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At least 793 records · Page 44

Experiments and Simulations on the Turbulent, Rarefaction Wave Driven Rayleigh–Taylor Instability

Experiments were performed to observe the growth of the turbulent, Rayleigh–Taylor unstable mixing layer generated between air and SF 6 , with an Atwood number of A=(ρ 2 –ρ 1 )/(ρ 2 +ρ 1 ) = 0.64, where ρ 1 and ρ 2 are the densities of air and SF 6 , respectively. A nonconstant acceleration with an average value of 2300g 0 , where g 0 is the acceleration due to gravity, was generated by interaction of the interface between the two gases with a rarefaction wave. Three-dimensional, multimode perturbations were generated on the diffuse interface, with a diffusion layer thickness of δ = 3.6 mm, using a membraneless vertical oscillation technique, and 20 experiments were performed to establish a statistical ensemble. The average perturbation from this ensemble was extracted and used as input for a numerical simulation using the Lawrence Livermore National Laboratory (LLNL) Miranda code. Good qualitative agreement between the experiment and simulation was observed, while quantitative agreement was best at early to intermediate times. Several methods were used to extract the turbulent growth constant α from experiments and simulations while accounting for time varying acceleration. Experimental, average bubble and spike asymptotic self-similar growth rate values range from α = 0.022 to α = 0.032 depending on the method used, and accounting for variable acceleration. Values found from the simulations range from α = 0.024 to α = 0.041. Here, the values of α measured in the experiments are lower than what are typically measured in the literature but are more in line with those found in recent simulations.

42 ENGINEERING↗

Pore-Scale Simulation of Spectral Induced Polarization

A new model was developed to simulate spectral induced polarization (SIP) in porous media. The model is based on a pore-network approximation of the soil or rock, in which bonds between pores are represented by equivalent circuits. In the circuit model, electrolytic and surface conduction occur in parallel, with the electrolyte behaving as a single resistor, and the mineral surface behaving as a resistor and capacitor in series. Based on the pore geometry, fluid conductivity, and mineral surface conductivity, an impedance network is generated. SIP spectra are calculated by solving the sinusoidal steady-state electrical problem for a range of frequencies. The new model provides a tool to bridge the gap between (1) our fundamental understanding of polarization processes at the scale of a single pore or grains and (2) existing simulation capabilities for macroscale systems that do not account for pore-scale properties. The model is implemented in Matlab and can solve two-dimensional and three-dimensional (2D and 3D) networks. Examples for regular cubic lattices are presented, but the method and code are flexible with respect to pore geometries and allow for future leveraging of existing open-source capabilities for generation of pore networks and extraction of network geometries from micro imaging of core samples.

58 GEOSCIENCES↗

Modelling feedbacks between human and natural processes in the land system

Abstract. The unprecedented use of Earth's resources by humans, in combination with increasing natural variability in natural processes over the past century, is affecting the evolution of the Earth system. To better understand natural processes and their potential future trajectories requires improved integration with and quantification of human processes. Similarly, to mitigate risk and facilitate socio-economic development requires a better understanding of how the natural system (e.g. climate variability and change, extreme weather events, and processes affecting soil fertility) affects human processes. Our understanding of these interactions and feedback between human and natural systems has been formalized through a variety of modelling approaches. However, a common conceptual framework or set of guidelines to model human–natural-system feedbacks is lacking. The presented research lays out a conceptual framework that includes representing model coupling configuration in combination with the frequency of interaction and coordination of communication between coupled models. Four different approaches used to couple representations of the human and natural system are presented in relation to this framework, which vary in the processes represented and in the scale of their application. From the development and experience associated with the four models of coupled human–natural systems, the following eight lessons were identified that if taken into account by future coupled human–natural-systems model developments may increase their success: (1) leverage the power of sensitivity analysis with models, (2) remember modelling is an iterative process, (3) create a common language, (4) make code open-access, (5) ensure consistency, (6) reconcile spatio-temporal mismatch, (7) construct homogeneous units, and (8) incorporating feedback increases non-linearity and variability. Following a discussion of feedbacks, a way forward to expedite model coupling and increase the longevity and interoperability of models is given, which suggests the use of a wrapper container software, a standardized applications programming interface (API), the incorporation of standard names, the mitigation of sunk costs by creating interfaces to multiple coupling frameworks, and the adoption of reproducible workflow environments to wire the pieces together.

