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At least 991 records · Page 55

High-order continuum kinetic method for modeling plasma dynamics in phase space

Continuum methods offer a high-fidelity means of simulating plasma kinetics. While computationally intensive, these methods are advantageous because they can be cast in conservation-law form, are not susceptible to noise, and can be implemented using high-order numerical methods. Advances in continuum method capabilities for modeling kinetic phenomena in plasmas require the development of validation tools in higher dimensional phase space and an ability to handle non-cartesian geometries. To that end, a new benchmark for validating Vlasov-Poisson simulations in 3D (x,v x ,v y ) is presented. The benchmark is based on the Dory-Guest-Harris instability and is successfully used to validate a continuum finite volume algorithm. To address challenges associated with non-cartesian geometries, unique features of cylindrical phase space coordinates are described. Preliminary results of continuum kinetic simulations in 4D (r,z,v r ,v z ) phase space are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nonlinear Diffusion Acceleration of the Least-Squares Transport Equation in Geometries with Voids

In this paper we show the extension of the Nonlinear-Diffusion Acceleration (NDA) to geometries containing small voids using a weighted least-squares (WLS) high order equation. Even though the WLS equation is well defined in voids, the low-order drift diffusion equation was not defined in materials with a zero cross section. This paper derives the necessary modifications to the NDA algorithm. We show that a small change to the NDA closure term and a non-local definition of the diffusion coefficient solve the problems for voids regions. These changes do not affect the algorithm for optical thick material regions, while making the algorithm well defined in optically thin ones. We use a Fourier analysis to perform an iterative analysis to confirm that the modifications result in a stable and efficient algorithm. Numerical results of our method will be presented in the second part of the paper. We test this formulation with a small, one-dimensional test problem. Additionally we present results for a modified version of the C5G7 benchmark containing voids as a more complex, reactor like problem. We compared our results to PDT, Texas A&M’s transport code, utilizing a first order discontinuous formulation as reference and the self-adjoint angular flux equation with void treatment (SAAFτ ), a different second order form. The results indicate, that the NDA WLS performed comparably or slightly worse then the asymmetric SAAFτ , while maintaining a symmetric discretization matrix.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Low-Temperature Oxidation Reactions and Cool Flames at Earth and Reduced Gravity

Non-isothermal studies of cool flames and low temperature oxidation reactions in unstirred closed vessels are complicated by the perturbing effects of natural convection at earth gravity. Buoyant convection due to self-heating during the course of slow reaction produces spatio-temporal variations in the thermal and thus specie concentration fields due to the Arrhenius temperature dependence of the reaction rates. Such complexities have never been quantitatively modeled and were the primary impetus for the development of CSTR's (continuously stirred tank reactors) 30 years ago. While CSTR's have been widely adopted since they offer the advantage of spatial uniformity in temperature and concentration, all gradients are necessarily destroyed along with any structure that may otherwise develop. Microgravity offers a unique environment where buoyant convection can be effectively minimized and the need for stirring eliminated. Moreover, eliminating buoyancy and the need for stirring eliminates complications associated with the induced hydrodynamic field whose influence on heat transport and hot spot formation, hence explosion limits, is not fully realized. The objective of this research is to quantitatively determine and understand the fundamental mechanisms that control the onset and evolution of low temperature reactions and cool flames in both static and flow reactors. Microgravity experiments will be conducted to obtain benchmark data on the structure (spatio-temporal temperature, concentration, flow fields), the dynamics of the chemical fronts, and the ignition diagrams (pressure vs. temperature). Ground-based experiments will be conducted to ascertain the role of buoyancy. Numerical simulations including detailed kinetics will be conducted and compared to experiment.

