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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 397 records · Page 22

Production Agency Quality Assurance Management Execution Strategy [Thesis]

There are multiple federal directives that Los Alamos National Laboratory (LANL) must follow for the proper implementation of quality assurance, strategic planning, and execution of manufacturing and surveillance operations. Recent assessments identified that manufacturing in all processing areas is dynamic due to influencing scope changes, design modifications, funding adjustments, and staff attrition. In response, this project was started to develop a comprehensive PAQ execution strategy to support the success of LANL’s manufacturing mission. This project’s method for developing an updated architecture was to create an integrated, flexible, reliable, and agile strategic process. The execution plan has five deliverables: 1) an integrated schedule view of PAQ work scope, 2) a resource management plan that aligns with the required scope, 3) a metrics monitoring dashboard, 4) a project management plan for sustaining NAP 401.1A implementation, and 5) a risk management plan. The research design is a mixed-method approach focused on data collection for each deliverable. The methodology entails qualitative and quantitative research, metrics monitoring, data analysis, and the creation of a dashboard. The qualitative methods used include literature reviews and interviews. The quantitative methods include resource, financial, schedule and survey data analysis. Preliminary and final results were peer reviewed by subject matter experts both within the ALDWP organization and deployed support.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Expanding the composition of polyhydroxyalkanoates produced by an industrial host: CRADA 505 [Abstract only]

The Agile BioFoundry (ABF) is a multi-national lab consortium funded by the Department of Energy’s Bioenergy Technologies Office that has developed a biofoundry that enables the rapid deployment of bioproducts into the market. Working with two ABF laboratory members (National Renewable Energy Laboratory (NREL) and Pacific Northwest National Laboratory (PNNL), Danimer will develop bacterial strains to produce PHAs with different compositions aimed at expanding Danimer’s product offerings. This project will enable the ABF to contribute to the development of a high-profile, commercial product that falls squarely in the DOE mission space and has strong potential to have meaningful benefit both to the US economy and the environment.

09 BIOMASS FUELS↗

Developing and testing capabilities for simulating cases with heterogeneous land/water surfaces in a novel atmospheric large eddy simulation code

Large eddy simulations (LES) are the primary computational tool used to simulate high Reynolds number three-dimensional turbulent flows. In the context of earth system sciences, particularly atmospheric science, LES are uniquely able to resolve the scales of atmospheric motion that are key for building process-level understanding of boundary layer turbulence, atmosphere-surface interaction, clouds, and cloud-aerosol-chemistry interaction, and are a core limited-area modeling capability. Increasing demands are being placed on LES code bases as growing high performance computing resources allow LES to address a wider range of scientific problems. In addition, LES are emerging as a source of high-quality machine learning training data. These demands necessitate an agile and extensible code base that allows the model to quickly adapt to emergent needs. However, LES have largely relied on legacy Fortran code bases that lack flexibility. A new, Python-based LES capability called Predicting INteractions of Aerosol and Clouds in Large Eddy Simulation (PINACLES) has been developed as part of the Department of Energy’s Earth System Model Development (ESMD) program area’s Enabling Aerosol-cloud interactions at Global convection-permitting scalES (EAGLES) project. PINACLES was developed from the ground up with a philosophy of maximizing scientific throughput, by attempting to optimize for both model throughput and software extensibility. The initial development of PINACLES delivered a state-of-the-art idealized LES capability solving the non-hydrostatic anelastic equations of motion with doubly periodic boundary conditions and idealized homogenous surface boundary conditions. Here we provide a final report on the outcomes of a fiscal year 2021 Seed Laboratory Directed Research Project that extended PINACLES in two key ways. First, PINACLES was coupled to a state-of-the-art land surface model enabling it to simulate spatially inhomogeneous land-atmosphere interactions that are known to control key atmospheric processes. Second, the dynamical core of PINACLES was modified to permit non-periodic boundary conditions. This model enhancement enables simulation of realistic cases with boundary conditions prescribed from atmospheric reanalysis and enables nested simulations conducted on a hierarchy of computational domains with increasing resolution. Together, these extensions to PINACLES make it a formidable modeling capability and expand its potential application to diverse components of DOE’s atmospheric science portfolio.

