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DOE OSTI2022

The HUNTER Dynamic Human Reliability Analysis Tool: Coupling an External Plant Code

The Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) is a framework to support dynamic human reliability analysis (HRA) with the aim to develop standalone software to perform the dynamic HRA calculations. Within the HRA, human actions in nuclear power plants (NPPs) are predicated by plant states, and human actions influence the plant. In other words, plant operations are necessarily recursive, and it becomes challenging to model complex human-plant interactions. Consequently, we have linked two software simulations that complement those shortcomings. RELAP5-3D—the Reactor Excursion and Leak Analysis Program (RELAP; Aumiller, Tomlinson, and Bauer 2001) is the foundational thermal-hydraulic software used to model nuclear systems. Using RELAP5-3D, we have simulated the plant operations proceeding according to procedures developed to address emergent situations in NPPs. Plant operations include various actions such as the operator checking plant parameters, as well as actions that are continuously performed over time until a specific parameter reaches certain criteria. That means that HUNTER and RELAP5-3D exchange information with each other and should be carried out simultaneously over time. To simulate plant operations, which represent the actual operator checks of plant parameters and corresponding manual control actions, changes in plant status are identified through simulation and performed according to the criteria and order of the procedure. Thus, the goal of coupling HUNTER with RELAP5-3D is to facilitate synchronous coupling, where human and plant models provide iterative feedback loops that drive the course of actions. The advantage of coupling with RELAP5-3D to serve as the external environment module in HUNTER is the ability to customize the plant model and streamline for particular model applications. In this paper, we will address the key features of the coupling and the coupling structure built to perform the feedback loops.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRSDate not supplied

Shoulder Postures in EVA Training in Reduced Gravity Analogues

Shoulder Postures in EVA Training in Reduced Gravity Analogues K. Guhl1, L. Vu2, H. Kim3, S. Rajulu4 1KBR Inc., Houston, TX, 2Aegis Aerospace Inc., Houston, TX, 3Leidos Innovations, Houston, TX, 4NASA Johnson Space Center, Houston, TX. During extravehicular activities (EVAs) and EVA training in both the Neutral Buoyancy Laboratory (NBL) and at the Active Response Gravity Offload System (ARGOS), crewmembers perform a variety of hand-intensive tasks with frequent arm/shoulder repositioning while wearing a pressurized spacesuit. As a result, crewmembers may experience ergonomic stressors such as awkward shoulder postures. The ergonomic shoulder risk is also compounded by limited or restricted shoulder mobility of the spacesuit, extreme work positions such as overhead tasks, and tasks with heavy tools and repetitive motions. Prolonged or frequent shoulder elevation and overhead work, in particular, can lead to excessive stresses and musculoskeletal injuries of the shoulder joints. Future EVA missions, specifically lunar surface EVAs, will also be longer in duration and thus increase the exposure to awkward shoulder postures. In this study, we aimed to assess the ergonomic risk of awkward shoulder postures in simulated lunar surface EVAs by quantifying when and how long the arms are raised above the chest level. We assessed video recordings of pilot lunar EVA simulations (3 lunar trials each in the NBL and at ARGOS and 2 microgravity EVA trials in the NBL). These runs consisted of both training and engineering test objectives. Actual demands for shoulder use varied for different EVA types and analogues, but many EVA runs have common tasks and require similar motion components. A video observation and event logging software was used to document the duration and occurrence of the subject’s arms being raised throughout the video recordings of each EVA run. An arm raised instance was classified as the arm being at 90 degrees or above with relation to gravity for lunar EVA training events and with relation to the body for microgravity EVA training events. Such events included EVA hardware maintenance or heavy geology sampling tool operations. Events where the arm load was partially supported by external objects, like climbing a ladder or leaning against a surface were separately identified and excluded. Statistical analysis was performed to summarize the timing, frequency, and durations of the arm raise events and compared across the different EVA tasks and analogue types. Preliminary observations indicated that the total duration and number of arm raised instances were surprisingly smaller for lunar surface EVA training as compared to microgravity EVA training. The observed difference may be attributed to differing task demands and unique environmental characteristics found in lunar EVAs in comparison to microgravity EVAs. A detailed statistical analysis will be performed between lunar surface EVA training events and microgravity EVA training events in the final submission. Overall, this analysis is expected to provide insight into how ergonomic recommendations can be refined for lunar EVA training with pressurized suits. It may also inform task design and influence suit padding design to better protect crewmembers during future lunar training.

