk mitigation, and effective post-event response are critical for national security, public health, and economic integrity. For areas impacted by extreme events, timely and accurate impact assessments of lifeline infrastructures are critical. Traditional disaster management and situational awareness platforms are not capable of handling the massive influx of available information from traditional and non-traditional sources. Next-generation analytic assessment approaches, where use of dynamically sourced, heterogeneous data with near real-time availability are integrated into a continually-updated analytics framework. The objective of this research was to develop a foundational multi-formalism modeling platform to integrate novel data sources for use in improving situational awareness after a disaster event. Specifically, to 1) provide an architecture for machine-learning based data fusion various multi-sensor datasets; 2) classify, geolocate, and temporally bin novel data sources for use in spatially-enabled machine-learning based data fusion; and 3) derive confidence-based observation data with machine-learning based prediction to fill spatial and temporal observation gaps. This project developed a reusable cloud-based pipeline architecture for ingesting, storing, and analyzing relevant data, executing a range of deep-learning models, and visualize the information geographically. The pipeline development was informed by previous PNNL investments (StreamKit) and built upon leading-edge technologies consisting of: 1) a raw datastore; 2) a data enrichment pipeline with custom and third-party analytics; 3) enriched data storage; and 4) a custom UI to display the enriched data. Machine learning/deep learning models were selected and tested to classify social media images for relevancy and presence of flood waters. Our custom trained relevance models were run on a validation dataset and the overall accuracy of the relevance classifiers ranged from 65% to 90%. We found that convolutional neural network (CNN) models were both faster and more accurate than more traditional machine learning models. We applied the relevance classifier to remove non-relevant images and then undertook a limited training of CNN models to detect flood on ~1,800 labeled images. The testing accuracy of the flood detection models were ~88%. To improve the geographic location of both social media and oblique aerial images we tested a multi-step workflow built on a pre-trained deep-learning model. To identify similarity features from test and reference scenes, we applied the Xception and Faiss models to a set of test images with inaccurate spatial locations, as well and precisely-located reference scenes from the general area. Matching reference scenes to the test scenes with the closest similarity index had limited success in improving the precision of test scene location and additional methods have been identified for testing. Data fusion between authoritative geographic data (satellite imaging) and non-authoritative crowdsourced data is an underlying theme throughout this research and methods are tested bring these data to a common geographic form through feature matching and transformations. The automated extraction of supporting information for disaster response from oblique aerial images or ground-level social media images is accomplished through semantic image segmentation and transformation. The non-authoritative data are used to validate the authoritative data collections and processing and optionally, t+0 flood models. In addition, the common form geographic data are combined with other static landscape features to develop spatially-explicit training vectors used in deep generative statistical inference models to develop complex non-linear relationships in static and dynamic data and ultimately derive a spatially continuous and probabilistic assessment of flood damage with the event domain.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

A Framework to Analyze the Performance of Load Balancing Schemes for Ensembles of Stochastic Simulations

Ensembles of simulations are employed to estimate the statistics of possible future states of a system, and are widely used in important applications such as climate change and biological modeling. Ensembles of runs can naturally be executed in parallel. However, when the CPU times of individual simulations vary considerably, a simple strategy of assigning an equal number of tasks per processor can lead to serious work imbalances and low parallel efficiency. This paper presents a new probabilistic framework to analyze the performance of dynamic load balancing algorithms for ensembles of simulations where many tasks are mapped onto each processor, and where the individual compute times vary considerably among tasks. Four load balancing strategies are discussed: most-dividing, all-redistribution, random-polling, and neighbor-redistribution. Simulation results with a stochastic budding yeast cell cycle model are consistent with the theoretical analysis. It is especially significant that there is a provable global decrease in load imbalance for the local rebalancing algorithms due to scalability concerns for the global rebalancing algorithms. The overall simulation time is reduced by up to 25 %, and the total processor idle time by 85 %.