42 ENGINEERING↗

Materials Dynamics

The Materials Dynamics area of leadership focuses on understanding process-structure-properties-performance (PSPP) relationships for the extreme conditions of dynamic loading. This research encompasses controlled synthesis of materials to meet dynamic performance requirements and entails computational coupling across length and time scales for three-dimensional microstructure modeling. For this leadership area, we define dynamic loading as strain rates ≥ 10 3 /s and often, high pressures. A key grand challenge of this area is to predict and measure the evolution of microstructural phases, defect structures, and electronic structure under dynamic conditions while also measuring local temperature to understand transition states. Solving this challenge will require agile, multi-dimensional data analysis and interpretation capability.

36 MATERIALS SCIENCE↗

Advanced Measurement and Visualization Techniques for High-Temperature Heat Pipe Experiments

This report conducts a preliminary investigation of the available literature and summarizes some potential advanced measurement and visualization techniques for operating high-temperature heat pipe (HP) that can be implemented to support the United States (U.S.) Department of Energy (DOE) Microreactor Program (MRP). The primary objective for the extensive literature research is to investigate the possibilities and feasibility for the design and construction of an advanced experimental test facility with the aim of producing high-fidelity high-resolution heat pipe data during its operation. Based on the existing HP test facilities at Idaho National Laboratory (INL)—including the Single Primary Heat Extraction and Removal Emulator (SPHERE) and the Microreactor Agile Non-Nuclear Experimental Test Bed (MAGNET)—further efforts will be made to examine the technical feasibility to HP measurements and support the research, development, and demonstration (RD&D) process for an HP-cooled microreactor. Continuing collaborations with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, other research institutes and universities are considered to be extremely important so that the experimental facility and resultant database can satisfy the validation needs of advanced heat pipe modeling codes being developed under DOE NEAMS program.

42 ENGINEERING↗

DOE COVID-19 Data Curation Effort: Overview of Initial Data Collection Coverage (March - June 2020)

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery, but only at the state level. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a count level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes combined with the unpredictable shifts in data format meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. To keep up, the team had to scale up staff and widen its approach for capture and storage. The DOE COVID-19 data collection effort resulted in over 11 million data points being collected, covering over 13,000 unique geographies and over 2,000 unique attributes that spanned predominantly from early March through the end of June 2020.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

University Pipeline (with UNM) for Criticality Safety Professionals [Slides]

The scope of the University Pipeline is to provide students with knowledge of NCS and to inspire students to pursue a career in NCS after graduation. There are several benefits of the University Pipeline: reduced training time and costs; interested students that naturally self-sort and pursue the discipline at the university level; and a pipeline of criticality safety candidates readily available within the DOE Complex so that unexpected organizational or mission changes can be reacted to with increased agility.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Model-Form Epistemic Uncertainty Quantification for Modeling with Differential Equations: Application to Epidemiology

Modeling real-world phenomena to any degree of accuracy is a challenge that the scientific research community has navigated since its foundation. Lack of information and limited computational and observational resources necessitate modeling assumptions which, when invalid, lead to model-form error (MFE). The work reported herein explored a novel method to represent model-form uncertainty (MFU) that combines Bayesian statistics with the emerging field of universal differential equations (UDEs). The fundamental principle behind UDEs is simple: use known equational forms that govern a dynamical system when you have them; then incorporate data-driven approaches – in this case neural networks (NNs) – embedded within the governing equations to learn the interacting terms that were underrepresented. Utilizing epidemiology as our motivating exemplar, this report will highlight the challenges of modeling novel infectious diseases while introducing ways to incorporate NN approximations to MFE. Prior to embarking on a Bayesian calibration, we first explored methods to augment the standard (non-Bayesian) UDE training procedure to account for uncertainty and increase robustness of training. In addition, it is often the case that uncertainty in observations is significant; this may be due to randomness or lack of precision in the measurement process. This uncertainty typically manifests as “noisy” observations which deviate from a true underlying signal. To account for such variability, the NN approximation to MFE is endowed with a probabilistic representation and is updated using available observational data in a Bayesian framework. By representing the MFU explicitly and deploying an embedded, data-driven model, this approach enables an agile, expressive, and interpretable method for representing MFU. In this report we will provide evidence that Bayesian UDEs show promise as a novel framework for any science-based, data-driven MFU representation; while emphasizing that significant advances must be made in the calibration of Bayesian NNs to ensure a robust calibration procedure.