Kaitlyn Lea Guhl↗

NASA NTRS2008

Lunar Polar Illumination for Power Analysis

This paper presents illumination analyses using the latest Earth-based radar digital elevation model (DEM) of the lunar south pole and an independently developed analytical tool. These results enable the optimum sizing of solar/energy storage lunar surface power systems since they quantify the timing and durations of illuminated and shadowed periods. Filtering and manual editing of the DEM based on comparisons with independent imagery were performed and a reduced resolution version of the DEM was produced to reduce the analysis time. A comparison of the DEM with lunar limb imagery was performed in order to validate the absolute heights over the polar latitude range, the accuracy of which affects the impact of long range, shadow-casting terrain. Average illumination and energy storage duration maps of the south pole region are provided for the worst and best case lunar day using the reduced resolution DEM. Average illumination fractions and energy storage durations are presented for candidate low energy storage duration south pole sites. The best site identified using the reduced resolution DEM required a 62 hr energy storage duration using a fast recharge power system. Solar and horizon terrain elevations as well as illumination fraction profiles are presented for the best identified site and the data for both the reduced resolution and high resolution DEMs compared. High resolution maps for three low energy storage duration areas are presented showing energy storage duration for the worst case lunar day, surface height, and maximum absolute surface slope.

Fincannon, James↗

DOE OSTI2020

Energy and Exergy Analysis of Low-Global Warming Potential Refrigerants as Replacement for R410A in Two-Speed Heat Pumps for Cold Climates

Heat pumps (HPs) are being developed with a new emphasis on cold climates. To lower the environmental impact of greenhouse gas (GHG) emissions, alternate low global warming potential (GWP) refrigerants must also replace the exclusive use of the refrigerant R410A, preferably without re-engineering the mechanical hardware. In this paper, we analyze the performance of four low-GWP alternative refrigerants (R32, R452B, R454B, and R466A) relative to the conventional R410A and draw conclusions on the relative performances for providing heating in cold climates based on the Air-Conditioning, Heating, and Refrigeration Institute (AHRI) 210/240 standard for two-speed heat pumps. The simulations are carried using the Department of Energy, Oak Ridge National Laboratory (DOE/ORNL) Heat Pump Design Model (HPDM), a well-known heating, ventilation, and air conditioning (HVAC) modeling and design tool in the public domain and the HVAC research and development community. The results of the simulation are further scrutinized using exergy analysis to identify sources of systemic inefficiency, the root cause of lost work. This rigorous approach provides an exhaustive analysis of alternate low-GWP refrigerants to replace R410A using available compressors and system components, without compromising performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2000

Mean Line Pump Flow Model in Rocket Engine System Simulation

A mean line pump flow modeling method has been developed to provide a fast capability for modeling turbopumps of rocket engines. Based on this method, a mean line pump flow code PUMPA has been written that can predict the performance of pumps at off-design operating conditions, given the loss of the diffusion system at the design point. The pump code can model axial flow inducers, mixed-flow and centrifugal pumps. The code can model multistage pumps in series. The code features rapid input setup and computer run time, and is an effective analysis and conceptual design tool. The map generation capability of the code provides the map information needed for interfacing with a rocket engine system modeling code. The off-design and multistage modeling capabilities of the code permit parametric design space exploration of candidate pump configurations and provide pump performance data for engine system evaluation. The PUMPA code has been integrated with the Numerical Propulsion System Simulation (NPSS) code and an expander rocket engine system has been simulated. The mean line pump flow code runs as an integral part of the NPSS rocket engine system simulation and provides key pump performance information directly to the system model at all operating conditions.

