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DOE OSTI2019

An Adaptive Particle Tracking Algorithm for Lagrangian-Eulerian Simulations of Dispersed Multiphase Flows

The Lagrangian-Eulerian method is broadly used for simulations of dispersed multiphase flows by solving the continuous phase in the Eulerian framework while treating the dispersed phase as point particles in a Lagrangian framework. The accuracy of the Lagrangian-Eulerian method largely depends on the number of computational particles tracked for the Lagrangian phase. In this study, an adaptive Lagrangian particle tracking algorithm is proposed to balance the statistical error and the computational cost by dividing and merging the particles according to the local particle statistics in the computational domain. The computational particles are considered as weighted sampling points of the particle probability density functions (PDF) which represents a statistical equivalence of the Lagrangian phase. The algorithm is implemented as a part of a C++ library for Lagrangian particles, Grit, with performance portability to multi-core or many-core CPUs and Graphic Processing Unit (GPU) architectures. The accuracy of the proposed algorithm with two different schemes are studied through a test problem with analytical solutions for both the particle number density and momentum source term. The results are used to evaluate the proposed algorithm as well as to validate the parallel implementation.

Ge, Wenjun↗

DOE OSTI2021

Coupled Thermal-Hydraulic Analysis and Species Mass Transport in a Versatile Experimental Salt Irradiation Loop (VESIL) Using CTF

With the resurgence of interest in molten salt reactors, there is a need for new experiments and modeling capabilities to characterize the unique phenomena present in this fluid fuel system. A Versatile Experimental Salt Irradiation Loop (VESIL) is currently under investigation at Idaho National Laboratory to be placed in the Advanced Test Reactor (ATR). One of the key phenomena this proposed experiment plans to elucidate is fission product speciation in the fuel-salt and the subsequent effects this has on the fuel-salt properties, source term generation, and corrosion control. Specifically, noble gases (Xe & Kr) will bubble out to a plenum or off-gas system, and noble metals (Mo, Tc, Te, etc.) will precipitate and deposit in specific zones in the loop. This work extends the mass transfer and species interaction models in CTF (Coolant-Boiling in Rod Arrays—Two Fluids) and applies these models to give a preliminary estimation of fission product behavior in the proposed VESIL design. A noble metal–helium bubble mass transfer model is coupled with the thermal-hydraulic results from CTF to determine the effectiveness of this insoluble fission product (IFP) extraction method for VESIL. Amounts of IFP species extracted to the off-gas system and species distributions in VESIL after a 60-day ATR cycle are reported.

Walker, Samuel A.↗

DOE OSTI2021

Efficient Space–Time Reduced Order Model for Linear Dynamical Systems in Python Using Less than 120 Lines of Code

A classical reduced order model (ROM) for dynamical problems typically involves only the spatial reduction of a given problem. Recently, a novel space–time ROM for linear dynamical problems has been developed [Choi et al., Space–tume reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems, Journal of Computational Physics, 2020], which further reduces the problem size by introducing a temporal reduction in addition to a spatial reduction without much loss in accuracy. The authors show an order of a thousand speed-up with a relative error of less than 10−5 for a large-scale Boltzmann transport problem. In this work, we present for the first time the derivation of the space–time least-squares Petrov–Galerkin (LSPG) projection for linear dynamical systems and its corresponding block structures. Utilizing these block structures, we demonstrate the ease of construction of the space–time ROM method with two model problems: 2D diffusion and 2D convection diffusion, with and without a linear source term. For each problem, we demonstrate the entire process of generating the full order model (FOM) data, constructing the space–time ROM, and predicting the reduced-order solutions, all in less than 120 lines of Python code. We compare our LSPG method with the traditional Galerkin method and show that the space–time ROMs can achieve O(10−3) to O(10−4) relative errors for these problems. Depending on parameter–separability, online speed-ups may or may not be achieved. For the FOMs with parameter–separability, the space–time ROMs can achieve O(10) online speed-ups. Finally, we present an error analysis for the space–time LSPG projection and derive an error bound, which shows an improvement compared to traditional spatial Galerkin ROM methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Monitoring Xenon Capture in a Metal Organic Framework Using Laser-Induced Breakdown Spectroscopy