97 MATHEMATICS AND COMPUTING↗

Responses to Nonconformances, AIHA Onsite Assessment August 29-31, 2022

A nonconformance report (NCR) was not generated to document the original Beryllium (Be) positive result being changed to negative due to an oversight by the lab. The sample was re-analyzed on the Agilent ICP-OES which includes software to deal with interferences and resulted in a negative for Be. In order to determine the cause of the false positive, which was originally thought to be due to the Titanium interference in the sample, the laboratory analyzed a blank and a reporting limit standard with 5 ppm and 10 ppm of Titanium added in. These were analyzed on the Perkin Elmer ICP 5 instrument to see if the positive Be was reproducible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transportation Plan Los Alamos National Laboratory FY2023

Los Alamos National Laboratory’s (LANL’s) mission expansion is expected to increase the workforce population (badge holders) to more than 18,000 by 2028. Before the COVID-19 pandemic, traffic congestion was notable and was impeding commuting workers in the forms of traffic congestion, travel delay, inconvenience, frustration, and time lost hunting for parking near an office location or programmatic operation. The Laboratory transportation strategy is moving toward transit-based commuting and not status quo expansion of onsite parking and roadways to serve this growing workforce. This plan addresses a multi-faceted transit and transportation solution. The body of the plan describes each aspect of this solution and concludes with a recommended set of Fiscal Year 2023 (FY23) investments planned as next steps toward implementation. The broad strategy is to offer agility and program depth for services and systems that can enable LANL to confidently invest, monitor performance, seek participant feedback, and make necessary adjustments.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Physical Sciences Vistas: Perspectives on Simultaneous Excellence (Issue 1, 2023)

The issue begins with an article highlighting Physics Division’s involvement in diagnostic development that led to the measurement of ignition at the National Ignition Facility at Lawrence Livermore National Laboratory. Subsequent articles transition to some of the materials development occurring in Sigma, Materials Science and Technology, and Materials Physics and Applications divisions. This is inclusive of the development of next generation moderator materials as an enabling technology of small modular reactors. These materials will most likely be qualified at a facility at Idaho National Laboratory. The issue also highlights development of novel, additively manufactured foams for next generation weapons. This work is being done in close collaboration with the Kansas City National Security Campus to enable transition of materials development to production in a more agile way. Finally, an article describes Accelerator Operations and Technology Division’s hard work to replace the legacy remote instrumentation and control equipment at the Los Alamos Neutron Science Center (LANSCE) with a modern control system. The story discusses how that engineering success will lead to improved sustainability of the beam during operation and thus a better experience for all of our collaborators and partners in the LANSCE user program.

36 MATERIALS SCIENCE↗

PipeSight: A High-Performance Computing Platform for Pipeline Integrity Management

