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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 55 records · Page 3

Emulation of radiation transport in 3D stochastic media using 1D planar Monte Carlo stochastic media radiation transport algorithms

A subset of stochastic media radiation transport problems involves those in which radiation is incident on a thin slab of stochastic material. Particle tracking in 3D for such problems is expensive, and 1D planar models lack accuracy because they only allow the material to change in one dimension. Therefore, we propose dimensional emulation, which through a slight modification allows existing 1D planar geometry stochastic media radiation transport models to reproduce results from the equivalent 3D models by allowing the material to change in all three dimensions, reproducing the fidelity of the 3D model for the low computational cost of the 1D planar model. In this work, we apply dimensional emulation to three Monte Carlo stochastic media radiation transport models: Chord Length Sampling (CLS), the Local Realization Preserving method (LRP), and a variant of Conditional Point Sampling (CoPS). For a common Markovian benchmark set, the 3D emulation variants of these algorithms are numerically verified to reproduce the results of the 3D variants within statistics while running 1.3 to 2 times faster in the implementation within Sandia National Laboratories open-source research code PlaybookMC. The 3D emulation variants are also shown to yield a 72%–92% reduction in error for the thin slab problems in comparison to the 1D benchmark. As a result, the 3D emulation variant of CLS and CoPS-1 are shown to reproduce 3D CLS results that were used to approximate results for a 3D spherical inclusion geometry benchmark set.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Monte-Carlo Neutrino Transport in Neutron Star Merger Simulations

Gravitational waves and electromagnetic signals from merging neutron star binaries provide valuable information about the the properties of dense matter, the formation of heavy elements, and high-energy astrophysics. To fully leverage observations of these systems, we need numerical simulations that provide reliable predictions for the properties of the matter unbound in these mergers. An important limitation of current simulations is the use of approximate methods for neutrino transport that do not converge to a solution of the transport equations as numerical resolution increases, and thus have errors that are impossible to quantify. Here, we report on a first simulation of a binary neutron star merger that directly solves the transport equations using Monte-Carlo techniques. We demonstrate that a computationally cheap Monte-Carlo transport can be implemented without ill effects from sampling noise. We apply Monte-Carlo transport to an unequal mass neutron star binary merger up to 5ms past merger, and report on the properties of the matter and neutrino outflows. Finally, we compare our results to the output of our best approximate `M1' transport scheme, demonstrating that an M1 scheme that carefully approximates the neutrino energy spectrum only leads to ~10% uncertainty in the composition and velocity of the ejecta, and ~20% uncertainty in the electron (anti)neutrino luminosities and energies. Here, the most significant disagreement found between M1 and Monte-Carlo results is a factor of ~2 difference in the luminosity of heavy-lepton neutrinos.

79 ASTRONOMY AND ASTROPHYSICS↗

Three-dimensional computations of transverse hydrogen jet combustion in a supersonic airstream

A computational fluid dynamics (CFD) code is being developed to compute the mixing and combustion of hydrogen fuel in the turbulent flow fields of supersonic combustion ramjets (scramjet). The code solves the three-dimensional Reynolds time-averaged complete Navier-Stokes equations including transport equations for a four species, two reaction, global finite rate chemistry model. The code was applied to the case of transverse injection of hydrogen from a sonic circular orifice into a supersonic airstream. The equations were numerically integrated using MacCormack's explicit method, and the algebraic eddy viscosity model of Baldwin-Lomax was used to model the turbulence. In the species transport and energy equations, diffusion coefficients based on Fick's Law and an assumption of unit Lewis number were applied. Computed features of the three-dimensional flow field are depicted by static pressure, static temperature, mass fraction of species, and velocity vectors. For engineering interest, mixing and combustion parameters were examined to assess the effect of injector diameter, injected fuel pressure, fuel-air ratio, and spacing of fuel injectors. The objective of the present paper is to demonstrate the capability of the present three-dimensional spatially elliptic, CFD code for turbulent, reacting flow. Application of the code to specific supersonic combustion configurations is planned.

