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At least 595 records · Page 33

Implicit Large-Eddy Simulations of Compressible Mixing Layers

Implicit large-eddy simulations of the self-similar regions of two compressible mixing layers at high Reynolds number and convective Mach numbers of 0.381 and 0.690 were carried out. Experimental data was used as the input into a synthetic eddy method turbulent inflow boundary condition to initiate simulations. Computational grids with nearly isotropic cells were used and the grid counts ranged from 24 to 270 million points. Agreement with experimental velocity and Reynolds stress data was good given the simplifications of the simulation. The decrease in mixing layer growth rate with increasing compressibility compares well with the literature. Budgets for the Reynolds stress transport equation were extracted from the simulations. It was demonstrated that the grids used did not resolve the dissipation term at the experimental Reynolds number. However, low Reynolds number simulations indicate that the numerical dissipation replaces the physical dissipation and the dissipation term in the transport equation can be represented by the summation term that quantifies the imbalance in the budget. The budgets for the high Reynolds number mixing layers agree well with previous low Reynolds number studies; indicating that the primary mechanism for the reduced growth rate and increased anistropy of the Reynolds stress tensor due to compressibility is a reduction in the pressure-strain and production terms. A new scaling based on the magnitude of the Reynolds stress tensor is proposed. This scaling provides better relative comparisons between the data and shows that the decrease in pressure-strain in the shear component is the primary driver in reducing the transverse normal stress.

turbulence↗

A Parallel, Fully Coupled, Fully Implicit Solution to Reactive Transport in Porous Media Using the Preconditioned Jacobian-Free Newton-Krylov Method

Modeling large multicomponent reactive transport systems in porous media is particularly challenging when the governing partial differential algebraic equations (PDAEs) are highly nonlinear and tightly coupled due to complex nonlinear reactions and strong solution-media interactions. Here we present a preconditioned Jacobian-Free Newton-Krylov (JFNK) solution approach to solve the governing PDAEs in a fully coupled and fully implicit manner. A well-known advantage of the JFNK method is that it does not require explicitly computing and storing the Jacobian matrix during Newton nonlinear iterations. Our approach further enhances the JFNK method by utilizing physics-based, block preconditioning and a multigrid algorithm for efficient inversion of the preconditioner. This preconditioning strategy accounts for self- and optionally, cross-coupling between primary variables using diagonal and off-diagonal blocks of an approximate Jacobian, respectively. Numerical results are presented demonstrating the efficiency and massive scalability of the solution strategy for reactive transport problems involving strong solution-mineral interactions and fast kinetics. We found that the physics-based, block preconditioner significantly decreases the number of linear iterations, directly reducing computational cost; and the strongly scalable algebraic multigrid algorithm for approximate inversion of the preconditioner leads to excellent parallel scaling performance.

97 MATHEMATICS AND COMPUTING↗

Adaptive Implicit Non-Equilibrium Radiation Diffusion

We describe methods for accurate and efficient long term time integra- tion of non-equilibrium radiation diffusion systems: implicit time integration for effi- cient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while control- ling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Philip, Bobby↗

A projection preconditioner for solving the implicit immersed boundary equations

This study presents a method for solving the linear semi-implicit immersed boundary equations which avoids the severe time step restriction presented by explicit-time methods. The Lagrangian variables are eliminated via a Schur complement to form a purely Eulerian saddle point system, which is preconditioned by a projection operator and then solved by a Krylov subspace method. From the viewpoint of projection methods, we derive an ideal preconditioner for the saddle point problem and compare the efficiency of a number of simpler preconditioners that approximate this perfect one. For low Reynolds number and high stiffness, one particular projection preconditioner yields an efficiency improvement of the explicit IB method by a factor around thirty. Substantial speed-ups over explicit-time method are achieved for Reynolds number below 100. In conclusion, this speedup increases as the Eulerian grid size and/or the Reynolds number are further reduced.