ALGORITHMS↗

A direct-execution parallel architecture for the Advanced Continuous Simulation Language (ACSL)

A direct-execution parallel architecture for the Advanced Continuous Simulation Language (ACSL) is presented which overcomes the traditional disadvantages of simulations executed on a digital computer. The incorporation of parallel processing allows the mapping of simulations into a digital computer to be done in the same inherently parallel manner as they are currently mapped onto an analog computer. The direct-execution format maximizes the efficiency of the executed code since the need for a high level language compiler is eliminated. Resolution is greatly increased over that which is available with an analog computer without the sacrifice in execution speed normally expected with digitial computer simulations. Although this report covers all aspects of the new architecture, key emphasis is placed on the processing element configuration and the microprogramming of the ACLS constructs. The execution times for all ACLS constructs are computed using a model of a processing element based on the AMD 29000 CPU and the AMD 29027 FPU. The increase in execution speed provided by parallel processing is exemplified by comparing the derived execution times of two ACSL programs with the execution times for the same programs executed on a similar sequential architecture.

Carroll, Chester C.↗

A Prototype System for Ground Control Space Telerobotics

A telerobotics system is described which provides supervised autonomous control capability for time-delayed ground-remote control applications. The system includes a local site operator interface for interactive task description and a remote site task execution system. Interactive stereo graphics overlay on video is provided at the local site to update the remote environmental model. The remote site system is capable of nominal task execution as well as monitoring and reflex action. Execution utilizes multiple control modules which execute based upon command parameterization.

robotics autonomous control telerobotics manipulat↗

Serious Gaming for Building a Basis of Certification via Trust and Trustworthiness of Autonomous Systems

Autonomous systems governed by a variety of adaptive and nondeterministic algorithms are being planned for inclusion into safety-critical environments, such as unmanned aircraft and space systems in both civilian and military applications. However, until autonomous systems are proven and perceived to be capable and resilient in the face of unanticipated conditions, humans will be reluctant or unable to delegate authority, remaining in control aided by machine-based information and decision support. Proving capability, or trustworthiness, is a necessary component of certification. Perceived capability is a component of trust. Trustworthiness is an attribute of a cyber-physical system that requires context-driven metrics to prove and certify. Trust is an attribute of the agents participating in the system and is gained over time and multiple interactions through trustworthy behavior and transparency. Historically, artificial intelligence and machine learning systems provide answers without explanation - without a rationale or insight into the machine “thinking”. In order to function as trusted teammates, machines must be able to explain their decisions and actions. This transparency is a product of both content and communication. NASA’s Autonomy Teaming & TRAjectories for Complex Trusted Operational Reliability (ATTRACTOR) project seeks to build a basis for certification of autonomous systems via establishing metrics for trustworthiness and trust in multi-agent team interactions, using AI (Artificial Intelligence) explainability and persistent modeling and simulation, in the context of mission planning and execution, with analyzable trajectories. Inspired by Massively Multiplayer Online Role Playing Games (MMORPG) and Serious Gaming, the proposed ATTRACTOR modeling and simulation environment is similar to online gaming environments in which player (aka agent) participants interact with each other, affect their environment, and expect the simulation to persist and change regardless of any individual agent’s active participation. This persistent simulation environment will accommodate individual agents, groups of self-organizing agents, and large-scale infrastructure behavior. The effects of the emerging adaptation and coevolution can be observed and measured to building a basis of measurable trustworthiness and trust, toward certification of safety-critical autonomous systems.

Allen, B. Danette↗

A real-time distributed solid oxide electrolysis cell (SOEC) model for cyber-physical simulation

