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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 289 records · Page 16

VALIDATION OF A RELAP5 POINT KINETICS MODEL OF TREAT

Development of advanced nuclear fuels requires testing of fuel specimens under various power-cooling mismatch conditions. The Transient Reactor Test (TREAT) facility at the Idaho National Laboratory will be used to provide transient nuclear heating of fuel specimens. Experiments will be conducted to support assessment of accident tolerant fuel designs being proposed for light water reactor applications. The experiments to be conducted at TREAT will provide data for the assessment of advanced, multi-physics computer codes. However, before the experiments can be performed, calculations are required to demonstrate that they will meet program objectives and that they can be performed safely in TREAT in the event of an unplanned reactivity insertion accident that occurs during the experiment. The safety calculations for the first experiments need to be performed in the next year and therefore will be performed with an existing computer code, RELAP5-3D. A point kinetics model of TREAT was developed for RELAP5-3D. The purpose of the model is to calculate the reactor power during experiments and to support the accident analyses of those experiments. The RELAP5-3D model was validated using data from nine TREAT experiments conducted previously. The RELAP5-3D model generates results that are in reasonable agreement with measured values of maximum core power, energy deposition, and maximum fuel temperature for a wide range of reactivity insertions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Chapter 5: Integration of Renewable Energy Technologies in Buildings and Cities

Sustainable Energy Technologies, such as the solar, wind, and waterpower systems described in other chapters of this book, need to be integrated into our energy systems to expand access to energy while avoiding harmful effects on the environment. The existing utility system or 'grid' is a network that consists of components for generation, transmission, distribution, and control of electric power from producers (also called 'resources') to consumers (also called 'loads' or 'demand'). Public safety necessitates that the grid be reliable, and public policy requires that grid power be affordable and broadly accessible. Much of the existing power grid was constructed before the advent of modern information technology for controls and automation. The existing grid is facing new challenges related to increases in power demand, complexity in managing more diverse and distributed resources, power quality issues introduced by 'non-linear' loads (that have parasitic inductance and capacitance like LED lights or computers), physical and cybersecurity threats, and challenges to the existing economic model of costs and revenues. Increases in power demand include not only growth in population and per-capita electricity use, but also call for electricity to meet the need for heating and transportation as well. Electric vehicles are a rapidly growing example of this electrification of previously fossil-fueled uses. [Your author's Chevrolet Volt vehicle uses about the same amount of electricity as his house, around 300 kWh/month. Fortunately, both are served with solar photovoltaics (PVs)]. Therefore, there is an immediate need for improvement toward a reliable, self-regulating, efficient, and economical grid system that will allow the integration of renewable distributed power generation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Development of Transient Coupled Chemical-Thermal-Fluids Simulation for Unsealed Aluminum-Clad Spent Nuclear Fuel Storage Canister

This study examines a preliminary three-dimensional (3D) multi-physics computational fluid dynamics (CFD) model of the unsealed canisters containing aluminum-clad spent nuclear fuel from INL’s ATR in the irradiated fuel storage facility. This 3D CFD model considers fully resolved fuel plates in an unsealed canister with small mass exchange with surrounding air as time evolves in the simulation and contains a network of chemical reactions to consider due to several of the side reactions occurring in the presence of water vapor, nitrogen, oxygen and carbon dioxide rather than in helium backfilled DOE standard canisters. Prior to the CFD modeling, the full set of chemical reactions under these conditions was analyzed, reduced, and refit to a more manageable number of equations for the computational efficiency of the 3D CFD simulation. To deal with the long time-scale of interest for tracking the possible buildup of trace species such as nitric acid, NOx, and hydrogen, a segregated time stepping algorithm is used, wherein the velocity field is only updated periodically, and assume to be in a pseudo steady state. This study first examines the theory of the model, workflow to establish radiolysis reaction network, and initial simulations of the evolutions of thermal fields, hydrogen gas and nitric acid concentrations within unsealed canisters in conditions relevant to the INL INTEC CPP-603 facility over a long period of time.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of Transient Coupled Chemical-Thermal-Fluids Simulation for Unsealed Aluminum-Clad Spent Nuclear Fuel Storage Canister