Uenishi, K.↗

The Transient Multi-Level method for Monte Carlo reactor statics calculations

The Transient Multi-Level (TML) method is applied to a time-dependent Monte Carlo transport solver to offload some of the computational burden of the expensive Monte Carlo solve to lower-order Coarse Mesh Finite Difference (CMFD) and Exact Point Kinetics Equations (EPKE) solvers via factorization of the neutron flux at the transport and CMFD levels using the Predictor Corrector Quasi-Static Method (PCQM). The Monte Carlo transient is solved by a modified fission source iteration scheme that introduces a single transient source bank. The method is implemented in the production-level Monte Carlo code, Shift, and verified with prescribed reactivity ramps from the two-dimensional version of the C5G7-TD reactor benchmark. The results show that, as compared to other quasi-static methods, the TML reduces the stochastic noise inherent to the transient Monte Carlo solver by factors of ~2 to 6 for various norm comparisons of the reactor power amplitude. Finally, the TML additionally reduces the number of Monte Carlo evaluations needed to simulate the transient, leading to roughly an order of magnitude improvement in CPU time relative to the standard PCQM for the problems tested.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Preservation of kinetics parameters generated by Monte Carlo calculations in two-step deterministic calculations

The generation of accurate kinetic parameters such as mean generation time Λ and effective delayed neutron fraction β eff via Monte Carlo codes is established. Employing these in downstream deterministic codes warrants another step to ensure no additional error is introduced by the low-order transport operator when computing forward and adjoint fluxes for bilinear weighting of these parameters. Another complexity stems from applying superhomogenization (SPH) equivalence in non-fundamental mode approximations, where reference and low-order calculations rely on a 3D full core model. In these cases, SPH factors can optionally be computed for only part of the geometry while preserving reaction rates and K-effective, but the impact of such approximations on kinetics parameters has not been thoroughly studied. This paper aims at studying the preservation of bilinearly-weighted quantities in the Serpent–Griffin calculation procedure. Diffusion and transport evaluations of IPEN/MB-01, Godiva, and Flattop were carried out with the Griffin reactor physics code, testing available modeling options using Serpent-generated multigroup cross sections and equivalence data. Verifying Griffin against Serpent indicates sensitivities to multigroup energy grid selection and regional application of SPH equivalence, introducing significant errors; these were demonstrated to be reduced through the use of a transport method together with a finer energy grid.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Cost-optimized Automated Variance Reduction for Highly Angle-dependent Radiation Transport Analyses [Dissertation]

Monte Carlo variance-reduction techniques that directly bias particle direction have historically received limited attention despite being useful for many radiation transport applications such as those in which radiation travels through large regions with a low probability of colliding. One such technique is known as DXTRAN (short for deterministic transport) in the MCNP Monte Carlo radiation transport code. Until now, effectively applying DXTRAN in calculations is largely based on empirical observations of computational performance. Optimal DXTRAN parameters are identified through manual iteration. This work develops new mathematical descriptions of the DXTRAN variance-reduction process and demonstrates a new automated variance-reduction method that applies these mathematical formulations to determine the optimal application of DXTRAN in a given problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

EBS Task Force: Task 9/FEBEX Modeling Final Report: Thermo-Hydrological Modeling with PFLOTRAN

This report outlines Sandia National Laboratories modeling studies applied to Stage 1 and Stage 2 of the Full-scale Engineered Barriers Experiment in Crystalline Host Rock (FEBEX) in situ test for the SKB EBS Task Force Task 9. The FEBEX test was a full-scale test conducted over ~18 years at the Grimsel, Switzerland Underground Research Laboratory (URL) managed by NAGRA. It involved emplacing simulated waste packages, in the form of welded cylindrical heaters, inside a tunnel in crystalline granitic rock and surrounded by a bentonite barrier and cement plug. Sensors emplaced within the bentonite monitored the wetting-up, heating, and drying out of the bentonite barrier, and the large resulting data set provides an excellent opportunity for validation of multiphysics Thermal-Hydrological (TH), Thermal-Hydrologic-Chemical (THC), and Thermal-Hydrological-Mechanical (THM) modeling approaches for underground nuclear waste storage and the performance of engineered bentonite barriers. The present status of the EBS Task Force is finalizing Task 9, which follows years of modeling studies of the FEBEX test, by many notable modeling teams (Gens et al., 2009; Sanchez et al. 2010; 2012; Samper et al., 2018). These modeling studies generally use two-dimensional axisymmetric meshes, ignoring threedimensional effects, gravity and asymmetric wetting and dry out of the bentonite engineered barrier. This study investigates these effects with use of the PFLOTRAN THC code with massively parallel computational methods in modeling FEBEX Stage 1 and Stage 2 results. The PFLOTRAN numerical code is an open source, state-of-the-art, massively parallel subsurface flow and reactive transport code operating in a high-performance computing environment (Hammond et al., 2014). Section 2 describes the applied partial differential equations describing mass, momentum and energy balance used in this study, considerations derived by assuming phase equilibrium between gas and liquid phases, constitutive equations for granite, cement plug, and bentonite domains, and specific approaches for use inthe PFLOTRAN code. Section 3 describes the geometry, meshing, and model set-up. Section 4 describes modeling results, Section 5 compares modeling results to field testing data, and Section 6 gives conclusions. The Appendix provides detailed information required by the EBSTask Force for final reporting.