Molten salt reactor operation will necessitate circulation of a cover gas to remove certain evolved fission products and maintain an inert atmosphere. The cover gas leaving the reactor core is expected to contain both noble and non-noble gases, aerosols, volatile species, tritium, and radionuclides and their daughters. To remove these radioactive gases, it is necessary to develop a robust off-gas system, along with novel sensors to monitor the gas stream and the treatment system performance. In this study, a metal organic framework (MOF) was engineered for the capture of Xe, a major contributor to the off-gas source term. The engineered MOF column was tested with a laser-induced breakdown spectroscopy (LIBS) sensor for noble gas monitoring. The LIBS sensor was used to monitor breakthrough tests with various Xe, Kr, and Ar mixtures to determine the Xe selectivity of the MOF column. This study offers an initial demonstration of the feasibility of monitoring off-gas treatment systems using a LIBS sensor to aid in the development of new capture systems for molten salt reactors.

47 OTHER INSTRUMENTATION↗

DOE OSTI2018

Stochastic Acceleration of ~0.1–5 keV Pickup Ions in the Heliotail

We seek to understand the quantitative role of the dominant physical processes (charge-exchange, adiabatic heating, stochastic acceleration) governing the proton distribution in the heliotail using observations of hydrogen energetic neutral atoms (ENAs) from the Interstellar Boundary Explorer ( IBEX ). We solve the Parker transport equation for solar wind protons and pickup ions (PUIs) as they propagate from the termination shock (TS) down the heliotail, including charge-exchange between protons and neutral hydrogen atoms as source terms derived from an MHD-fluid and kinetic-neutral simulation of the heliosphere. We compute ENA fluxes at 1 au from the results of the proton transport model and compare them with IBEX observations. We find that, under the assumptions of our model, a stochastic acceleration process is needed to counteract the energy-dependent losses of ~0.1–5 keV PUIs from charge-exchange to reproduce IBEX data. The power-law velocity dependence of the diffusion coefficient (spectral index γ ) is limited to the range 0.67 < γ < 2, and the best fit to IBEX data appears close to γ ~ 1.25. The diffusion rate ~1.1 × 10 -8 km 2 s -3 ( v / v 0 ) 1.25 nearly balances the loss of ~0.1–5 keV PUIs by charge-exchange. Our analysis suggests that cyclotron resonance with two widely known incompressible MHD turbulence: namely, isotropic Kolmogorov and anisotropic Goldreich–Sridhar turbulence, as well as stochastic particle interactions with compressive waves are not by themselves the dominant diffusion mechanisms. However, some intermediate processes may be occurring due to the presence of PUIs.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2020

MOCMC: Method of Characteristics Moment Closure, a Numerical Method for Covariant Radiation Magnetohydrodynamics

In this work, we present a conservative numerical method for radiation magnetohydrodynamics with frequency-dependent full transport in stationary spacetimes. This method is stable and accurate for both large and small optical depths and radiation pressures. The radiation stress–energy tensor is evolved in flux-conservative form, and closed with a swarm of samples that each transport a multigroup representation of the invariant specific intensity along a null geodesic. In each zone, the enclosed samples are used to efficiently construct a Delaunay triangulation of the unit sphere in the comoving frame, which in turn is used to calculate the Eddington tensor, average source terms, and adaptively refine the sample swarm. Furthermore, radiation four-forces are evaluated in the moment sector in a semi-implicit fashion. The radiative transfer equation is solved in invariant form deterministically for each sample. Since each sample carries a discrete representation of the full spectrum, the cost of evaluating the transport operator is independent of the number of frequency groups, representing a significant reduction of algorithmic complexity for transport in frequency-dependent problems. The major approximation we make in this work is performing scattering in an angle-averaged way. Local adaptivity in samples also makes this scheme more amenable to nonuniform meshes than a traditional Monte Carlo method. We describe the method and present results on a suite of test problems. We find that Method of Characteristics Moment Closure converges at least as ~N -1 , rather than the canonical Monte Carlo N -1/2 , where N is the number of samples per zone.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Multi-frequency General Relativistic Radiation-hydrodynamics with M 1 Closure