Pearlman, Howard↗

Carbon Back Sputter Modeling for Hall Thruster Testing

Lifetime requirements for electric propulsion devices, including Hall Effect thrusters, are continually increasing, driven in part by NASA's inclusion of this technology in it's exploration architecture. NASA will demonstrate high-power electric propulsion system on the Solar Electric Propulsion Technology Demonstration Mission (SEP TDM). The Asteroid Redirect Robotic mission is one candidate SEP TDM, which is projected to require tens of thousands of thruster life. As thruster life is increased, for example through the use of improved magnetic field designs, the relative influence of facility effects increases. One such effect is the sputtering and redeposition, or back sputter, of facility materials by the high energy thruster plumes. In support of wear testing for the Hall Effect Rocket with Magnetic Shielding (HERMeS) project, the back sputter from a Hall effect thruster plume has been modeled for the NASA Glenn Research Center's Vacuum Facility 5. The predicted wear at a near-worst case condition of 600 V, 12.5 kW was found to be on the order of 1 micron/kh in a fully carbon-lined chamber. A more detailed numerical Monte Carlo code was also modified to estimate back sputter for a detailed facility and pumping configuration. This code demonstrated similar back sputter rate distributions, but is not yet accurately modeling the magnitudes. The modeling has been benchmarked to recent HERMeS wear testing, using multiple microbalance measurements. These recent measurements have yielded values on the order of 1.5 - 2 micron/kh at 600 V and 12.5 kW.

Propulsion↗

Carbon Back Sputter Modeling for Hall Thruster Testing

In support of wear testing for the Hall Effect Rocket with Magnetic Shielding (HERMeS) program, the back sputter from a Hall effect thruster plume has been modeled for the NASA Glenn Research Centers Vacuum Facility 5. The predicted wear at a near-worst case condition of 600 V, 12.5 kW was found to be on the order of 3 4 mkhour in a fully carbon-lined chamber. A more detailed numerical monte carlo code was also modified to estimate back sputter for a detailed facility and pumping configuration. This code demonstrated similar back sputter rate distributions, but is not yet accurately modeling the magnitudes. The modeling has been benchmarked to recent HERMeS wear testing, using multiple microbalance measurements. These recent measurements have yielded values, on the order of 1.5- 2 microns/khour.

Facility↗

Modeling and simulation challenges for softgoods in space deployable structures

This paper examines modeling and simulation challenges for deployable spacecraft structures with softgood components. Previous studies highlighted the numerical challenges due to the mixture of high stiffness and low stiffness contact in this class of structures. This paper examines the use of the commercial LS-DYNA nonlinear finite element code on a set of relevant benchmark problems.

Mobrem, Mehran↗

Accelerating Radiation Computations for Dynamical Models With Targeted Machine Learning and Code Optimization

Abstract Atmospheric radiation is the main driver of weather and climate, yet due to a complicated absorption spectrum, the precise treatment of radiative transfer in numerical weather and climate models is computationally unfeasible. Radiation parameterizations need to maximize computational efficiency as well as accuracy, and for predicting the future climate many greenhouse gases need to be included. In this work, neural networks (NNs) were developed to replace the gas optics computations in a modern radiation scheme (RTE+RRTMGP) by using carefully constructed models and training data. The NNs, implemented in Fortran and utilizing BLAS for batched inference, are faster by a factor of 1–6, depending on the software and hardware platforms. We combined the accelerated gas optics with a refactored radiative transfer solver, resulting in clear‐sky longwave (shortwave) fluxes being 3.5 (1.8) faster to compute on an Intel platform. The accuracy, evaluated with benchmark line‐by‐line computations across a large range of atmospheric conditions, is very similar to the original scheme with errors in heating rates and top‐of‐atmosphere radiative forcings typically below 0.1 K day −1 and 0.5 W m −2 , respectively. These results show that targeted machine learning, code restructuring techniques, and the use of numerical libraries can yield material gains in efficiency while retaining accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A continuum meshfree method for sandbox-style numerical modeling of accretionary and doubly vergent wedges

Here, in this study, we introduce and utilize GEOSPH, a Lagrangian particle-based continuum Smoothed Particle Hydrodynamics (SPH) code to simulate the deformation of geologic materials in sandbox-style experiments using an elastoplastic constitutive model. Due to the meshfree nature of SPH, our proposed framework is capable of handling the large deformations characteristic of sandbox-style experiments. SPH is also able to capture strain localization and discontinuities, allowing us to resolve faulting patterns emerging in the sandbox experiments. We successfully validate our SPH implementation against the benchmark experiments of Buiter and co-workers, and then apply SPH to understand the deformational processes occurring in doubly vergent orogens resultant from the S-point experimental setup and from finitely high wedge-like indenter backstops of different inclinations. We find that the topographic slope of the prowedge results from the competing processes of vertical uplift due to the indenter and forward thrusting, while the topographic slope of the retrowedge is a product of repeated shallow slope failure. Our findings show that SPH is a promising numerical method which should be added to the current palette of computational tools used by structural geologists for solving problems relating to tectonics and crustal deformation.