42 ENGINEERING↗

IMPLEMENTATION AND VALIDATION OF A FULLY IMPLICIT ACCUMULATOR MODEL IN RELAP-7

This paper presents the implementation and validation of an accumulator model in RELAP-7 under the framework of preconditioned Jacobian free Newton Krylov (JFNK) method, based on the similar model used in RELAP5. RELAP-7 is a new nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). RELAP-7 is a fully implicit system code. The JFNK and preconditioning methods used in RELAP-7 is briefly discussed. The slightly modified accumulator model is summarized for completeness. The implemented model was validated with LOFT L3-1 test and benchmarked with RELAP5 results. RELAP-7 and RELAP5 had almost identical results for the accumulator gas pressure and water level, although there were some minor difference in other parameters such as accumulator gas temperature and tank wall temperature. One advantage of the JFNK method is its easiness to maintain and modify models due to fully separation of numerical methods from physical models. It would be straightforward to extend the current RELAP-7 accumulator model to simulate the advanced accumulator design.

Accumulator↗

Developing A Fully Implicit Compressible Flow Valve Model in RELAP-7 and Its Application in Short Term BWR Station Black-Out Analyses

This paper presents a set of dynamical models for SRV simulation and their implementation in the RELAP-7 code, which is a new reactor system analysis code being developed at INL. RELAP-7 is based on the MOOSE (the Multi-Physics Object-Oriented Simulation Environment) framework. The compressible flow SRV model covers three different sets of models: fully closed case, subsonic case, and choking case. The RELAP-7 is a fully implicit code and the preconditioned Jacobian-free Newton-Krylov (JFNK) method is used to solve the discretized nonlinear problem. The JFNK method generally needs a good preconditioning scheme to be effective and efficient. There are different ways to precondition the JFNK method. In RELAP-7, two main options are used to obtain the preconditioning matrix: (1) FDP (Finite Difference Preconditioning) option which uses the default finite differencing method provided in the PETSc package. PETSc is the numerical solver software developed by Argonne National Laboratory and used by MOOSE as the numerical solution engine; (2) SMP (Single Matrix Preconditioning) option which requires code developers to provide approximate analytical Jacobian inputs for the important diagonal and off-diagonal terms. Due to the strong discontinuity in the residual vector space when the compressible flow valve model switches from one set of model to another, FDP option cannot guarantee convergence. Instead, accurate analytical Jacobain terms are provided for the compressible flow valve model. With the SMP option selected, the compressible flow valve model can be solved efficiently under different cases. The developed compressible flow valve model has been used for SRV component simulation in several simplified BWR SBO (Station Black-Out) simulations with RELAP-7. This paper only presents cases for short-term SBO in which all the safety systems fail to start and function properly when SBO occurs. Consequently, only the SRVs automatically open and close periodically to control the primary system pressure and discharge the high temperature and high pressure steam into the suppression pool. Although simplified, this case is quite similar to what happened in Fukushima Daiichi Unit 1. Unit 1 had no RCIC system, while the isolation condenser system was believed to be non-functioning, or only available for a very short period of time during the accident. Therefore, the Unit 1 reactor core reached a fuel failure temperature only a few hours into the accident. Two short-term SBO cases will be compared: one with single SRV discharge line which represents all the SRV lines and another case with multi-group SRVs which represent each group of SRV line with different setting points.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Generating an implicit voronoi mesh to decompose a domain of arbitrarily many dimensions

Described herein are technologies pertaining to generating a Voronoi mesh for an enclosed domain of arbitrarily many dimensions. An implicit Voronoi mesh is received that comprises locations of seeds in the domain. Neighbors of a seed are identified by extending a segment from the seed to the boundary of the domain and performing successive hyperplane trimming of the segment to identify a point on the facet of the Voronoi cell of the seed. A vertex of the cell can be identified by successively extending and trimming one or more additional spokes to identify points on a facet of the cell that are constrained to lie in a (d−n) space, where d is a number of dimensions of the domain and n is a number of iterations. A numerical simulation is performed based on the Voronoi mesh to generate simulation results in applications including surrogate modeling, global optimization, calibration, dimension reduction.