42 ENGINEERING↗

A MOOSE-Based Model for Fission Product Transport and Source Term Estimation for High-Temperature Gas-Cooled Reactors

Thanks to fuel elements containing tristructural isotropic (TRISO) particles combined with a low core power density and passive feedback mechanisms leading to modest temperature rises in the event of accidental events, high-temperature gas-cooled reactors (HTGRs) offer a high degree of reliability in terms of fission product retention. While the anticipated source term for HTGRs is expected to be very low, it is important to provide a quantitative estimate of radiological releases during nominal and accidental conditions. Here, we propose a computationally efficient mechanistic source term methodology relying on the Multiphysics Object Oriented Simulation Environment (MOOSE) for tracking fission product transport from TRISO particles up to the coolant pressure boundary, as well as modeling the transport and potential deposition of these nuclides inside the reactor coolant loop. The proposed computational scheme is applied to estimate source term inventories for a representative 10-MW(thermal) prismatic high-temperature microreactor and is qualitatively compared against known release fractions. In addition to providing an alternate analysis tool, this MOOSE model can help reactor designers quantify the influence of key design parameters relevant for studies of radiological dose consequences.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Diurnal Forcing of Planetary Atmospheres

This project investigated and developed models which will assist in developing an understanding of the diurnal forcings in the atmospheres of Mars, Venus, Earth and Jupiter. The differences in the temperatures during the day, and night, generate very deep diurnal boundary layers and strong slope-related winds. A general circulation model (GCM) was adapted for computation of Martian atmospheric dynamics, to simulate the global transport of these atmospheric tracers. The model was applied to the study of the Martian seasonal water cycle. The principles have been applied to venus. The region of study is the upper cloud level, and above rather than the area close to the surface. The model was also applied in efforts to study the evolution of volcanic clouds in the Earth's stratosphere. In particular this was used to model the dispersion of sulfuric acid particles in the atmosphere. A brief study of the application of the tidal theory to the planet Jupiter has been undertaken. The goal of the study is to deduce the source of the tidal dissipation which is thought to have led to the orbital resonances amongst the Galilean satellites and considerable heating of the interiors of Io, Europa, and Ganymede.

Houben, Howard C.↗

Experiments and Model Development for the Investigation of Sooting and Radiation Effects in Microgravity Droplet Combustion

Today, despite efforts to develop and utilize natural gas and renewable energy sources, nearly 97% of the energy used for transportation is derived from combustion of liquid fuels, principally derived from petroleum. While society continues to rely on liquid petroleum-based fuels as a major energy source in spite of their finite supply, it is of paramount importance to maximize the efficiency and minimize the environmental impact of the devices that burn these fuels. The development of improved energy conversion systems, having higher efficiencies and lower emissions, is central to meeting both local and regional air quality standards. This development requires improvements in computational design tools for applied energy conversion systems, which in turn requires more robust sub-model components for combustion chemistry, transport, energy transport (including radiation), and pollutant emissions (soot formation and burnout). The study of isolated droplet burning as a unidimensional, time dependent model diffusion flame system facilitates extensions of these mechanisms to include fuel molecular sizes and pollutants typical of conventional and alternative liquid fuels used in the transportation sector. Because of the simplified geometry, sub-model components from the most detailed to those reduced to sizes compatible for use in multi-dimensional, time dependent applied models can be developed, compared and validated against experimental diffusion flame processes, and tested against one another. Based on observations in microgravity experiments on droplet combustion, it appears that the formation and lingering presence of soot within the fuel-rich region of isolated droplets can modify the burning rate, flame structure and extinction, soot aerosol properties, and the effective thermophysical properties. These observations led to the belief that perhaps one of the most important outstanding contributions of microgravity droplet combustion is the observation that in the absence of asymmetrical forced and natural convection, a soot shell is formed between the droplet surface and the flame, exerting an influence on the droplet combustion response far greater than previously recognized. The effects of soot on droplet burning parameters, including burning rate, soot shell dynamics, flame structure, and extinction phenomena provide significant testing parameters for studying the structure and coupling of soot models with other sub-model components.