System integration and dynamic operability between SOEC and balance-of-plant (BoP) components are major technical challenges before realizing rapid load following of SOEC systems. Cyber-physical simulation (CPS) is a leading-edge digital engineering approach and is regarded as the next step beyond Digital Twins. CPS approach can be used to research SOEC system integration and develop dynamic controls prior to actual pilot testing without using a real SOEC. To seamlessly couple with BoP hardware and access non-observable operational parameters (e.g., local temperature gradient) during transients, a distributed one-dimensional (1D) real-time SOEC model was developed. Its real-time execution was demonstrated for 20 to 640 nodes at the fixed time step of 5 ms. A higher excess air ratio enabled smaller local temperature gradients on SOEC solid materials and faster transients upon current density step change from 0.15 to 0.55 A cm -2 . During the transients, the magnitude of the peak temperature gradient nearly doubled in 10 s from -3.5 to -5.9 °C cm -1 . This represents a significant operating risk that can impact the dynamic operability of SOEC systems. In addition, the local temperature gradient was found to change directions on all nodes in SOEC solid materials, with the greatest impact on the upstream nodes. The SOEC model was also tested at the thermal neutral voltage using actual process air flow parameters as variable model inputs. Variable process air temperatures were found to induce alternating local temperature gradients on SOEC solid materials. These are new operational mechanisms for SOEC degradation relevant for load following operational modes yet distinct from previous reports. To mitigate these unfavorable features, the SOEC can be operated at voltages that are slightly (±20 mV) deviated from the thermal neutral voltage. Here, the corresponding net thermal energy change was less than 1.6% of the electric power consumption. This 1D real-time SOEC model established the basis of cyber-physical simulation of SOEC hybrid systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Models and methods for assessing the value of HVDC adn MVDC technologies in modern power grids (Annual Report, Executive Summary)

Evolution of today’s predominantly alternating current (ac) transmission grid in to mixed ac transmission – high-voltage direct current (HVdc) systems is expected with the decreasing costs of and advancements in power electronics technologies. The recent technological advancements include the development of more efficient and compact voltage source converters (VSCs) that can provide fast response. Because of their controllability and fast response, HVdc systems provide the ability to enhance reliability of the ac transmission grid through frequency support, voltage control, and congestion relief. The HVdc systems can also provide other ancillary services to enhance the economics and reliability of the ac transmission grids, and to optimize their performance. The tools, models, and methods developed to evaluate their benefits will be key enablers to understanding the value proposition introduced by the fast-acting HVdc systems. The main motivation of this work was to develop models and methods to explore and quantify the technical and economic benefits of HVdc systems and fast response VSC technologies in the future grid of United States. The models and methods explore the benefits of HVdc systems through provision of controlled active/reactive power and fast response. The fast response can provide much-needed multiobjective services to the grid (e.g., frequency response, voltage control) while moving blocks of energy. The models and methods can be applied to study other power electronics technologies and scenarios such as those undertaken in ongoing studies led by the North American Electric Reliability Corporation (NERC) Inverter-based Resource Performance Task Force (IRPTF). The IRPTF studies identify the problems associated with power electronics-based technologies as they are integrated in to the bulk power system (or the ac transmission system).

24 POWER TRANSMISSION AND DISTRIBUTION↗

Crash Testing and Simulation of a Cessna 172 Aircraft: Hard Landing Onto Concrete

A full-scale crash test of a Cessna 172 aircraft was conducted at the Landing and Impact Research Facility at NASA Langley Research Center during the summer of 2015. The purpose of the test was to evaluate the performance of Emergency Locator Transmitters (ELTs) that were mounted at various locations in the aircraft and to generate impact test data for model validation. A finite element model of the aircraft was developed for execution in LSDYNA to simulate the test. Measured impact conditions were 722.4-in/s forward velocity and 276-in/s vertical velocity with a 1.5deg pitch (nose up) attitude. These conditions were intended to represent a survivable hard landing. The impact surface was concrete. During the test, the nose gear tire impacted the concrete, followed closely by impact of the main gear tires. The main landing gear spread outward, as the nose gear stroked vertically. The only fuselage contact with the impact surface was a slight impact of the rearmost portion of the lower tail. Thus, capturing the behavior of the nose and main landing gear was essential to accurately predict the response. This paper describes the model development and presents test-analysis comparisons in three categories: inertial properties, time sequence of events, and acceleration and velocity time-histories.