58 GEOSCIENCES↗

CFD prediction of the reacting flow field inside a subscale scramjet combustor

A three-dimensional, Reynolds-averaged Navier-Stokes CFD code has been used to calculate the reacting flowfield inside a hydrogen-fueled, subscale scramjet combustor. Pilot fuel was injected transversely upstream of the combustor and the primary fuel was injected transversely downstream of a backward facing step. A finite rate combustion model with two-step kinetics was used. The CFD code used the explicit MacCormack algorithm with point-implicit treatment of the chemistry source terms. Turbulent mixing of the jets with the airstream was simulated by a simple mixing length scheme, whereas near wall turbulence was accounted for by the Baldwin-Lomax model. Computed results were compared with experimental wall pressure measurements.

Chitsomboon, T.↗

Prediction of ice shapes and their effect on airfoil performance

Calculations of ice shapes and the resulting drag increases are presented for experimental data on a NACA 0012 airfoil. They were made with a combination of LEWICE and interactive boundary-layer codes for a wide range of conditions which include air speed and temperature, the droplet size and liquid water content of the cloud, and the angle of attack of the airfoil. In all cases, the calculated results account for the drag increase due to ice accretion and, in general, show good agreement.

Shin, Jaiwon↗

Organ Dose Assessment and Evaluation of Cancer Risk on Mars Surface

Organ specific fluence spectra and doses for large solar particle events (SPE) and galactic cosmic rays (GCR) at various levels of solar activity are simulated on the surface of Mars using the HZETRN/QMSFRG computer code and the 2010 version of the Badhwar and O Neill GCR model. The NASA JSC propensity model of SPE fluence and occurrence is used to consider upper bounds on SPE fluence for increasing mission lengths. To account for the radiation transmission through the Mars atmosphere, a vertical distribution of Mars atmospheric thickness is calculated from the temperature and pressure data of Mars Global Surveyor. To describe the spherically distributed atmospheric distance on the Mars surface at each elevation, the directional cosine distribution is implemented. The resultant directional shielding by Mars atmosphere at each elevation is then coupled with vehicle and body shielding for organ dose estimates. Finally, cancer risks for astronauts exploring Mars can be assessed by applying the NASA Space Radiation Cancer Risk 2010 model with the resultant organ dose estimates. Variations of organ doses and cancer risk quantities on the surface of Mars, which are due to a 16-km elevation range between the Tharsis Montes and the Hellas impact basin, are visualized on the global topography of Mars measured by the Mars Orbiter Laser Altimeter. It is found that cancer incidence risks are about 2-fold higher than mortality risks with a disproportionate increase in skin and thyroid cancers for male and female astronauts and in breast cancer for female astronauts. The number of safe days, defined by the upper 95% percent confidence level to be below cancer limits, on Mars is analyzed for several Mars mission design scenarios.

Kim, Myung-Hee↗

K-Shell Photoabsorption and Photoionisation of Trace Elements I. Isoelectronic Sequences With Electron Number 3< or = N < or = 11

Context. With the recent launching of the Hitomi X-ray space observatory, K lines and edges of chemical elements with low cosmic abundances, namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn, can be resolved and used to determine important properties of supernova remnants, galaxy clusters and accreting black holes and neutron stars.Aims. The second stage of the present ongoing project involves the computation of the accurate photoabsorption and photoionisation cross sections required to interpret the X-ray spectra of such trace elements.Methods. Depending on target complexity and computer tractability, ground-state cross sections are computed either with the close-coupling Breit-Pauli R-matrix method or with the autostructure atomic structure code in the isolated-resonance approximation. The intermediate-coupling scheme is used whenever possible. In order to determine a realistic K-edge behaviour for each species, both radiative and Auger dampings are taken into account, the latter being included in the R-matrix formalism by means of an optical potential.Results. Photoabsorption and total and partial photoionisation cross sections are reported for isoelectronic sequences with electron numbers 3< or = N< or = 11. The Na sequence (N=11) is used to estimate the contributions from configurations with a 2s hole (i.e. [2s]) and those containing 3d orbitals, which will be crucial when considering sequences with N 11.Conclusions. It is found that the [2s/u] configurations must be included in the target representations of species with N> 11 as they contribute significantly to the monotonic background of the cross section between the L and K edges. Configurations with 3d orbitals are important in rendering an accurate L edge, but they can be practically neglected in the K-edge region.