58 GEOSCIENCES↗

Compatible meshfree discretization of surface PDEs

Meshfree discretization of surface partial differential equations is appealing, due to their ability to naturally adapt to deforming motion of the underlying manifold. In this work, we consider an existing scheme proposed by Liang et al. reinterpreted in the context of generalized moving least squares (GMLS), showing that existing numerical analysis from the GMLS literature applies to their scheme. With this interpretation, their approach may then be unified with recent work developing compatible meshfree discretizations for the div-grad problem in R d . Informally, this is analogous to an extension of collocated finite differences to staggered finite difference methods, but in the manifold setting and with unstructured nodal data. In this way, we obtain a compatible meshfree discretization of elliptic problems on manifolds which is naturally stable for problems with material interfaces, without the need to introduce numerical dissipation or local enrichment near the interface. As a result, we provide convergence studies illustrating the high-order convergence and stability of the approach for manufactured solutions and for an adaptation of the classical five-strip benchmark to a cylindrical manifold.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

{delta}f Monte Carlo calculation of neoclassical transport in perturbed tokamaks

Non-axisymmetric magnetic perturbations can fundamentally change neoclassical transport in tokamaks by distorting particle orbits on deformed or broken flux surfaces. This so-called non-ambipolar transport is highly complex, and eventually a numerical simulation is required to achieve its precise description and understanding. A new {delta}f particle orbit code (POCA) has been developed for this purpose using a modified pitch-angle collision operator preserving momentum conservation. POCA was successfully benchmarked for neoclassical transport and momentum conservation in the axisymmetric configuration. Non-ambipolar particle flux is calculated in the non-axisymmetric case, and the results show a clear resonant nature of non-ambipolar transport and magnetic braking. Neoclassical toroidal viscosity (NTV) torque is calculated using anisotropic pressures and magnetic field spectrum, and compared with the combined and 1/{nu} NTV theory. Calculations indicate a clear {delta}B{sup 2} scaling of NTV, and good agreement with the theory on NTV torque profiles and amplitudes depending on collisionality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Alternating and Gaussian Fermionic Isometric Tensor Network States

Isometric tensor networks in two dimensions enable efficient and accurate study of quantum many-body states, yet the effect of the isometric restriction on the represented quantum states is not fully understood. We address this question in two main contributions. First, we introduce an improved variant of isometric tensor network states (isoTNS) in two dimensions, where the isometric arrows on the columns of the network alternate between pointing upward and downward; hence the name alternating isometric tensor network states. Second, we introduce a numerical tool—the isometric Gaussian fermionic TNS (isoGfTNS)—that incorporates isometric constraints into the framework of Gaussian fermionic tensor network states. We demonstrate in numerous ways that alternating isoTNSs represent many-body ground states of two-dimensional quantum systems significantly better than the original isoTNSs. First, we show that the entanglement in an isoTNS is mediated along the isometric arrows and that alternating isoTNSs mediate entanglement more efficiently than conventional isoTNSs. Second, alternating isoTNSs correspond to a deeper, and thus more representative, sequential-circuit construction of depth 𝒪⁢(𝐿𝑥 ⋅𝐿𝑦) compared to the original isoTNSs of depth 𝒪⁢(𝐿𝑥 +𝐿𝑦). Third, using the Gaussian framework and gradient-based energy minimization, we provide numerical evidence of better bond-dimension scaling and variational energy of alternating isoGfTNSs for ground states of various free-fermionic models, including the Fermi surface, the band insulator, and the 𝑝𝑥 +𝑖⁢𝑝𝑦 mean-field superconductor. Finally, benchmarking on the transverse-field Ising model, we demonstrate that an alternating isoTNS provides substantially improved performance and stability relative to the original isoTNS for the ground-state search algorithm in interacting systems.