Choi, Mun Young↗

Three-dimensional computation of mixing of transverse injector in a ducted supersonic airstream

Numerical solutions of the three-dimensional mass-averaged elliptic Navier-Stokes equations, including species transport, are obtained for nonreacting, turbulent, mixing flow fields for the case of transverse sonic injection of a secondary gas into a supersonic airstream through a circular orifice injector. Results are presented for flow through a constant area duct and through a duct with a rearward-facing step upstream of the injector. The equations are numerically integrated using MacCormack's explicit method and turbulence is included using the Baldwin-Lomax algebraic eddy viscosity model. In the species transport and energy equations, diffusion coefficients based on Fick's law and an assumption of unit Lewis number are applied. The computations were performed on a CDC-VPS-32 (extended version of Cyber-205) using a grid consisting of approximately 200,000 points. The computed results are compared with experimentally observed penetration and spreading boundaries for an injected gas at two dynamic pressure ratios. Three-dimensional flow field structures are dipicted in terms of static pressure, mass fractions of species and velocity vectors.

Uenishi, K.↗

Dynamic Species Reduction for Multi-Cycle CFD Simulations (Final Technical Report)

This project primarily sought to address some of the computational cost concerns of detailed simulations by developing improved methods of handling species transport, and chemical kinetics evaluation in a commercial 3D Computational Fluid Dynamics (CFD) environment. Secondary goals were to apply these techniques to fuels and conditions of interest to better understand the key species and reactions required to adequately capture cycle to cycle coupling. Improved modeling will lead to better understanding of these combustion modes and their dependence on fuel composition, which can then enable more clean and efficient engines, ultimately benefiting the consumer as well as the general public. Two approaches were used to address the computational cost. A “Dynamic Species Reduction” (DSR) procedure was developed to remove chemical species from the simulation during periods when chemical reactions were not expected to be important, particularly during gas exchange when temperatures are low and little fuel remains. This modelling procedure automatically detects relevant species to retain in the simulation domain based on their local concentration, removes species below a specified concentration threshold, and then adjusts the remaining species mass to conserve not only the number of H, C, and O atoms in each cell, but also the relative proportions between species and the heating value of the mixture in every cell. The second procedure was a “Product Directed Remapping” (PDR) updates the algorithm used to group individual computational cells for chemical kinetics evaluation to account for non-uniform temperature distributions and the CO to CO 2 ratio in the cells. The model techniques developed in this work successfully demonstrated computational performance improvements for a range of conditions relevant for Highly Dilute SI and HCCI engine operation. Runtime reductions of 10% were observed for small mechanisms, with further reductions of up to 36% observed for larger mechanisms. Improvements were primarily related to reducing the number of chemical species tracked during the gas exchange process using the Dynamic Species Reduction method. With smaller benefits observed from changes to the kinetics binning and evaluation strategy in the post combustion region using the PDR method. The results of this work show the potential for improved computational runtime for complicated simulations. They can and should be extended to additional conditions and new bio-derived and renewable fuels as they are developed and new kinetic mechanisms become available.

10 SYNTHETIC FUELS↗

A study of the lifetimes of geosynchronous transfer orbits

The study concerns the orbit lifetimes of spent upper stages that are used to boost NASA Space Transportation System payloads into geosynchronous transfer orbits. A semi-analytical method of trajectory computation was developed and applied to these particular orbits. It was found that gravitational perturbations of the sun, moon and oblate earth cause large changes in the perigee altitude. The following parameters have a strong influence on orbit lifetimes: Time of year of launch; Inertial orientation of orbital plane; Inclination of orbital plane.