The Phase I feasibility study completed as part of this project has led to a number of innovative technologies being developed and has laid the foundation for a successful Phase II effort to commercialize a platform for managing the integrity of pipelines for the damage mechanisms of the new, hybrid-energy based economy. To ground the development efforts and direction of the project, an extensive market research and customer discovery effort was undertaken early in Phase I. Through this effort, a number of pipeline owners and operators were interviewed, and the following key findings were discovered about the pipeline industry: • Small pipeline operators do not have the central engineering groups necessary to perform their own independent analysis of inspection data, but instead rely on summarized tally sheets provided to them by inspection service providers. • The time it takes to go from an inspection to a completed engineering assessment, even for small segments of pipeline, can take anywhere from 30-120 days. During this delay, critical threats can (and have been known to) cause failures. • Uncertainty is often not accounted for in the assessment of pipeline integrity. The tally sheets provided by third-party service providers are almost always deterministic in nature, identifying threats that present a concern only to the current (not the future) integrity of the pipeline. • It is uncommon to apply the latest technologies to perform advanced assessments of damaged pipelines. There is a desire to use more advanced analysis capabilities to assess threats. Many pipeline operators indicated that they would often excavate a pipeline to perform an inspection and find that the damage was not as bad as they anticipated, thus using limited resources unnecessarily. Companies are not consistent in their use of inspection data to determine corrosion rates, and those that do only calculate deterministic corrosion rates. • The industry has prominently relied on time-based inspections but has recently started to transition to risk-based inspections. However, there appears to be no uniform guidance on how to do so while properly accounting for all sources of uncertainty. • Companies are not storing inspection data in a manner that allows for the ready determination of temporal trends. • Predictive maintenance principles and practices are beginning to be used by early adopters • Some pipelines are being re-purposed to transport different process fluids than they were designed for, e.g., H 2 and CO 2 rich process streams to serve the new hybrid-energy based economy, which are presenting new integrity concerns for the existing pipeline network that crisscrosses the United States. As a result of these discoveries, we were able to target the development efforts in Phase I to best serve the needs of the industry. In Phase I, we developed a way to correlate multiple large-scale scans of the pipeline to determine a probabilistic corrosion rate that accounts for all sources of error and uncertainty in the inspection process. This probabilistic corrosion rate can be used to predict the future thickness distribution of the pipe wall. We demonstrate how this analysis may be performed in an analytical fashion and has been implemented in such a manner that it can be readily distributed using GPU computing through integration of the Kokkos programming model. We also make a very novel extension of the analytical corrosion rate model to Bayesian Networks (an explainable AI technique) that can account for non-parametric distributions of corrosion rates. With the predictions made above for the probabilistic corrosion rate and corresponding future distribution of the pipe wall thickness, we can assess the integrity of the pipeline through the use of a probabilistic engineering assessment. We developed a novel screening data analysis approach that can rapidly identify ‘hotspots’ (local thin areas) where the integrity of the pipeline is a concern. Once more, we implemented this screening approach in C++ to leverage GPU computing via the Kokkos programming model. After the critical hotspots are identified, we developed a program that can automatically generate an advanced finite element model of the damaged regions. Since the number of damaged regions that require advanced analysis can number in the thousands, we integrated an open-source container-native workflow engine for orchestrating parallel jobs on the cloud. Initially, these advanced numerical models were only designed to account for loading due to internal pressure. However, in a slight pivot from the initial Phase I proposal, we developed a complete pipe stress analysis program (called Simflex) which can simulate the complete pipeline and its response to thermal expansion, pressure, thermal bowing, weight, wind, earthquake, support displacement, support friction and external forces. This pipe stress analysis program was written generically, to handle any piping system, but contains the features needed to model long pipelines (i.e., it incorporates a model for soil mechanics and can account for the nonlinear boundary conditions necessary to simulate long underground pipelines). This pipe stress analysis program can simulate any segment of the pipeline (simple or complex) under any set of conditions and loads, to determine the supplemental loads (axial forces and bending moments) at the location of damage. This enables the most accurate state of stress to be accounted for in the pipeline, which can prove critical when evaluating the integrity of a damaged region. In the process of developing the technologies to perform the integrity assessment of the pipeline, we also extended one of the industry standard approaches for performing the assessment of local thin areas that extend more in the circumferential direction than the longitudinal direction of the pipeline. This approach was presented to the API 579-1/AS ME FFS-1 steering committee in November 2021 for consideration in the next edition of the industry standard for Fitness-For-Service (expected to be released in 2023). To help pipeline operators make decisions with the results on any integrity assessment, we developed a new approach to the life-cycle management of pipelines which uses a Bayesian Decision Network. The network is designed to help pipeline operators plan and prioritize inspection activities and ultimately make smarter, more cost-effective decisions. The Bayesian approach accounts for all sources of uncertainty and carries them through to the final optimal decisions, providing a probabilistic framework for optimizing inspection intervals. The proof-of-concept networks developed in the feasibility study are complete, verified, and are focused on a subset of the pipeline. To expand this novel approach to the scale necessary for an entire network of pipelines in Phase II, we will leverage the DOE-funded Bengi solver for industrial-scale decision making with Bayesian Networks [22]. Once implemented, we will be able to provide the pipeline industry with a much-needed tool for optimal inspection planning using truly explainable artificial intelligence (XAI). To handle all of these advanced capabilities into a cloud-based platform, the architecture of the Equity Engineering Cloud (EEC) was extended to include Argo Workflows, a framework capable of distributing and managing a massive number of jobs that consume their own resources, such that thousands of serial finite element simulations can be run in parallel. As part of this substantial undertaking, we also integrated Argo Continuous Delivery (CD) into the EEC, to aid with the rapid prototyping and iterations that will be imperative to the success of the PipeSight platform’s Agile development process in Phase II. As part of the pipe stress analysis program, we also developed a custom visualizer that leverages the DOE-funded VTK visualization library. We added custom contouring capabilities and a means for interacting visually with both the inputs and outputs of the pipe stress analysis program. We also developed routines for automating the post-processing of the finite element simulations to determine if any failure criteria are met and to visualize the deformations, stresses and strains in ParaView using the exodus II file format (a subset of netCDF).