Wu, Yantao [Chinese Academy of Sciences, Beijing (↗

Benchmark Performance Metrics of a Vane Propellant Management Device for a 0.15 m3 Liquid Hydrogen Tank

The use of cryogenic propellants has and will continue to play an integral role in manned-space exploration due the high specific impulses offered and its ubiquity through in-situ resource utilization. But guaranteeing vapor-free transfer of such low-surface tension liquids is difficult for traditional capillary-action propellant management devices (PMDs). Screen-channel liquid acquisition devices and compliant origami bladders are potential solutions, but to quantify the benefits these technologies offer, this paper present a cast study analyzing the performance metrics of an orthodox vane PMD as a benchmark for comparison. A 0.15 m3 liquid hydrogen tank at 20.3 K and 103 kPa was selected for study. Then assuming no body forces and no heat transfer (for simplicity), a steady-state 1-D differential equation was numerically solved in tandem with four possible wetted area configurations to yield an expulsion efficiency for a theoretically maximum inputted expulsion flow rate. Maximization of the flow rate was constrained by the onset of choked flow. Additional inputs, including vane height and vane number, were parametrically varied between 0.1 – 10 cm and 4 – 28 vanes, respectively.

Liquid Acquisition Device↗

SOLVING CONJUGATE HEAT TRANSFER PROBLEM IN TWO-PHASE FLOW USING NEWTON-KRYLOV METHOD

In this paper, we successfully demonstrated an application of the Jacobian-free Newton Krylov (JFNK) method in solving the conjugated two-phase channel flow and heat conduction problem, in a fully coupled and fully implicit manner. Such a problem represents the most fundamental piece of safety analysis codes, for example the heat transfer between fuel rods and reactor coolant during postulated accidental scenarios. The two-phase flow is modeled with the widely accepted one-dimensional two-fluid two-phase flow model, and the heat conduction is modeled with two-dimensional heat conduction model. The coupling between these two physics is realized through the wall heat transfer term in fluid equations and heat flux boundary conditions of heat conduction model. For spatial discretization, both the first-order and second- order upwind schemes are considered for flow equations, while the standard central differencing method is used for the heat conduction model. For time integration, both the first-order backward Euler (BDF1) and second-order BDF2 schemes are considered. Several treatments were also introduced to enhance the robustness of the JFNK method in solving such a problem that is discontinuous in nature because of the discrete closure correlations. These treatments include the re-introduction of a transition region between the slug and annular mist flow regimes, and a simplification in the interfacial drag term. Numerical results have been extensively validated with experimental data in both vertical pipe and rod bundle geometries with a wide range of thermal-hydraulics conditions, including pressure, inlet subcooling, wall heat flux, outlet void fraction, and etc. Further benchmark with the RELAP5-3D code confirms the correct implementation of wall heat transfer models.

42 ENGINEERING↗

Quantifying structural errors in cloud condensation nuclei activity from reduced representation of aerosol size distributions

Aerosol effects on clouds and radiation are the dominant contribution to uncertainty in radiative forcing relative to the pre-industrial atmosphere. While previous studies have assessed the impact of parametric uncertainty on modeled forcing, structural errors from the numerical representation of particle distributions have not been well quantified. Here we present a framework for quantifying error in aerosol size distributions and cloud condensation nuclei activity, which we apply to the widely used 4-mode version of the Modal Aerosol Module (MAM4). Box model predictions from the MAM4 are evaluated against the Particle Monte Carlo Model for Simulating Aerosol Interactions and Chemistry (PartMC-MOSAIC), a benchmark model that tracks the evolution of individual particles. We show that size distributions simulated by MAM4 diverge from those simulated by PartMC-MOSAIC after only a few hours of aging by condensation and coagulation in polluted conditions, which leads to large errors in modeled cloud condensation nuclei concentrations. We find that differences between MAM4 and PartMC-MOSAIC are largest under polluted conditions, where the size distribution evolves rapidly though aging by condensation of semi-volatile substances and coagulation among particles. These findings suggest that structural error in modeled aerosol properties contributes to the large inter-model variability in aerosol radiative forcing.