We report on recent upgrades to our general relativistic radiation-magnetohydrodynamics code, Cosmos++ , which expands the two-moment, M 1 , radiation treatment from gray to multi-frequency transport, including Doppler and gravitational frequency shifts. The solver accommodates either photon (Bose–Einstein) or neutrino (Fermi–Dirac) statistical distribution functions with absorption, emission, and elastic scattering processes. An implicit scheme is implemented to simultaneously solve the primitive inversion problem together with the radiation–matter coupling source terms, providing stability over a broad range of opacities and optical depths where the interaction terms can be stiff. We discuss our formulations and numerical methods, and validate our methods against a wide variety of test problems spanning optically thin to thick regimes in flat, weakly curved, and strongly curved spacetimes.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Generation and Life Cycle of Solar Spicules

The physical mechanism for the creation of solar spicules is proposed with three stages of their life cycle. It is assumed that at stage I the density hump is formed locally in the x-y plane in the lower chromosphere in the presence of temperature gradients of electrons and ions along the z-axis (the vertical direction). In this region, the density structure of quasi-neutral (n i ≃ n e = n) plasma after taking birth is accelerated in the vertical direction owing to the thermal force F th ∝ ∇n(x, y, t) × (∇T e + ∇T i ). The exact time-dependent analytical solution of two-fluid plasma equations is presented assuming that density is maximum at the center of the density structure and decays away from it gradually. The 2D density structure is created as a step function H(t) in time at the bottom of the chromosphere, and consequently, the vertical plasma velocity turns out to be the ramp function of time R(t) = tH(t), whereas the source term S(x, y, t) for the density follows the delta function δ(t) form. The upward acceleration a = a(x, y) $\hat{z}$ produced in this density structure is greater than the downward constant solar acceleration −g ⊙ in the chromosphere. In the transition region, the temperature gradients are steeper; therefore, the upward acceleration increases in magnitude g ⊙ ≪ a and the density hump spends less time there. This is stage II of its life cycle. In stage III, the density structure enters into the corona, where the gradients of temperatures vanish and the structure decelerates to zero velocity under the action of the solar gravitational force.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

General-relativistic Resistive Magnetohydrodynamics with Robust Primitive-variable Recovery for Accretion Disk Simulations

Recent advances in black hole astrophysics, particularly the first visual evidence of a supermassive black holeat the center of the galaxy M87 by the Event Horizon Telescope (EHT), and the detection of an orbiting “hot spot”nearby the event horizon of Sgr A* in the Galactic center by the Gravity Collaboration, require the developmentof novel numerical methods to understand the underlying plasma microphysics. Non-thermal emission related tosuch hot spots is conjectured to originate from plasmoids that form due to magnetic reconnection in thin currentlayers in the innermost accretion zone. Resistivity plays a crucial role in current sheet formation, magneticreconnection, and plasmoid growth in black hole accretion disks and jets. We included resistivity in the three-dimensional general-relativistic magnetohydrodynamics (GRMHD) codeBHACand present the implementationof an Implicit-Explicit scheme to treat the stiff resistive source terms of the GRMHD equations. The algorithmis tested in combination with adaptive mesh refinement to resolve the resistive scales and a constrained transportmethod to keep the magnetic field solenoidal. Several novel methods for primitive variable recovery, a key part inrelativistic magnetohydrodynamics codes, are presented and compared for accuracy, robustness, and efficiency.We propose a new inversion strategy that allows for resistive-GRMHD simulations of low gas-to-magneticpressure ratio and highly magnetized regimes as applicable for black hole accretion disks, jets, and neutron starmagnetospheres. We apply the new scheme to study the effect of resistivity on accreting black holes, accountingfor dissipative effects as reconnection