Jackson, Karen E.↗

A Pilot Study to Determine MBSE Utility for Process Modeling of Complex Interfaces

Modeling a full system or a complete interface between systems in a MBSE environment is a very large task and not all organizations will benefit enough from using MBSE to offset the effort that is required to do this. Completely modeling a system or interface is not necessary to evaluate the utility of MBSE for a specific application or organization. A small pilot can be executed over a short period of time that only models small portions of a system or interface and, if structured properly, this pilot can successfully demonstrate the utility of MBSE for an organization before having to invest a larger amount of resources to fully implement and deploy MBSE. This paper documents one such pilot that was conducted for NASA’s Launch Services Program.

MBSE↗

A Pilot Study to Determine MBSE Utility for Process Modeling of Complex Interfaces

Modeling a full system or a complete interface between systems in a MBSE environment is a very large task and not all organizations will benefit enough from using MBSE to offset the effort that is required to do this. Completely modeling a system or interface is not necessary to evaluate the utility of MBSE for a specific application or organization. A small pilot can be executed over a short period of time that only models small portions of a system or interface and, if structured properly, this pilot can successfully demonstrate the utility of MBSE for an organization before having to invest a larger amount of resources to fully implement and deploy MBSE. This paper documents one such pilot that was conducted for NASA's Launch Services Program.

MBSE↗

A Pilot Study to Determine MBSE Utility for Process Modeling of Complex Interfaces

Modeling a full system or a complete interface between systems in a MBSE environment is a very large task and not all organizations will benefit enough from using MBSE to offset the effort that is required to do this. Completely modeling a system or interface is not necessary to evaluate the utility of MBSE for a specific application or organization. A small pilot can be executed over a short period of time that only models small portions of a system or interface and, if structured properly, this pilot can successfully demonstrate the utility of MBSE for an organization before having to invest a larger amount of resources to fully implement and deploy MBSE. This paper documents one such pilot that was conducted for NASA's Launch Services Program.

MBSE↗

TRACE Input Modernization

This work presents a Tom’s Obvious Minimal Language (TOML)-based representation of input for the US Nuclear Regulatory Commission’s TRAC/RELAP Advanced Computational Engine (TRACE) thermal hydraulics code. Implemented using the Workbench Analysis Sequence Processor (WASP), the approach maps traditional TRACE input structures to a hierarchical format composed of named parameters, typed values, and native data collections. The resulting representation preserves TRACE’s existing modeling capabilities while providing a modern, structured interface for model development and management. WASP further extends TOML through a file import directive that supports modular model composition and reusable input organization. In addition, WASP provides extended array data entry convenience with various data repeat and interpolation capabilities. Examples of the new TOML syntax are provided for major TRACE input categories, including hydraulic components, heat structures, control systems, and trip logic. The TOML representation establishes a foundation for improved validation, tooling, automation, and model maintainability while remaining compatible with existing TRACE workflows. To facilitate migration to the TOML-based input format, the TRACE executable now supports conversion of native TRACE input into an intermediate JSON representation. A Python utility subsequently transforms the JSON data into an equivalent TOML model. Lastly, the TRACE executable now supports execution using TOML-formatted input.

Lefebvre, Robert A. [Oak Ridge National Laboratory↗

Adaptive Impact-Driven Detection of Silent Data Corruption for HPC Applications

For exascale HPC applications, silent data corruption (SDC) is one of the most dangerous problems because there is no indication that there are errors during the execution. We propose an adaptive impact-driven method that can detect SDCs dynamically. The key contributions are threefold. (1) We carefully characterize 18 real-world HPC applications and discuss the runtime data features, as well as the impact of the SDCs on their execution results. (2) We propose an impact-driven detection model that does not blindly improve the prediction accuracy, but instead detects only influential SDCs to guarantee user-acceptable execution results. (3) Our solution can adapt to dynamic prediction errors based on local runtime data and can automatically tune detection ranges for guaranteeing low false alarms. Experiments show that our detector can detect 80-99.99% of SDCs with a false alarm rate less that 1% of iterations for most cases. The memory cost and detection overhead are reduced to 15% and 6.3%, respectively, for a large majority of applications.

Exascale HPC↗