Fierce, Laura M.↗

DECOVALEX-2023: Task A Final Report

Task A, also known as HGFrac, examines the fracturing processes that may occur in the Callovo-Oxfordian claystone (COx) in the context of the high-level (HLW) and intermediate-level long-lived (ILW-LL) radioactive waste repository in France. Understanding these processes and improving numerical models to reproduce them will aid in the design, optimization, and safety of the repository. Heat and gas fracturing are studied in two independent subtasks following a stepwise approach: laboratory tests/benchmark exercises, in-situ experiment, and finally, an application case. The in-situ heater experiment aimed to thermally induce a hydraulic fracture; temperature and pore pressure were monitored to detect any evidence of fracturing. The in-situ gas injection experiment aimed to study the effect of the stress orientation and gas injection kinetics on the gas fracturing process. The occurrence of fracturing was monitored by gas pressure measured in the injection interval. In both experiments, the excavation-induced fracture network around the heater/injection boreholes played an important role in the reduction of the compressive stress state, leading to both a tensile and shear failure response of the COx. During the first two years of the project, the research teams working on each task developed and/or proposed numerical approaches for reproducing the occurrence of fracturing in the in-situ experiments. The failure criteria were defined by reproducing the measurements from laboratory extension tests for the heat fracturing subtask. In the gas fracturing subtask, their approaches were used for simulating several benchmark exercises, and an inter-comparison between models was carried out. In both tasks, the developed approaches were compared with a simplified approach considering poro-elasticity for the mechanical behaviour of the COx. Most of the developed approaches are based on a continuous medium that takes into account variations in hydraulic properties due to mechanical degradation, such as plastic deformation or damage. Other approaches implicitly modelled weak planes or embedded discontinuities to reproduce fracture propagation. The potential for fracture initiation was also studied through of a discrete approach. In the second half of the project, the research teams mainly focused on interpretative modelling of two in-situ experiments and a blind prediction exercise to test their respective approaches. The models developed by the research teams were also applied at the repository scale to evaluate fracture initiation in a case study under vi unfavourable conditions, particularly in terms of spacing between High-Level Waste cells. The results showed that the poro-elasticity approach could be an efficient tool for understanding the main processes occurring in the COx. One example is the explicit representation of the excavation-induced fracture network around the boreholes, which yielded acceptable results compared to the measurement data. However, advanced approaches were needed to evaluate the potential increase of the excavation-induced fracture network extend and better understand fracture initiation. The stress analyses carried out by the teams revealed that hydraulic boundary conditions had a strong impact on fracture initiation in the heater experiment. Furthermore, in most cases, the results required higher pore pressure increments to reach fracturing than those measured in the experiment. This implies that the measurements may have been biased by the packer’s capacity to fully isolate the piezometric chambers, leading to lower pressures. On the contrary, there was no agreement on the fracturing mode, as some reported either shear or tensile fracturing, while others reported a combination of the two modes. In the case of gas fracturing, the research teams were limited to the comparison of a single point, which complicated their task. Nonetheless, the numerical results were able to reproduce the measurements and capture processes such as longitudinal gas flow through the excavation-induced fracture network, as suggested by some evidence in the observation piezometric chambers. The numerical models also agreed with the measurements in the sense of higher probability of developing along the injection borehole than radially towards the sound rock. The approaches developed by the research teams showed that they are capable of analysing and reproducing fracture initiation in the COx. However, areas of future work should focus on the fracture propagation and fracture aperture, which were out of the scope of this task. To this end, additional data must be gathered for the parameter characterisation and validation of the numerical models. Nonetheless, various approaches showed promising results as they were able to reproduce fracture development under certain conditions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nuclear three-body problem in the complex energy plane: Complex-scaling Slater method