Graf, O. F., Jr.↗

Assessment and Improvement of Fission Product Transport Predictions of Particle Fuel in BISON

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This study was motivated by the need to incorporate more physics-based models in BISON in order to foster tri-structural isotropic (TRISO) applications. This document details the integration of new modeling capabilities in BISON, including (1) development of pyrolytic carbon (PyC) and silicon carbide (SiC) layer anisotropic thermal and mass transport capabilities, (2) verification of the mass diffusion solution in TRISO modeling, (3) calibration of fission product diffusivity using Advanced Gas Reactor (AGR) experiments, (4) improved fission product release modeling by developing compact diffusion modeling capabilities, and (5) documentation of accelerated failure analysis on the BISON website. Improvements made to the diffusion models and parameters were documented and validated against AGR-1 and -2 experiment data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Oceanic transports of mass, heat, and salt in the western North Pacific

An optimum orbit of the satellite will be presented for confirmation of estimates of tides and interpolation errors. Hydrographic surveys complementary to the routine surveys will be planned in Phase 1 by using research vessels belonging to Japanese universities. Direction measurements of oceanic transports with moored current meters and shipborne acoustic Doppler velocimeters will be planned for selected sections as an activity of the Japan-WOCE (World Ocean Circulation Experiment) Project. In the operational phase of TOPEX/POSEIDON, the delivered altimeter data will be used for the computation of surface geostrophic velocities to be applied in the hydrographic sections of the Japan Meteorological Agency, Hydrographic Department, Japan Fisheries Agency, and the universities. The estimates of transports are made by the co-investigators of each agency. The composite of the transports in the circulations will be made at the Japan Oceanographic Data Center. The direct measurements of current velocity and transports will be made mainly by the principal investigator.

Taira, K.↗

Using Complex Probability Amplitudes to Simulate Solute Transport in Composite Porous Media

Probability amplitudes are fundamental to quantum mechanics and offer robust descriptions of complicated systems, which have allowed physicists to explain behaviors inaccessible to classical physics. This article ponders how some of the same conceptual underpinnings of the mathematics used for modeling quantum systems might be applied to subsurface water resources problems and speculates how these tools could facilitate applications on quantum computers. A probability amplitude-based model for describing advective-dispersive transport in porous media using linear operators is investigated. The proposed complex valued model decomposes spreading into two “sub-continuum partial dispersion” coefficients, and this recovers classical spreading when the sum of these coefficients is the Fickian dispersion coefficient. However, the probability amplitudes have a manyto-one relationship to a probability distribution, so it embeds a level of heterogeneity into seemingly equivalent functions. Two propagators with different sub-continuum coefficients may have the same macroscopic behavior when either is considered in isolation, but when they act on the other the system’s behavior changes. Additionally, differences in the amplitudes cause a reduction in spreading as velocity correlations are disrupted, despite both propagators having identical dispersion coefficients, and this cannot be achieved using classical methods without changing the dispersion coefficient. The main point is that these amplitude-based models offer a way to embed information about the system into the propagators, instead of just “averaging it out” when making an upscaled model.

54 ENVIRONMENTAL SCIENCES↗

Advanced program development management software system. Software description and user's manual

The objectives of this project were to apply emerging techniques and tools from the computer science discipline of paperless management to the activities of the Space Transportation and Exploration Office (PT01) in Marshall Space Flight Center (MSFC) Program Development, thereby enhancing the productivity of the workforce, the quality of the data products, and the collection, dissemination, and storage of information. The approach used to accomplish the objectives emphasized the utilization of finished form (off-the-shelf) software products to the greatest extent possible without impacting the performance of the end product, to pursue developments when necessary in the rapid prototyping environment to provide a mechanism for frequent feedback from the users, and to provide a full range of user support functions during the development process to promote testing of the software.

Source record↗

University of Tennessee Center for Space Transportation and Applied Research (CSTAR)

The Center for Space Transportation and Applied Research had projects with space applications in six major areas: laser materials processing, artificial intelligence/expert systems, space transportation, computational methods, chemical propulsion, and electric propulsion. The closeout status of all these projects is addressed.

Source record↗