24 POWER TRANSMISSION AND DISTRIBUTION↗

Engineering Computational Practices (Rev. 1)

This manual will attempt to motivate the use of an automated build system for the purposes of computational science and engineering. As part of this motivation, the surrounding computational practices of version control, documen tation, compute environment management, and regression testing will also be addressed as applied to the practice of computational engineering. Specifically, this manual intends to motivate the adoption of these traditional software engineering practices for use in research and production engineering simulation projects. This manual is not the first such effort in the greater scientific computing community. In fact, the authors relied heavily on the lesson plans of the Software Carpentry, established to teach computing skills to researchers in 1998. As the intention for this manual is to lay out fundamental practices of engineering computing, it will not attempt to fully teach the underlying concepts and will instead reference the well designed lesson plans of the Software Carpentry. Where possible, this manual will explain to general computing practices and concepts and limit discussion of specific software implementations to examples or vehicles for practice in concrete application. The specific software taught by the Software Carpentry curriculum is an excellent starting point to learn the core concepts of computational engi neering. However, the authors have found that applications to engineering simulation and analysis require translation of these software development concepts into the language and workflows of computational engineers. Adopting these computational tools may require engineers to re-imagine their workflows in some combination of traditional engineer ing and software concepts. It has also been necessary to extend existing software build systems for engineering practices beyond the simple wrap ping of engineering software execution. Where necessary, examples of specific software and their method of extension to engineering simulations will be given, with reference to the User Manual for recommended practical use. Where this manual relies on specific implementation examples, it should be understood that the practicing engineer may find that different software is more amenable to their specific work. It is always the overall collection of computational practices is more important than any specific software implementation. The ability to recognize which concepts are implemented by a software package will make a practicing engineer agile to changing project needs, computing resources, numeric solvers, programming languages, and even available funding.

42 ENGINEERING↗

HYBRID Modeling of DETAIL Experimental Facility

Idaho National Laboratory continues to be at the forefront of advanced reactor systems and integrated energy systems research. Through the Thermal Energy Distribution System (TEDS) and Microreactor Agile Non-nuclear Test Bed (MAGNET) experiments in the Dynamic Energy Transport and Innovation Laboratory (DETAIL) within the Engineering Systems Laboratory, a mix of digital and physical testing systems can explore the operation of thermally and electrically integrated systems. Modeling of these systems has been done using the HYBRID modeling repository of the Integrated Energy Systems program. DETAIL also contains high temperature steam electrolysis (HTSE) units to produce hydrogen and generate the load imposed on MAGNET and TEDS. The dynamic modeling capabilities within the IES program describe the DETAIL components as-built and can be used to evaluate controls, process flows, and overall system conditions.