Veres, Joseph P.↗

DOE OSTI2024

Risk-Aware Framework Development for Disruption Prediction: Alcator C-Mod and DIII-D Survival Analysis

Abstract Survival regression models can achieve longer warning times at similar receiver operating characteristic performance than previously investigated models. Survival regression models are also shown to predict the time until a disruption will occur with lower error than other predictors. Time-to-event predictions from time-series data can be obtained with a survival analysis statistical framework, and there have been many tools developed for this task which we aim to apply to disruption prediction. Using the open-source Auton-Survival package we have implemented disruption predictors with the survival regression models Cox Proportional Hazards, Deep Cox Proportional Hazards, and Deep Survival Machines. To compare with previous work, we also include predictors using a Random Forest binary classifier, and a conditional Kaplan-Meier formalism. We benchmarked the performance of these five predictors using experimental data from the Alcator C-Mod and DIII-D tokamaks by simulating alarms on each individual shot. We find that developing machine-relevant metrics to evaluate models is an important area for future work. While this study finds cases where disruptive conditions are not predicted, there are instances where the desired outcome is produced. Giving the plasma control system the expected time-to-disruption will allow it to determine the optimal actuator response in real time to minimize risk of damage to the device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Augmentation of WRF-Hydro to simulate overland-flow- and streamflow-generated debris flow susceptibility in burn scars

In steep wildfire-burned terrains, intense rainfall can produce large runoff that can trigger highly destructive debris flows. However, the ability to accurately characterize and forecast debris flow susceptibility in burned terrains using physics-based tools remains limited. Here, we augment the Weather Research and Forecasting Hydrological modeling system (WRF-Hydro) to simulate both overland and channelized flows and assess postfire debris flow susceptibility over a regional domain. We perform hindcast simulations using high-resolution weather-radar-derived precipitation and reanalysis data to drive non-burned baseline and burn scar sensitivity experiments. Our simulations focus on January 2021 when an atmospheric river triggered numerous debris flows within a wildfire burn scar in Big Sur – one of which destroyed California's famous Highway 1. Compared to the baseline, our burn scar simulation yields dramatic increases in total and peak discharge and shorter lags between rainfall onset and peak discharge, consistent with streamflow observations at nearby US Geological Survey (USGS) streamflow gage sites. For the 404 catchments located in the simulated burn scar area, median catchment-area-normalized peak discharge increases by ~ 450 % compared to the baseline. Catchments with anomalously high catchment-area-normalized peak discharge correspond well with post-event field-based and remotely sensed debris flow observations. We suggest that our regional postfire debris flow susceptibility analysis demonstrates WRF-Hydro as a compelling new physics-based tool whose utility could be further extended via coupling to sediment erosion and transport models and/or ensemble-based operational weather forecasts. Given the high-fidelity performance of our augmented version of WRF-Hydro, as well as its potential usage in probabilistic hazard forecasts, we argue for its continued development and application in postfire hydrologic and natural hazard assessments.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2000