(magnetohydrodynamics:) MHD↗

DOE OSTI2025

Toward Higher-order Accuracy in Self-gravitating Hydrodynamics

High-order algorithms have emerged in numerical astrophysics as a promising avenue to reduce truncation error (proportional to a power of the linear resolution Δ x ) with only a moderate increase to computational expense. Significant effort has been placed in the development of finite-volume algorithms for (magneto)hydrodynamics; however, state-of-the-art astrophysical simulations tightly couple a plenitude of physics, additionally including gravity, photon transport, cosmic-ray transport, chemistry, and/or diffusion, to name a few. Algorithms frequently operator-split this additional physics (often a first-order error in time) and/or adopt a model wherein their evaluation is limited to second-order accuracy in space. In this work, we present a fourth-order-accurate finite-volume scheme for self-gravitating hydrodynamics on a uniform Cartesian grid. The method supplies source terms for the gravitational acceleration ( ρ g ) and gravitational energy release ( ρ v · g ) associated with fourth-order-accurate solutions to the Poisson equation. Our scheme (1) guarantees the conservation of total linear momentum while (2) decreasing (in proportion to Δ x 4 ) the effects of spurious heating and/or cooling associated with truncation error in the gravity. We demonstrate expected convergence rates for the algorithm by measuring errors in test problems evolving self-gravity modified linear waves and 3D polytropic equilibria. We test robustness of the algorithm by integrating an induced “inside-out” adiabatic collapse. We also discuss a method to smoothly downgrade the solution to second-order spatial accuracy to avoid spurious overshoots near steep density and/or pressure gradients.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Virtual element approximations of the time-fractional nonlinear convection-diffusion equation on polygonal meshes

We extend the Virtual Element Method to a two-dimensional unsteady nonlinear convection-diffusion equation characterized by a fractional-order derivative with respect to the time variable. Our methodology is based on three fundamental technical components: a fractional version of the Grunwald-Letnikov approximation, discrete maximal regularity, and the regularity theory associated with non-linearity. We prove the method's well-posedness, i.e., the approximate solution's existence and uniqueness to the time-fractional convection-diffusion equation with a Lipschitz nonlinear source term. The fully discrete scheme inherently maintains stability and consistency by leveraging the discrete maximal regularity and the energy projection operator. The convergence in the L 2 -norm and H 1 -norm to various mesh configurations is validated by numerical results, underlining the practical effectiveness of the proposed method.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Mean-field limit of a hybrid system for multi-lane car-truck traffic

In the present work we model multi-lane traffic flow in presence of two population of vehicles: cars and trucks. We first develop a finite-dimensional hybrid system which rely on continuous Bando-Follow-the-Leader dynamics coupled with discrete events motivated by the lane-change maneuvers. Then we rigorously prove that the mean-field limit is given by a system of Vlasov-type PDE with source terms generated by the lane-change maneuvers of the human-driven vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1971

Experiment M404: Proton electron spectrometer

A series of experiments were performed during the Gemini 4 mission to acquire a detailed description of the radiation environment. Data from these experiments were used as source terms for the calculation of radiation doses received by the crewmembers. Comparison of theory with experimental data was accomplished by the use of dosimeters to monitor the integrated dose received by each crewmember. The instantaneous direction of the magnetic field of the earth relative to the spectrometer was used in the reduction of data because particle intensities were strongly directional with respect to the magnetic field. The simultaneous measurement of the external radiation environment and the radiation dose received by the crewmen during a mission was useful to evaluate and perfect calculational techniques.

Marbach, J. R.↗

NASA NTRS1971

A systematic exposition of the conservation equations for blast waves.