This study examines a preliminary three-dimensional (3D) multi-physics computational fluid dynamics (CFD) model of the unsealed canisters containing aluminum-clad spent nuclear fuel from INL’s ATR in the irradiated fuel storage facility. This 3D CFD model considers fully resolved fuel plates in an unsealed canister with small mass exchange with surrounding air as time evolves in the simulation and contains a network of chemical reactions to consider due to several of the side reactions occurring in the presence of water vapor, nitrogen, oxygen and carbon dioxide rather than in helium backfilled DOE standard canisters. Prior to the CFD modeling, the full set of chemical reactions under these conditions was analyzed, reduced, and refit to a more manageable number of equations for the computational efficiency of the 3D CFD simulation. To deal with the long time-scale of interest for tracking the possible buildup of trace species such as nitric acid, NOx, and hydrogen, a segregated time stepping algorithm is used, wherein the velocity field is only updated periodically, and assume to be in a pseudo steady state. This study first examines the theory of the model, workflow to establish radiolysis reaction network, and initial simulations of the evolutions of thermal fields, hydrogen gas and nitric acid concentrations within unsealed canisters in conditions relevant to the INL INTEC CPP-603 facility over a long period of time.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

BETO 2021 Peer Review - 3.4.2.302 - Process Scale Up for Production Environments

This project supports the Department of Energy's Bioenergy Technology Office mission of transitioning bioenergy technologies to market by de-risking integration, developing scaling relations and modeling that de-risks scale up, and providing a feedback loop with lower TRL projects to understand process and technology fundamentals. Two objectives were pursued during this merit cycle. First, the Thermal and Catalytic Process Development Unit (TCPDU), a 0.5 ton/day pilot plant, was used to validate kinetic models developed by the Consortium for Computational Physics and Chemistry (CCPC). Validating the models accurately predict product yields and composition is a first step toward de-risking a common industry failure - taking too large of steps between scales. In addition, these models help with design and troubleshooting of new unit operations for the TCPDU. The second objective was to conduct the FY22 verification campaign around ex situ CFP. The primary challenge of this effort was the coordination of multiple national labs and projects. This was overcome by a dedicated leadership role and effective communication strategy between the projects. Currently the project is undergoing a pivot based on a stagegate decision to not conduct the verification campaign in the TCPDU and it is focused on closing out the CFP technology at a smaller scale by the end of the current fiscal year.

BIOMASS FUELS↗

An Efficient Tool-Set for Modeling Containment Ventilation in Very Complex Facilities - 17215

The applicability of a multi-zone ventilation analysis program, CONTAM, to complex radioactive waste material handling or processing plants is evaluated. Validation results are based on simulations from three-dimensional multi-physics computational fluid dynamics. Insight into the application limits of CONTAM and conditions under which the use of higher fidelity tools are required are also discussed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of Transient Coupled Chemical-Thermal-Fluids Simulation for Unsealed Aluminum-Clad Spent Nuclear Fuel Storage Canister - 19273

This study examines a preliminary three-dimensional (3D) multi-physics computational fluid dynamics (CFD) model of the unsealed canisters containing aluminum-clad spent nuclear fuel from INL's ATR in the irradiated fuel storage facility. This 3D CFD model considers fully resolved fuel plates in an unsealed canister with small mass exchange with surrounding air as time evolves in the simulation and contains a network of chemical reactions to consider due to several of the side reactions occurring in the presence of water vapor, nitrogen, oxygen and carbon dioxide rather than in helium backfilled DOE standard canisters. Prior to the CFD modeling, the full set of chemical reactions under these conditions was analyzed, reduced, and refit to a more manageable number of equations for the computational efficiency of the 3D CFD simulation. To deal with the long time-scale of interest for tracking the possible buildup of trace species such as nitric acid, NOx, and hydrogen, a segregated time stepping algorithm is used, wherein the velocity field is only updated periodically, and assumed to be in a pseudo steady state. This study first examines the theory of the model, workflow to establish radiolysis reaction network, and initial simulations of the evolutions of thermal fields, hydrogen gas and nitric acid concentrations within unsealed canisters in conditions relevant to the INL INTEC CPP-603 facility over a long period of time. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Toward inclusive observables with staggered quarks: the smeared $R$~ratio