Atomistic Method Applied to Computational Modeling of Surface Alloys

The formation of surface alloys is a growing research field that, in terms of the surface structure of multicomponent systems, defines the frontier both for experimental and theoretical techniques. Because of the impact that the formation of surface alloys has on surface properties, researchers need reliable methods to predict new surface alloys and to help interpret unknown structures. The structure of surface alloys and when, and even if, they form are largely unpredictable from the known properties of the participating elements. No unified theory or model to date can infer surface alloy structures from the constituents properties or their bulk alloy characteristics. In spite of these severe limitations, a growing catalogue of such systems has been developed during the last decade, and only recently are global theories being advanced to fully understand the phenomenon. None of the methods used in other areas of surface science can properly model even the already known cases. Aware of these limitations, the Computational Materials Group at the NASA Glenn Research Center at Lewis Field has developed a useful, computationally economical, and physically sound methodology to enable the systematic study of surface alloy formation in metals. This tool has been tested successfully on several known systems for which hard experimental evidence exists and has been used to predict ternary surface alloy formation (results to be published: Garces, J.E.; Bozzolo, G.; and Mosca, H.: Atomistic Modeling of Pd/Cu(100) Surface Alloy Formation. Surf. Sci., 2000 (in press); Mosca, H.; Garces J.E.; and Bozzolo, G.: Surface Ternary Alloys of (Cu,Au)/Ni(110). (Accepted for publication in Surf. Sci., 2000.); and Garces, J.E.; Bozzolo, G.; Mosca, H.; and Abel, P.: A New Approach for Atomistic Modeling of Pd/Cu(110) Surface Alloy Formation. (Submitted to Appl. Surf. Sci.)). Ternary alloy formation is a field yet to be fully explored experimentally. The computational tool, which is based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of the energetics, consists of a small number of simple PCbased computer codes that deal with the different aspects of surface alloy formation. Two analysis modes are available within this package. The first mode provides an atom-by-atom description of real and virtual stages 1. during the process of surface alloying, based on the construction of catalogues of configurations where each configuration describes one possible atomic distribution. BFS analysis of this catalogue provides information on accessible states, possible ordering patterns, and details of island formation or film growth. More importantly, it provides insight into the evolution of the system. Software developed by the Computational Materials Group allows for the study of an arbitrary number of elements forming surface alloys, including an arbitrary number of surface atomic layers. The second mode involves large-scale temperature-dependent computer 2. simulations that use the BFS method for the energetics and provide information on the dynamic processes during surface alloying. These simulations require the implementation of Monte-Carlo-based codes with high efficiency within current workstation environments. This methodology capitalizes on the advantages of the BFS method: there are no restrictions on the number or type of elements or on the type of crystallographic structure considered. This removes any restrictions in the definition of the configuration catalogues used in the analytical calculations, thus allowing for the study of arbitrary ordering patterns, ultimately leading to the actual surface alloy structure. Moreover, the Monte Carlo numerical technique used for the large-scale simulations allows for a detailed visualization of the simulated process, the main advantage of this type of analysis being the ability to understand the underlying features that drive these processes. Because of the simplicity of the BFS method for e energetics used in these calculations, a detailed atom-by-atom analysis can be performed at any point in the simulation, providing necessary insight on the details of the process. The main objective of this research program is to develop a tool to guide experimenters in understanding and interpreting often unexpected results in alloy formation experiments. By reducing the computational effort without losing physical accuracy, we expect that powerful simulation tools will be developed in the immediate future, which will allow material scientists to easily visualize and analyze processes at a level not achievable experimentally.

Bozzolo, Guillermo H.↗

DOE OSTI2016

Towards improved and more routine Earth system model evaluation in CMIP

The Coupled Model Intercomparison Project (CMIP) has successfully provided the climate community with a rich collection of simulation output from Earth system models (ESMs) that can be used to understand past climate changes and make projections and uncertainty estimates of the future. Confidence in ESMs can be gained because the models are based on physical principles and reproduce many important aspects of observed climate. More research is required to identify the processes that are most responsible for systematic biases and the magnitude and uncertainty of future projections so that more relevant performance tests can be developed. At the same time, there are many aspects of ESM evaluation that are well established and considered an essential part of systematic evaluation but have been implemented ad hoc with little community coordination. Given the diversity and complexity of ESM analysis, we argue that the CMIP community has reached a critical juncture at which many baseline aspects of model evaluation need to be performed much more efficiently and consistently. We provide a perspective and viewpoint on how a more systematic, open, and rapid performance assessment of the large and diverse number of models that will participate in current and future phases of CMIP can be achieved, and announce our intention to implement such a system for CMIP6. Accomplishing this could also free up valuable resources as many scientists are frequently "re-inventing the wheel" by re-writing analysis routines for well-established analysis methods. A more systematic approach for the community would be to develop and apply evaluation tools that are based on the latest scientific knowledge and observational reference, are well suited for routine use, and provide a wide range of diagnostics and performance metrics that comprehensively characterize model behaviour as soon as the output is published to the Earth System Grid Federation (ESGF). The CMIP infrastructure enforces data standards and conventions for model output and documentation accessible via the ESGF, additionally publishing observations (obs4MIPs) and reanalyses (ana4MIPs) for model intercomparison projects using the same data structure and organization as the ESM output. This largely facilitates routine evaluation of the ESMs, but to be able to process the data automatically alongside the ESGF, the infrastructure needs to be extended with processing capabilities at the ESGF data nodes where the evaluation tools can be executed on a routine basis. Efforts are already underway to develop community-based evaluation tools, and we encourage experts to provide additional diagnostic codes that would enhance this capability for CMIP. And, at the same time, we encourage the community to contribute observations and reanalyses for model evaluation to the obs4MIPs and ana4MIPs archives. The intention is to produce through the ESGF a widely accepted quasi-operational evaluation framework for CMIP6 that would routinely execute a series of standardized evaluation tasks. Over time, as this capability matures, we expect to produce an increasingly systematic characterization of models which, compared with early phases of CMIP, will more quickly and openly identify the strengths and weaknesses of the simulations. This will also reveal whether long-standing model errors remain evident in newer models and will assist modelling groups in improving their models. Finally, this framework will be designed to readily incorporate updates, including new observations and additional diagnostics and metrics as they become available from the research community.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