The physics of open quantum systems is an interdisciplinary area of research. The nuclear “openness” manifests itself through the presence of the many-body continuum representing various decay, scattering, and reaction channels. As the radioactive nuclear beam experimentation extends the known nuclear landscape toward the particle drip lines, the coupling to the continuum space becomes exceedingly more important. Of particular interest are weakly bound and unbound nuclear states appearing around particle thresholds. Theories of such nuclei must take into account their open quantum nature. To describe open quantum systems, we introduce a complex-scaling (CS) approach in the Slater basis. We benchmark it with the complex-energy Gamow shell model (GSM) by studying energies and wave functions of the bound and unbound states of the two-neutron halo nucleus 6 He viewed as an $α + n + n$ cluster system. Both CS and GSM approaches are applied to a translationally invariant Hamiltonian with the two-body interaction approximated by the finite-range central Minnesota force. In the CS approach, we use the Slater basis, which exhibits the correct asymptotic behavior at large distances. To extract particle densities from the back-rotated CS solutions, we apply the Tikhonov regularization procedure, which minimizes the ultraviolet numerical noise. In this paper, we show that the CS-Slater method is both accurate and efficient. Its equivalence to the GSM approach has been demonstrated numerically for both energies and wave functions of 6 He. One important technical aspect of our calculation was to fully retrieve the correct asymptotic behavior of a resonance state from the complex-scaled (square-integrable) wave function. While standard applications of the inverse complex transformation to the complex-rotated solution provide unstable results, the stabilization method fully reproduces the GSM benchmark. We also propose a method to determine the smoothing parameter of the Tikhonov regularization. The combined suite of CS-Slater and GSM techniques has many attractive features when applied to nuclear problems involving weakly bound and unbound states. While both methods can describe energies, total widths, and wave functions of nuclear states, the CS-Slater method—if it can be applied—can provide additional information about partial energy widths associated with individual thresholds.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Mathematical efficiency calibration with uncertain source geometries using smart optimization

The In Situ Object Counting Software (ISOCS), a mathematical method developed by CANBERRA, is a well established technique for computing High Purity Germanium (HPGe) detector efficiencies for a wide variety of source shapes and sizes. In the ISOCS method, the user needs to input the geometry related parameters such as: the source dimensions, matrix composition and density, along with the source-to-detector distance. In many applications, the source dimensions, the matrix material and density may not be well known. Under such circumstances, the efficiencies may not be very accurate since the modeled source geometry may not be very representative of the measured geometry. CANBERRA developed an efficiency optimization software known as 'Advanced ISOCS' that varies the not well known parameters within user specified intervals and determines the optimal efficiency shape and magnitude based on available benchmarks in the measured spectra. The benchmarks could be results from isotopic codes such as MGAU, MGA, IGA, or FRAM, activities from multi-line nuclides, and multiple counts of the same item taken in different geometries (from the side, bottom, top etc). The efficiency optimization is carried out using either a random search based on standard probability distributions, or using numerical techniques that carry out a more directed (referred to as 'smart' in this paper) search. Measurements were carried out using representative source geometries and radionuclide distributions. The radionuclide activities were determined using the optimum efficiency and compared against the true activities. The 'Advanced ISOCS' method has many applications among which are: Safeguards, Decommissioning and Decontamination, Non-Destructive Assay systems and Nuclear reactor outages maintenance. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

ReactionMechanismSimulator.jl: A modern approach to chemical kinetic mechanism simulation and analysis

Abstract We present ReactionMechanismSimulator.jl (RMS), a modern differentiable software for the simulation and analysis of chemical kinetic mechanisms, including multiphase systems. RMS has already been applied to problems in combustion, pyrolysis, polymers, pharmaceuticals, catalysis, and electrocatalysis. RMS is written in Julia, making it easy to develop and allowing it to take advantage of Julia's extensive numerical computing ecosystem. In addition to its extensive library of optimized analytic Jacobians, RMS can generate and use Jacobians computed using automatic differentiation and symbolically generated analytic Jacobians. RMS is demonstrated to be faster than Cantera and Chemkin in several benchmarks. RMS also implements an extensive set of features for analyzing chemical mechanisms, including a library of easy‐to‐call plotting functions, molecular structure resolved flux diagram generation, crash analysis, traditional sensitivity analysis, transitory sensitivity analysis, and an automatic mechanism analysis toolkit. RMS implements efficient adjoint and parallel forward sensitivity analyses. We also demonstrate the ease of adding new features to RMS.

Johnson, Matthew S.↗