Inclusive hadronic observables are ubiquitous in particle and nuclear physics. Computation of these observables using lattice QCD is challenging due the presence of a difficult inverse problem. As a stepping stone to more complicated observables, we report on progress to compute the smeared $R$~ratio with staggered quarks using the spectral reconstruction algorithm of Hansen, Lupo, and Tantalo. We compare staggered-quark results on two ensembles to domain-wall results on a single ensemble and to the Bernecker-Meyer parameterization. This work utilizes two ensembles generated by the MILC collaboration using highly improved staggered quarks and one ensemble generated by the RBC/UKQCD collaboration using domain-wall quarks. Possible strategies for controlling opposite-parity effects associated with staggered quarks are discussed.

Blum, Thomas↗

Understanding Microstructural Evolution During Rapid Heat Treatment of Microalloyed Steels Through Computational Modeling, Advanced Physical Simulation, and Multiscale Characterization Techniques

An AISI 1045 steel modified with vanadium (V) and niobium (Nb) was studied to evaluate microstructural conditioning prior to and throughout a rapid heat treat process. In order to accomplish this, both computational and physical simulation techniques have been employed with the goal of assessing the microstructural evolution in a medium-carbon bar steel during the rapid austenitization and quenching procedures involved in an induction hardening process. The appropriate thermal profiles for induction hardening were obtained through finite element modeling using Flux 2D software. Physical simulations of the induction hardening process were carried out using a Gleeble{sup ®} 3500. Analysis of prior austenite grain size is complemented by observation of nanoscale carbonitride precipitation via transmission electron microscopy, scanning transmission electron microscopy, and high-energy synchrotron small-angle x-ray scattering. Through a combination of characterization techniques, this study presents a deeper understanding of nano- and microstructural changes occurring in a microalloyed steel during an induction hardening process.

36 MATERIALS SCIENCE↗

Quantum Computing for Theoretical Nuclear Physics, A White Paper prepared for the U.S. Department of Energy, Office of Science, Office of Nuclear Physics

Tremendous excitement exists among quantum computing enthusiasts as we witness the rapid evolution of quantum computing devices toward early practical implementation. Importantly, algorithm developments suggest that qubit devices have the potential to solve quantum many-body and quantum field theory problems of relevance to various research directions within the Department of Energy Office of Science and National Science Foundation. While exascale platforms represent the current horizon of excellence in computing, quantum computing provides the technology that lies beyond this horizon and opens the door to new vistas of theoretical endeavor. During a recent workshop at the Institute for Nuclear Theory, a group of 39 scientists from academia, government, national laboratories, and industry gathered to discuss the future of quantum computing for nuclear physics. Researchers described the basic scientific challenges in quantum chromodynamics and quantum many-body problems that could be addressed utilizing the power of quantum computing in the future. The group also discussed mechanisms for developing quantum-computing algorithms specifically for nuclear physics applications. This White Paper provides a synopsis of the workshop discussions, and suggests possible activities that might be supported as part of a vibrant pilot program of nuclear physics research in this area.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Physical considerations governing computation of turbulent flows over bodies at large incidence

The physical aspects governing accurate numerical simulation of turbulent flows having large regions of crossflow separation are re-examined. Time-accurate, three-dimensional fine-grid Navier-Stokes solutions were obtained for turbulent subsonic and supersonic flows over a slender ogive-cylinder body of revolution at large angles of attack. These flowfields are complex and contain regions of crossflow separation and an organized leeward-side vortex structure. An algebraic eddy-viscosity turbulence model has been modified to correctly account for the effects of the vortices on the underlying viscous layers. The numerical results show that the vortical flow structure of both subsonic and supersonic high incidence flows are similar, and can be accurately treated by the turbulence model. As the angle of attack is increased, the effectiveness of the model increases since the influence of the vortices on the underlying boundary layer decreases.