A Versatile Simulated Data Transport Layer for in Situ Workflows Performance Evaluation

In situ processing does not only allow scientific applications to face the explosion in data volume and velocity but also to address the time constraints of many simulation-analysis workflows by providing scientists with early insights about their applications at runtime. Multiple frameworks implement the concept of a data transport layer (DTL) to enable such in situ workflows. These tools are very versatile, directly or indirectly access the data generated on the same node, another node of the same compute cluster, or a completely distinct node, and allow data publishers and subscribers to run on the same computing resources or not. This versatility puts on researchers the onus of taking key decisions related to resource allocation and how to transport data to ensure the most efficient execution of their in situ workflows. However, domain scientists and workflow practitioners lack the appropriate tools to assess the respective performance of particular design and deployment options. In this paper we introduce a versatile simulated DTL designed to provide researchers with insights on the respective performance of different execution scenarios of in situ workflows. This open-source, standalone library builds on the SimGrid toolkit and can be linked to any SimGrid-based simulator. It facilitates the evaluation of the performance behavior, at scale, of different data transport configurations and the study of the effects of resource allocation strategies. We demonstrate the scalability, versatility, and accuracy of this simulated DTL by reproducing the execution of two synthetic benchmarks and of a real-world in situ workflow composed of an MPI application and a parallel data analysis. Results of simulations run on a single core show that the proposed library can simulate the interactions of tens of thousands of simulated processes deployed on two interconnected commodity clusters in a few seconds, and the execution by a thousand simulated processes of an in situ workflow in less than three minutes.

Suter, Fred [ORNL] (ORCID:0000000319021955)↗

DOE OSTI2018

A review of fuel performance modelling

Nuclear fuel performance codes or models exist for many fuel types and are used for a variety of purposes ranging from design optimization, experiment planning and interpretation to safety analysis. In the current review, we focus on the most relevant simulation tools for the nuclear industry and disregard those that were developed only for very specific applications. As a result, we consider only codes for LWR fuel, since they represent the dominant form for civil energy production.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2011

Analytical Tools for Space Suit Design

As indicated by the implementation of multiple small project teams within the agency, NASA is adopting a lean approach to hardware development that emphasizes quick product realization and rapid response to shifting program and agency goals. Over the past two decades, space suit design has been evolutionary in approach with emphasis on building prototypes then testing with the largest practical range of subjects possible. The results of these efforts show continuous improvement but make scaled design and performance predictions almost impossible with limited budgets and little time. Thus, in an effort to start changing the way NASA approaches space suit design and analysis, the Advanced Space Suit group has initiated the development of an integrated design and analysis tool. It is a multi-year-if not decadal-development effort that, when fully implemented, is envisioned to generate analysis of any given space suit architecture or, conversely, predictions of ideal space suit architectures given specific mission parameters. The master tool will exchange information to and from a set of five sub-tool groups in order to generate the desired output. The basic functions of each sub-tool group, the initial relationships between the sub-tools, and a comparison to state of the art software and tools are discussed.