08 HYDROGEN↗

Digital Twin Development of FASTR

This work package is focused on creating a digital twin (DT) of the Facility to Alleviate Salt Technology Risks (FASTR) experiment. FASTR is a high-profile facility tasked with maturing molten salt applications such as liquid salt energy storage, concentrated solar power facilities, and molten salt cooling systems supporting other advanced reactor technologies, all of which may be incorporated as components within the Integrated Energy Systems (IES) program. As part of creating a digital twin (DT), verification and validation (V&V) has been performed for the physics-based model, and gaps have been identified. Additionally, a preliminary integration of the FASTR model has been completed with the existing physics-based model of the Thermal Energy Distribution System (TEDS)/Microreactor AGile Non-nuclear Experimental Testbed (MAGNET) facility at Idaho National Laboratory (INL). A Functional Mock-up Unit (FMU) of the physics-based system model and a reduced-order model (ROM) were both used to test for a preliminary hardware in the loop operation when the physical loop was offline. Future tasks could include improving the physics-based model to better match the available experimental data, improving the hardware in the loop integration, and improving the integration with the TEDS model.

14 SOLAR ENERGY↗

REYNO: A Reactive Hydrodynamics Modeling Suite

REYNO is a Python library that is primarily designed as a platform for the agile development and testing of novel reactive flow models. Equations of state and multi-step rate laws can be implemented using the provided class hierarchy with different thermodynamic closure conditions. The library includes a one-dimensional Lagrangian hydrodynamic solver to simulate multi-material reactive or inert problems in planar, cylindrical, or spherical coordinates. Custom time-dependent boundary conditions are also available for problems such as ramp compression. This document describes the different numerical methods and algorithms that are included in REYNO.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

CSAPR2 Optimized Convective Cell Tracking Data during TRACER

One of the challenges in analyzing convective cell properties is to observe the quick evolution of individual convective cells. While the operational radar data provide a volumetric data set to analyze radar observables of convective precipitation clouds, previous studies also suggested the quick evolution of cell life cycle that might not be captured by conventional radar volume scan strategies that take ~5-7 minutes. Aiming at enhancing our understanding of the links between convective cloud kinematic and microphysical processes as well as life cycles, the Tracking Aerosol Convection Interactions ExpeRiment (TRACER; Jensen et al. 2019) was conducted at Houston, Texas, in 2022. The TRACER campaign deployed the 2nd generation C-band Scanning ARM Precipitation Radar (CSAPR2), which performed frequent updates of range height indicator (RHI) and sector plan position indicator (PPI) scans to track individual convective cells every < 2 minutes, guided by a new cell tracking framework, Multisensor Agile Adaptive Sampling (MAAS; Kollias et al. 2020). This allows for capturing fast-evolving radar observables. We provide the processed CSAPR2 cell tracking data in CfRadial format collected during the TRACER field campaign from June to September 2022. The data files include processed radar variables: noise-masked reflectivity and differential reflectivity corrected for rain attenuation and systematic biases, noise-masked dealiased radial velocity, specific differential phase, locations of target cells (latitude, longitude, radar range), and radar-echo classification. Figure 1 provides an example of a 3D image of CSAPR2 reflectivity from the lowest PPI scan and an RHI scan after data processing.

54 ENVIRONMENTAL SCIENCES↗

MAGNET Scaling and Methodology

The purpose of this study was to analyze the heat transfer of the Microreactor Agile Non-nuclear Experimental Testbed (MAGNET) within the Dynamic Energy Transport and Integration Laboratory (DETAIL) and develop scaling equations and models to couple with other systems. Hierarchical Two-Tiered Scaling (H2TS) methodologies were applied to DETAIL’s MAGNET facility to scale and project data sets while conserving the observed behavior based on first principles. The MAGNET system was successfully scaled using H2TS and multiple system parameters were determined or calculated from experimental data including steady state and transient data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