Degani, David↗

Physical aspects of computing the flow of a viscous fluid

One of the main themes in fluid dynamics at present and in the future is going to be computational fluid dynamics with the primary focus on the determination of drag, flow separation, vortex flows, and unsteady flows. A computation of the flow of a viscous fluid requires an understanding and consideration of the physical aspects of the flow. This is done by identifying the flow regimes and the scales of fluid motion, and the sources of vorticity. Discussions of flow regimes deal with conditions of incompressibility, transitional and turbulent flows, Navier-Stokes and non-Navier-Stokes regimes, shock waves, and strain fields. Discussions of the scales of fluid motion consider transitional and turbulent flows, thin- and slender-shear layers, triple- and four-deck regions, viscous-inviscid interactions, shock waves, strain rates, and temporal scales. In addition, the significance and generation of vorticity are discussed. These physical aspects mainly guide computations of the flow of a viscous fluid.

Mehta, U. B.↗

The Future of High Energy Physics Software and Computing (V2.1)

Software and Computing (S&C) are essential to all High Energy Physics (HEP) experiments and many theoretical studies. The size and complexity of S&C are now commensurate with that of experimental instruments, playing a critical role in experimental design, data acquisition/instrumental control, reconstruction, and analysis. Furthermore, S&C often plays a leading role in driving the precision of theoretical calculations and simulations. Within this central role in HEP, S&C has been immensely successful over the last decade. This report looks forward to the next decade and beyond, in the context of the 2021 Particle Physics Community Planning Exercise ("Snowmass") organized by the Division of Particles and Fields (DPF) of the American Physical Society.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A graph theoretic framework for representation, exploration and analysis on computed states of physical systems

A graph theoretic perspective is taken for a range of phenomena in continuum physics in order to develop representations for analysis of large scale, high-fidelity solutions to these problems. Of interest are phenomena described by partial differential equations, with solutions being obtained by computation. The motivation is to gain insight that may otherwise be difficult to attain because of the high dimensionality of computed solutions. We consider graph theoretic representations that are made possible by low-dimensional states defined on the systems. These states are typically functionals of the high-dimensional solutions, and therefore retain important aspects of the high-fidelity information present in the original, computed solutions. Our method is rooted in regarding each state as a vertex on a graph and identifying edges via processes that are induced either by numerical solution strategies, or by the physics. Correspondences are drawn between the sampling of stationary states, or the time evolution of dynamic phenomena, and the analytic machinery of graph theory. A collection of computations is examined in this framework and new insights to them are presented through analysis of the corresponding graphs.

42 ENGINEERING↗

Transient Three-Dimensional Analysis of Nozzle Side Load in Regeneratively Cooled Engines

Three-dimensional numerical investigations on the start-up side load physics for a regeneratively cooled, high-aspect-ratio nozzle were performed. The objectives of this study are to identify the three-dimensional side load physics and to compute the associated aerodynamic side load using an anchored computational methodology. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics formulation, and a transient inlet condition based on an engine system simulation. Computations were performed for both the adiabatic and cooled walls in order to understand the effect of boundary conditions. Finite-rate chemistry was used throughout the study so that combustion effect is always included. The results show that three types of shock evolution are responsible for side loads: generation of combustion wave; transitions among free-shock separation, restricted-shock separation, and simultaneous free-shock and restricted shock separations; along with oscillation of shocks across the lip. Wall boundary conditions drastically affect the computed side load physics: the adiabatic nozzle prefers free-shock separation while the cooled nozzle favors restricted-shock separation, resulting in higher peak side load for the cooled nozzle than that of the adiabatic nozzle. By comparing the computed physics with those of test observations, it is concluded that cooled wall is a more realistic boundary condition, and the oscillation of the restricted-shock separation flow pattern across the lip along with its associated tangential shock motion are the dominant side load physics for a regeneratively cooled, high aspect-ratio rocket engine.

Wang, Ten-See↗