atomic data / X-rays: general↗

Solar Flare Heating with Turbulent Suppression of Thermal Conduction

During solar flares plasma is typically heated to very high temperatures, and the resulting redistribution of energy via thermal conduction is a primary mechanism transporting energy throughout the flaring solar atmosphere. The thermal flux is usually modeled using Spitzer’s theory, which is based on local Coulomb collisions between the electrons carrying the thermal flux and those in the background. However, often during flares, temperature gradients become sufficiently steep that the collisional mean free path exceeds the temperature gradient scale size, so that thermal conduction becomes inherently non-local. Further, turbulent angular scattering, which is detectable in nonthermal widths of atomic emission lines, can also act to increase the collision frequency and so suppress the heat flux. Recent work by Emslie & Bian (2018) extended Spitzer’s theory of thermal conduction to account for both non-locality and turbulent suppression. We have implemented their theoretical expression for the heat flux (which is a convolution of the Spitzer flux with a kernel function) into the RADYN flare-modeling code and performed a parameter study to understand how the resulting changes in thermal conduction affect flare dynamics and hence the radiation produced. We find that models with reduced heat fluxes predict slower bulk flows, less intense line emission, and longer cooling times. By comparing features of atomic emission lines predicted by the models with Doppler velocities and nonthermal line widths deduced from a particular flare observation, we find that models with suppression factors between 0.3 to 0.5 relative to the Spitzer value best reproduce observed Doppmission lines forming over a wide range of temperatures. Interestingly, the model that best matches observed nonthermal line widths has a kappa-type velocity distribution function.

Joel C. Allred↗

Solar Flare Heating with Turbulent Suppression of Thermal Conduction

During solar flares plasma is typically heated to very high temperatures, and the resulting redistribution of energy via thermal conduction is a primary mechanism transporting energy throughout the flaring solar atmosphere. The thermal flux is usually modeled using Spitzer’s theory, which is based on local Coulomb collisions between the electrons carrying the thermal flux and those in the background. However, often during flares, temperature gradients become sufficiently steep that the collisional mean free path exceeds the temperature gradient scale size, so that thermal conduction becomes inherently non-local. Further, turbulent angular scattering, which is detectable in nonthermal widths of atomic emission lines, can also act to increase the collision frequency and so suppress the heat flux. Recent work by Emslie & Bian (2018) extended Spitzer’s theory of thermal conduction to account for both non-locality and turbulent suppression. We have implemented their theoretical expression for the heat flux (which is a convolution of the Spitzer flux with a kernel function) into the RADYN flare-modeling code and performed a parameter study to understand how the resulting changes in thermal conduction affect flare dynamics and hence the radiation produced. We find that models with reduced heat fluxes predict slower bulk flows, less intense line emission, and longer cooling times. By comparing features of atomic emission lines predicted by the models with Doppler velocities and nonthermal line widths deduced from a particular flare observation, we find that models with suppression factors between 0.3 to 0.5 relative to the Spitzer value best reproduce observed Doppler velocities across emission lines forming over a wide range of temperatures. Interestingly, the model that best matches observed nonthermal line widths has a kappa-type velocity distribution function