Aitchison, Lindsay↗

NASA NTRS2004

Advanced Signal Conditioners for Data-Acquisition Systems

Signal conditioners embodying advanced concepts in analog and digital electronic circuitry and software have been developed for use in data-acquisition systems that are required to be compact and lightweight, to utilize electric energy efficiently, and to operate with high reliability, high accuracy, and high power efficiency, without intervention by human technicians. These signal conditioners were originally intended for use aboard spacecraft. There are also numerous potential terrestrial uses - especially in the fields of aeronautics and medicine, wherein it is necessary to monitor critical functions. Going beyond the usual analog and digital signal-processing functions of prior signal conditioners, the new signal conditioner performs the following additional functions: It continuously diagnoses its own electronic circuitry, so that it can detect failures and repair itself (as described below) within seconds. It continuously calibrates itself on the basis of a highly accurate and stable voltage reference, so that it can continue to generate accurate measurement data, even under extreme environmental conditions. It repairs itself in the sense that it contains a micro-controller that reroutes signals among redundant components as needed to maintain the ability to perform accurate and stable measurements. It detects deterioration of components, predicts future failures, and/or detects imminent failures by means of a real-time analysis in which, among other things, data on its present state are continuously compared with locally stored historical data. It minimizes unnecessary consumption of electric energy. The design architecture divides the signal conditioner into three main sections: an analog signal section, a digital module, and a power-management section. The design of the analog signal section does not follow the traditional approach of ensuring reliability through total redundancy of hardware: Instead, following an approach called spare parts tool box, the reliability of each component is assessed in terms of such considerations as risks of damage, mean times between failures, and the effects of certain failures on the performance of the signal conditioner as a whole system. Then, fewer or more spares are assigned for each affected component, pursuant to the results of this analysis, in order to obtain the required degree of reliability of the signal conditioner as a whole system. The digital module comprises one or more processors and field-programmable gate arrays, the number of each depending on the results of the aforementioned analysis. The digital module provides redundant control, monitoring, and processing of several analog signals. It is designed to minimize unnecessary consumption of electric energy, including, when possible, going into a low-power "sleep" mode that is implemented in firmware. The digital module communicates with external equipment via a personal-computer serial port. The digital module monitors the "health" of the rest of the signal conditioner by processing defined measurements and/or trends. It automatically makes adjustments to respond to channel failures, compensate for effects of temperature, and maintain calibration.

Lucena, Angel↗

DOE OSTI2016

Operational Simulation Tools and Long Term Strategic Planning for High Penetrations of PV in the Southeastern United States

Increasing levels of distributed and utility scale Solar Photovoltaics (PV) will have an impact on many utility functions, including distribution system operations, bulk system performance, business models and scheduling of generation. In this project, EPRI worked with Southern Company Services and its affiliates and the Tennessee Valley Authority to assist these utilities in their strategic planning efforts for integrating PV, based on modeling, simulation and analysis using a set of innovative tools. Advanced production simulation models were used to investigate operating reserve requirements. To leverage existing work and datasets, this last task was carried out on the California system. Overall, the project resulted in providing useful information to both of the utilities involved and through the final reports and interactions during the project. The results from this project can be used to inform the industry about new and improved methodologies for understanding solar PV penetration, and will influence ongoing and future research. This report summarizes each of the topics investigated over the 2.5-year project period.

14 SOLAR ENERGY↗

NASA NTRS2007

Analysis Method for Quantifying Vehicle Design Goals

A document discusses a method for using Design Structure Matrices (DSM), coupled with high-level tools representing important life-cycle parameters, to comprehensively conceptualize a flight/ground space transportation system design by dealing with such variables as performance, up-front costs, downstream operations costs, and reliability. This approach also weighs operational approaches based on their effect on upstream design variables so that it is possible to readily, yet defensively, establish linkages between operations and these upstream variables. To avoid the large range of problems that have defeated previous methods of dealing with the complex problems of transportation design, and to cut down the inefficient use of resources, the method described in the document identifies those areas that are of sufficient promise and that provide a higher grade of analysis for those issues, as well as the linkages at issue between operations and other factors. Ultimately, the system is designed to save resources and time, and allows for the evolution of operable space transportation system technology, and design and conceptual system approach targets.