97 MATHEMATICS AND COMPUTING↗

Temperature-extrapolation method for Implicit Monte Carlo - Radiation hydrodynamics calculations

We present a method for implementing temperature extrapolation in Implicit Monte Carlo solutions to radiation hydrodynamics problems. The method is based on a BDF-2 type integration to estimate a change in material temperature over a time step. We present results for radiation only problems in an infinite medium and for a 2-D Cartesian hohlraum problem. Additionally, radiation hydrodynamics simulations are presented for an RZ hohlraum problem and a related 3D problem. Our results indicate that improvements in noise and general behavior are possible. We present considerations for future investigations and implementations. (authors)

97 MATHEMATICS AND COMPUTING↗

Solving implicit multi-mesh flow and conjugate heat transfer problems with RELAP-7

The fully implicit simulation capability of RELAP-7 to solve multi-mesh flow and conjugate heat transfer problems for reactor system safety analysis is presented. Compared to general single-mesh simulations, the reactor system safety analysis-type of code has unique challenges due to its highly simplified, interconnected, one-dimensional, and zero-dimensional flow network describing multiple physics with significantly different time and length scales. To use the Jacobian-free Newton Krylov-type of solver, preconditioning is generally required for the Krylov method. The uniqueness of the reactor safety analysis-type of code in treating the interconnected flow network and conjugate heat transfer also introduces challenges in providing preconditioning matrix. Typical flow and conjugate heat transfer problems involved in reactor safety analysis using RELAP-7, as well as the special treatment on the preconditioning matrix are presented in detail. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Implementation and validation of a fully implicit accumulator model in RELAP-7

This paper presents the implementation and validation of an accumulator model in RELAP-7 under the framework of preconditioned Jacobian free Newton Krylov (JFNK) method, based on the similar model used in RELAP5. RELAP-7 is a new nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). RELAP-7 is a fully implicit system code. The JFNK and preconditioning methods used in RELAP-7 is briefly discussed. The slightly modified accumulator model is summarized for completeness. The implemented model was validated with LOFT L3-1 test and benchmarked with RELAP5 results. RELAP-7 and RELAP5 had almost identical results for the accumulator gas pressure and water level, although there were some minor difference in other parameters such as accumulator gas temperature and tank wall temperature. One advantage of the JFNK method is its easiness to maintain and modify models due to fully separation of numerical methods from physical models. It would be straightforward to extend the current RELAP-7 accumulator model to simulate the advanced accumulator design. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Uncertainty-aware Continuous Implicit Neural Representations for Remote Sensing Object Counting

Many existing object counting methods rely on density map estimation (DME) of the discrete grid representation by decoding extracted image semantic features from designed convolutional neural networks (CNNs). Relying on discrete density maps not only leads to information loss dependent on the original image resolution, but also has a scalability issue when analyzing high-resolution images with cubically increasing memory complexity. Furthermore, none of the existing methods can offer reliable uncertainty quantification (UQ) for the derived count estimates. To overcome these limitations, we design UNcertainty-aware, hypernetwork-based Implicit neural representations for Counting (UNIC) to assign probabilities and the corresponding counting confidence over continuous spatial coordinates. We derive a sampling-based Bayesian counting loss function and develop the corresponding model training algorithm. UNIC outperforms existing methods on the Remote Sensing Object Counting (RSOC) dataset with reliable UQ and improved interpretability of the derived count estimates. Our code is available at https://github.com/SiyuanXu-tamu/UNIC.

