Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “computational physics”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 289 records · Page 16

On Spurious Numerics in Solving Reactive Equations

The objective of this study is to gain a deeper understanding of the behavior of high order shock-capturing schemes for problems with stiff source terms and discontinuities and on corresponding numerical prediction strategies. The studies by Yee et al. (2012) and Wang et al. (2012) focus only on solving the reactive system by the fractional step method using the Strang splitting (Strang 1968). It is a common practice by developers in computational physics and engineering simulations to include a cut off safeguard if densities are outside the permissible range. Here we compare the spurious behavior of the same schemes by solving the fully coupled reactive system without the Strang splitting vs. using the Strang splitting. Comparison between the two procedures and the effects of a cut off safeguard is the focus the present study. The comparison of the performance of these schemes is largely based on the degree to which each method captures the correct location of the reaction front for coarse grids. Here "coarse grids" means standard mesh density requirement for accurate simulation of typical non-reacting flows of similar problem setup. It is remarked that, in order to resolve the sharp reaction front, local refinement beyond standard mesh density is still needed.

Numerics↗

Uncertainty and Sensitivity Analysis of Afterbody Radiative Heating Predictions for Earth Entry

The objective of this work was to perform sensitivity analysis and uncertainty quantification for afterbody radiative heating predictions of Stardust capsule during Earth entry at peak afterbody radiation conditions. The radiation environment in the afterbody region poses significant challenges for accurate uncertainty quantification and sensitivity analysis due to the complexity of the flow physics, computational cost, and large number of un-certain variables. In this study, first a sparse collocation non-intrusive polynomial chaos approach along with global non-linear sensitivity analysis was used to identify the most significant uncertain variables and reduce the dimensions of the stochastic problem. Then, a total order stochastic expansion was constructed over only the important parameters for an efficient and accurate estimate of the uncertainty in radiation. Based on previous work, 388 uncertain parameters were considered in the radiation model, which came from the thermodynamics, flow field chemistry, and radiation modeling. The sensitivity analysis showed that only four of these variables contributed significantly to afterbody radiation uncertainty, accounting for almost 95% of the uncertainty. These included the electronic- impact excitation rate for N between level 2 and level 5 and rates of three chemical reactions in uencing N, N(+), O, and O(+) number densities in the flow field.

West, Thomas K., IV↗

Viability of Small Dimension Crew Quarters for Surface Habitation

During early planning for the Artemis program’s sustained phase of lunar activity, NASA planners have been held to work towards a NASA reference lunar lander concept. With this activity taking place prior to the awarding of a lander contract, NASA planners cannot assume which of several potential landers will be available. This has limited habitation team engineers to a 12-metric ton mass limit for the reference concept of the lunar Surface Habitat. Consequently, minimal approaches have been applied to many habitat systems and it is important to determine acceptable volume for crew quarters. A number of both NASA and non-NASA surface habitat concepts have proposed relatively small crew quarters due to this constraint. Consequently, there is a need to collect objective test data to confirm or refute the validity of small crew quarters. NASA-STD-3001 is looked to for guidance in its many standards but offers little to no help. While prior versions called for private habitation, the current version – Revision B – calls for “individual privacy” to “accommodate social retreat.” Proposed Revision C modifications change the language slightly to “accommodate sleep and social retreat.” This is not enough guidance to determine the size of a crew quarters or even its capabilities. Unfortunately, only a small number of US spacecraft have included crew quarters, primarily the International Space Station and the Skylab Space Station. The space shuttle orbiter sometimes flew a set of private bunks that some might consider a crew quarters. All of these are dramatically smaller than US standards for minimum jail cells. The first opportunity for NASA to test a small crew quarters in a surface habitat application has been created through the Exploration Atmospheres test series, which is evaluating human performance under reduced cabin pressures. The test is converting the 20-Foot Vacuum Chamber at Johnson Space Center into a habitat, with the lower level outfitted as an EVA test area and the upper two levels for human habitation. The test will place eight people (six test subjects and two technicians) inside the chamber for eleven days. All eight will sleep in private quarters during the test. Volume limitations in the chamber forced extremely small crew quarters, measuring approximately 2 meters in length, 0.85 meters in height, and 0.9 meters in width. The test cabin pressure of 8.2 psi and elevated oxygen also introduces significant material limitations, limiting outfitting options. Nonetheless, the crew quarters design requirements were to accommodate visual separation, auditory separation, olfactory separation, tactile separation, air flow control, lighting control, single person personal computing, physical work surface access, sleep accommodations, non-sleep rest/relaxation, meditation, stretching, two-person meetings, snacking, changing clothes, viewing appearance, video communication, and audio communication. This paper will detail the acceptability of the crew quarters as measured in the October 2021 Exploration Atmosphere test. Based on this data, the viability of the type of crew quarters used in the 20 Foot Chamber will be assessed. Design recommendations for a 30-60-day Surface Habitat crew quarters will be provided, along with recommendations for future testing.

Crew Quarters↗

MultiMatTest, Version 1.0

MultiMatTest is a demonstration code to support a talk and paper titled A Comparative Study of Multi-material Data Structures for Computational Physics Applications. The application times basic operations for different representations of multi-material data structures.

Robey, Robert W.↗

Finite Element Solver for Fission Dynamics

FELIX is a physics computer code used to model fission fragment mass distributions in a fully quantum-mechanical, microscopic framework that only relies on our current knowledge of nuclear forces [1]. It is an implementation of the time-dependent generator coordinate method (TDGCM), which simulates the dynamics of a collective quantum wave-packet assuming the motion is adiabatic. In typical applications of the TDFCM, the nuclear collective wavepacket is obtained as a superposition of wavefunctions obtained by solving the Hartree-Fock-Bogoliubov equations of nuclear density functional theory (DFT). The program calculates at each time step the coefficients of that superposition.

Regnier, D.↗

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.↗