Solar flares↗

MOSCATO Development and Integration in Fiscal Year 2024

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy evolution for molten salt equipment. In FY24, significant developments were made to the code package, enhancing its capabilities in many aspects. The improvements and advancements can be summarized as follows: 1. Implementation of tritium transport capabilities and validation with experimental data: To enable modeling of tritium and other fission gases within MSRs, we implemented gas transport within MOSCATO via inclusion of couple mass transport equations within the salt and structural alloys. Comparisons to experimental data from literature showed good agreement with respect to tritium release rates. 2. Preliminary implementation of two-phase flow models in MOSCATO: To model tritium and other gases above their solubility limits, we implemented preliminary two-phase flow models within MOSCATO to account for bubble transport. The first model adopted was the Level-Set approach, which can handle the high void fraction regime, but with a requirement for high mesh resolution thus high computational expense. In this report, we present a verification of the Level-Set method using a simple benchmark case. We also performed a demonstration of the code as applied to an experimental case involving cover gas flow through salt in an experimental vessel. The second model adopted was the Eulerian-Eulerian dispersed flow model, which is computationally cheaper but limited to low void fraction regimes, such as bubbly flow. Validation and verification have not yet been performed for the Eulerian-Eulerian approach, but a preliminary implementation was completed. 3. Validation with static corrosion experiments: Static corrosion experimental data for stainless steel coupons within molten salts was used to further validate the corrosion model in MOSCATO. To do so, we leveraged the existing models in MOSCATO and simulated the sample mass loss and mass gain phenomena. Several ion species, including Cr 2+ , Fe 2+ and H + , were simulated in salt using the PNP solver, while Cr 0 and Fe 0 were simulated with a diffusion solver in stainless steel. The mass loss of the samples was compared with experimental data, and good agreement was achieved. These combined activities served to further expand the capabilities of MOSCATO and make it more generally applicable to the full range of phenomena that can control chemistry and corrosion in molten salt reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of MCNP Training Modules for Safeguards Practitioners [Abstract]

The Monte-Carlo N-Particle (MCNP) software developed at LANL is the most widely used neutron transport code in the world. It is an essential tool for a variety of applications including detector development and design, nuclear fuel burnup simulation, criticality safety, and nondestructive assay system optimization. For this reason, it is indispensable within the safeguards and materials control & accountability (MC&A) communities. Multiple MCNP training courses have been created and taught over the last several decades by the MCNP development team at LANL, however there are no existing courses that cover specialized topics considered fundamental to NDA and safeguards models. To fill this gap, the MCNP team and Safeguards Science and Technology group at LANL have co-created a set of training modules customized to meet the specialized needs of the safeguards and MC&A communities. The basic modules cover concepts such as NDA system optimization, He-specific and other capture tallies, and tools for improved theoretical understanding. An advanced module was also created to cover topics including variance reduction for active interrogation simulations, use of the LANL MCNPTools post-processor, PTRAC (particle tracking) and list-mode data simulations, and fuel burnup simulations. The training modules teach to the latest and most state-of-the-art MCNP features and tools released by the development team at LANL and are intended to be taught jointly by the developers and safeguards experts. Ultimately, we hope that creation of these modules will serve to capture and convey the safeguards modeling and MCNP expertise at LANL, and that we will be able to share the modules more broadly with the MC&A and safeguards communities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Prediction of electron density in the boundary layer on entry vehicles with ablation

A rather general computer code has been developed for the numerical solution of the laminar boundary layer and thin shock layer (stagnation point only) equations for a multi-component gas mixture with finite reaction rates. The purpose of this paper is to indicate the capabilities of this computer program by presenting solutions for pure air flows and flows with carbon ablation. At the body surface the effects of oxidation and sublimation of carbon are taken into account with the following species included in the gas model: 0 2 , N 2 , O, N, NO, NO + , C 1 , C 2 , C 3 , CN, CO, and CO 2 . Results for the boundary layer along a 10° half-angle hyperboloid with ablation of carbon are compared to pure air results. Shock layer results for several wall temperatures and altitudes are presented and compared to pure air results. Other types of problems that can be solved with this computer code are indicated.

F. G. Blottner↗

Molecular Dynamics Simulation of Complex Reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) Software Package

Simulating chemically reactive phenomena such as proton transport on nanosecond to microsecond and beyond time scales is a challenging task. Ab initio methods are unable to currently access these time scales routinely, and traditional molecular dynamics methods feature fixed bonding arrangements that cannot account for changes in the system’s bonding topology. The Multiscale Reactive Molecular Dynamics (MS-RMD) method, as implemented in the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) software package for the LAMMPS molecular dynamics code, offers a method to routinely sample longer time scale reactive simulation data with statistical precision. RAPTOR may also be interfaced with enhanced sampling methods to drive simulations toward the analysis of reactive rare events, and a number of collective variables (CVs) have been developed to facilitate this. Key advances to this methodology, including GPU acceleration efforts and novel CVs to model water wire formation are reviewed, along with recent applications of the method which demonstrate its versatility and robustness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gyrokinetic analysis of inter-edge localized mode transport mechanisms in a DIII-D pedestal