Fimognari, Peter↗

DOE OSTI2023

Investigation of Nanoparticle Degradation in Hydrogen Fuel Cell Systems through Automated Electron Microscopy

Proton exchange membrane fuel cells (PEMFC) are promising devices for the deployment of hydrogen-powered heavy-duty vehicles, providing a higher efficiency for similar driving range and fueling time than the existing ones. However, PEMFCs still encounter durability challenges mainly due to catalyst degradation in the cathode. Mitigating these performance losses requires a better understanding of the degradation mechanisms under heavy-duty accelerated stress tests (ASTs) [1]. Scanning transmission electron microscopy (STEM) combined with energy dispersive X-ray spectroscopy (EDS) are key tools for the analysis of Pt and PtCo nanoparticle size, spatial distribution and composition [2]. Electron tomography is also used to determine the rate and type of degradation of catalyst nanoparticles as a function of their position on the carbon support. In this work, automated data acquisition software, paired with a custom Python code, have been used to study the effect of different accelerated stress tests (ASTs) on nanoparticle coarsening [2]. Figure 1 shows high-angle annular dark-field (HAADF)-STEM images and EDS maps comparing the cathodes of membrane electrode assemblies (MEAs) following an electrocatalyst AST performed under H2/N2 with that of the heavy-duty AST performed under H2/air. We will discuss how AST conditions affect considerably the spatial distribution of the nanoparticles across the electrode between the membrane and microporous layer. Although the median particle size increased more in the MEA aged under the heavy-duty AST, as determined using a high-throughput image analysis, the quantitative EDS measurements demonstrate that the electrocatalyst AST resulted in more Pt and Co dissolution from the cathode, which is another important indicator of electrocatalyst degradation. We will further present the impact of the relative humidity (% RH) on the degradation mechanisms demonstrated using the same approach. Electron tomography has been used to distinguish the Pt nanoparticles residing on the carbon support surface (exterior) from those within the pore structure (interior) in order to determine the relative stability of interior and exterior nanoparticles. As shown in Figure 2, we will compare the Pt catalyst particle size at the beginning of test (BOT) and end of test (EOT), and discuss the importance of automating the electron tomography workflow, i.e. acquisition, reconstruction, and visualization, to increase sampling and determine the standard deviation of these measurement. The outlook for utilizing low-dose cryo-tomography for limiting damage to the catalyst, support, and especially proton-conducting ionomer will also be discussed [3].

Amichi, Lynda↗

NASA NTRS1998

First- and Second-Order Sensitivity Analysis of a P-Version Finite Element Equation Via Automatic Differentiation

Sensitivity analysis is a technique for determining derivatives of system responses with respect to design parameters. Among many methods available for sensitivity analysis, automatic differentiation has been proven through many applications in fluid dynamics and structural mechanics to be an accurate and easy method for obtaining derivatives. Nevertheless, the method can be computational expensive and can require a high memory space. This project will apply an automatic differentiation tool, ADIFOR, to a p-version finite element code to obtain first- and second- order then-nal derivatives, respectively. The focus of the study is on the implementation process and the performance of the ADIFOR-enhanced codes for sensitivity analysis in terms of memory requirement, computational efficiency, and accuracy.

Hou, Gene↗

DOE OSTI2020

Razorback – A reactor transient analysis code for large rapid reactivity additions in a natural circulation research reactor

Research reactors play an important role in higher education, scientific research, and medical radioisotope production around the world. It is thus important to ensure the safety of facility workers and the public. This work presents a new reactor transient analysis code referred to as Razorback. The code has been developed for the evaluation of large rapid reactivity addition in research reactors. Its initial focus is the Annular Core Research Reactor (ACRR) at Sandia National Laboratories. Results have been validated against ACRR pulse operations. Razorback models the reactor kinetics, fuel element heat transfer, fuel element thermal expansion, and natural circulation coolant channel thermal-hydraulic response. Simulation results for ACRR pulse operations are shown to agree very well with operational data obtained from the ACRR. Finally, Razorback is expected to be a valuable tool for ACRR pulse performance prediction and ACRR reactor safety analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

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