In order to provide a rational background for the analysis of experimental observations of blast wave phenomena, the conservation equations governing their nonsteady flow field are formulated in a general manner, without the usual restrictions imposed by an equation of state, and with proper account taken, by means of source terms, of other effects which, besides the inertial terms that conventionally dominate these equations, can affect the flow. Taking advantage of the fact that a blast wave can be generally considered as a spatially one-dimensional flow field whose nonsteady behavior can be regarded, consequently, as a function of just two independent variables, two generalized blast wave coordinates are introduced, one associated with the front of the blast wave and the other with its flow field. The conservation equations are accordingly transformed into this coordinate system, acquiring thereby a comprehensive character, in that they refer then to any frame of reference, being applicable, in particular, to problems involving either space or time profiles of the gas-dynamic parameters in the Eulerian system, or time profiles in the Lagrangian system.

Oppenheim, A. K.↗

NASA NTRS1972

Manned space flight nuclear system safety. Volume 3: Reactor system preliminary nuclear safety analysis. Part 2: Accident Model Document (AMD)

The Accident Model Document is one of three documents of the Preliminary Safety Analysis Report (PSAR) - Reactor System as applied to a Space Base Program. Potential terrestrial nuclear hazards involving the zirconium hydride reactor-Brayton power module are identified for all phases of the Space Base program. The accidents/events that give rise to the hazards are defined and abort sequence trees are developed to determine the sequence of events leading to the hazard and the associated probabilities of occurence. Source terms are calculated to determine the magnitude of the hazards. The above data is used in the mission accident analysis to determine the most probable and significant accidents/events in each mission phase. The only significant hazards during the prelaunch and launch ascent phases of the mission are those which arise form criticality accidents. Fission product inventories during this time period were found to be very low due to very limited low power acceptance testing.

Source record↗

NASA NTRS1974

Termination of the solar wind in the hot, partially ionized interstellar medium

Theoretical foundations for understanding the problem of the termination of the solar wind are reexamined in the light of most recent findings concerning the states of the solar wind and the local interstellar medium. The investigation suggests that a simple extention of Parker's (1961) analytical model provides a useful approximate description of the combined solar wind, interstellar wind plasma flowfield under conditions presently thought to occur. A linear perturbation solution exhibiting both the effects of photoionization and charge exchange is obtained for the supersonic solar wind. A numerical algorithm is described for computing moments of the non-equilibrium hydrogen distribution function and associated source terms for the MHD equations. Computed using the algorithm in conjunction with the extended Parker solution to approximate the plasma flowfield, profiles of hydrogen number density are given in the solar wind along the upstream and downstream axes of flow with respect to the direction of the interstellar wind. Predictions of solar Lyman-alpha backscatter intensities to be observed at 1 a.u. have been computed, in turn, from a set of such hydrogen number density profiles varied over assumed conditions of the interstellar wind.

Lombard, C. K.↗

NASA NTRS1974

A new formulation of the conservation equations of fluid dynamics

The computation of time-dependent flows has inspired a new, higher-dimensional formulation of the conservation equations of fluid dynamics in which time is treated as a fourth coordinate. The formulation is derived for a constant-density flow, and then extended to a variable-density flow by introducing a fifth, fictitious coordinate. This new coordinate can also act as a source coordinate, so that external source terms can be included. The analysis is carried out for both incompressible, stratified flow, and compressible equilibrium flow. The results are then extended to non-equilibrium and magnetohydrodynamic flows. Several applications of the new formulation to the computation of time-dependent flows are discussed.

Vinokur, M.↗

NASA NTRS1975

Solution of the equation of heat conduction with time dependent sources: Programmed application to planetary thermal history

A computer program (Program SPHERE) solving the inhomogeneous equation of heat conduction with radiation boundary condition on a thermally homogeneous sphere is described. The source terms are taken to be exponential functions of the time. Thermal properties are independent of temperature. The solutions are appropriate to studying certain classes of planetary thermal history. Special application to the moon is discussed.

Conel, J. E.↗