In this study, gyrokinetic simulations are used to study pedestal fluctuations for DIII-D discharge 174082 using the GENE code. Nonlinear local simulations indicate that electron heat flux has contributions from electron temperature gradient-driven transport but at levels insufficient to satisfy power balance. We show that microtearing modes (MTM) and neoclassical transport are likely to account for the remaining observed energy losses in the electron and ion channels, respectively. The MTM instabilities found in the simulations are consistent with the high-frequency fluctuations identified in the magnetic fluctuation data from Mirnov coils. The fluctuation data in this discharge also exhibit a low-frequency band of fluctuations. By modifying the equilibrium profiles and plasma β, simulations produce MHD modes, which may be responsible for these observed low-frequency fluctuations. We compare several metrics involving ratios of fluctuation amplitudes and transport quantities for both MTMs and MHD modes. This analysis suggests that the available data are consistent with the simultaneous activity of both MHD modes and MTMs provided that the former is limited largely to the particle transport channel.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Radial drift of plasma blobs in a toroidal magnetic field with fully kinetic and reduced fluid models

Abstract In curved magnetic geometries, field-aligned regions of enhanced plasma pressure and density, termed ‘blobs,’ move as coherent filaments across the magnetic field lines. Coherent blobs account for a significant fraction of transport at the edges of magnetic fusion experiments and arise in naturally-occurring space plasmas. This work examines the dynamics of blobs with a fully kinetic electromagnetic particle-in-cell code and with a drift-reduced fluid code. In low-beta regimes with moderate blob speeds, good agreement is found in the maximum blob velocity between the two simulation schemes and simple analytical estimates. The fully kinetic code demonstrates that blob speeds saturate near the initial sound speed, which is a regime outside the validity of the reduced fluid model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Summary of DASSH-CFD Inter-Assembly Heat Transfer Comparison

Fast reactor core design requires integration of detailed power distributions obtained from neutronics models and thermal fluids calculations to determine temperature distributions and flow conditions. During the design phase, calculations may be repeated as specifications change and computational expense must be balanced with solution accuracy, creating an opportunity for the use of intermediate-fidelity codes. To that end, the Ducted Assembly Steady-State Heat Transfer Software (DASSH) has been developed at Argonne National Laboratory to perform full-core, steady state coolant and fuel pin temperature calculations in reactors consisting of hexagonal, ducted assemblies. DASSH is a first-order, finite volume subchannel code based on methodologies initially introduced in the legacy thermal hydraulics codes SUPERENERGY-2 and SE2-ANL. It can work coupled with the Argonne Reactor Computational (ARC) code suite to obtain neutron and gamma power distributions based on neutron transport solutions and features many improvements and new capabilities compared to its predecessors. DASSH calculates temperatures by balancing energy between subchannels and relies on correlations to account for flow distribution and coolant mixing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Radial drift of plasma blobs in a toroidal magnetic field with fully kinetic and reduced fluid models

In curved magnetic geometries, field-aligned regions of enhanced plasma pressure and density, termed ‘blobs,’ move as coherent filaments across the magnetic field lines. Coherent blobs account for a significant fraction of transport at the edges of magnetic fusion experiments and arise in naturally-occurring space plasmas. This work examines the dynamics of blobs with a fully kinetic electromagnetic particle-in-cell code and with a drift-reduced fluid code. In low-beta regimes with moderate blob speeds, good agreement is found in the maximum blob velocity between the two simulation schemes and simple analytical estimates. The fully kinetic code demonstrates that blob speeds saturate near the initial sound speed, which is a regime outside the validity of the reduced fluid model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Higher-order derivative correlations and the alignment of small-scale structures in isotropic numerical turbulence

The classical approach to the investigation of small-scale intermittency in turbulence is based on the higher-order derivative correlations such as skewness and flatness factors. In the study of the small scales, numerial simulations can provide more detail than experiments. In the present paper, a variety of velocity- and scalar-derivative correlations are calculated over a range of Reynolds numbers. Particular attention is given to third- and fourth-order correlations, taking into account also some fifth- and sixth-order correlations to allow comparisons with the phenomenological models. The governing equations are the incompresssible Navier-Stokes equation for the velocity and transport equation for a passive scalar. Two numerical codes are used for the simulations presented. Attention is given to details regarding the numerical method used, forcing, simulation parameters, spectra and skewnesses, and graphics.

Kerr, R. M.↗