97 MATHEMATICS AND COMPUTING↗

Forecasting Dark Matter Subhalo Constraints from Stellar Streams using Implicit Likelihood Inference

The evidence for dark matter (DM) remains compelling, although attempts to understand its particle nature remain inconclusive. One promising method to study DM is detecting DM subhalos through their gravitational interactions with stellar streams. In this study, we apply Neural Posterior Estimation (NPE) to constrain subhalo interaction parameters, including mass, scale radius, velocity, and encounter geometry, from stellar stream kinematics. We generate particle spray simulations based on the Lagrange Cloud stripping technique, focusing on the ATLAS-Aliqa Uma stream as a test case. We train multiple NPE models across multiple observational scenarios, quantifying how kinematic completeness affects inference and forecasting constraints from upcoming surveys including LSST, 4MOST, and 10-year Gaia data. Our results demonstrate that NPE can produce accurate and well-calibrated posteriors. In the idealized case with full 6D coordinates, we achieve subhalo mass uncertainties of 15-20% for a $10^7 \, \mathrm{M_\odot}$ subhalo, with 5D coordinates (excluding radial velocities) achieving similar performance. Under realistic observational conditions, mass uncertainties range from 50% (present-day) to 20-40% (future scenarios), with comparable performance between the photometric-only LSST sample and a smaller sample that includes Gaia proper motions and 4MOST radial velocities. Most notably, we find that velocity bimodality emerges when phase space is poorly sampled, whether due to missing kinematic information or limited stellar tracers. Combining large photometric samples with targeted spectroscopic follow-up can effectively resolves this degeneracy. These results demonstrate the power of implicit likelihood inference for optimizing stellar stream observational strategies and forecasting DM subhalo constraints from upcoming surveys.

Nguyen, Tri [Northwestern U. (main); SkAI, Chicago↗

A simplified all-frequency stable formulation with an implicit Coulomb gauge

A potential-based finite element formulation has been developed in the past to circumvent the low-frequency breakdown issues commonly encountered in electromagnetic (EM) simulations of low-frequency and multiscale problems. In this formulation, the magnetic vector and electric scalar potentials have been employed to express the electric field and magnetic flux, leading to a set of two equations that represents all four Maxwell’s equations and the current continuity equation. To enforce the Coulomb gauge, an auxiliary potential has been introduced, which results in a total of three equations to be solved simultaneously. To reduce the number of equations and unknowns needed in a simulation, a simplified formulation is proposed in this paper to enforce the Coulomb gauge implicitly without the need for the auxiliary potential. A numerical example is given to demonstrate the accuracy of the proposed formulation.

Mekonnen, Minyechil↗

High-Order Mesh hr-adaptivity for Surface Fitting to Implicit Geometries

We present an ℎ𝑟-adaptivity framework for morphing a given mesh to fit a target surface prescribed as the zero isocontour of a discrete function. In this framework, high-order meshing is posed as a variational minimization problem that depends on the mesh quality prescribed via the target matrix optimization paradigm (TMOP) and position of a subset of mesh nodes with respect to the target surface. The proposed formulation ensures that the variational problem is converged and mesh quality degradation near the surface is limited, even when the mesh topology is incompatible with the target surface. Additionally, a mesh subset-based approach and ℎ-refinement is introduced to efficiently increase fitting accuracy while reducing the computational cost of the mesh morphing problem. The ℎ𝑟-adaptivity technique extends to different element types in two- and three-dimensions, and can be used in existing finite element and spectral element frameworks to obtain high-order body-fitted meshes. Various numerical experiments demonstrate the robustness and accuracy of the fitting approach for problems of practical interest such as Lagrangian hydrodynamics and topology optimization.

97 MATHEMATICS AND COMPUTING↗

A fully-implicit high-order system thermal-hydraulics model for advanced non-LWR safety analyses

An advanced system analysis tool is being developed for advanced reactor safety analysis. This paper describes the underlying physics and numerical models used in the code, including the governing equations, the stabilization schemes, the high-order spatial and temporal discretization schemes, and the Jacobian Free Newton Krylov solution method. The effects of the spatial and temporal discretization schemes are investigated. Additionally, a series of verification test problems are presented to confirm the high-order schemes. Furthermore, it is demonstrated that the developed system thermal-hydraulics model can be strictly verified with the theoretical convergence rates, and that it performs very well for a wide range of flow problems with high accuracy, efficiency, and minimal numerical diffusions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Simulations of fluorescence solvatochromism in substituted PPV oligomers from excited state molecular dynamics with implicit solvent

In this study, an efficient method of treating solvent effects in excited state molecular dynamics (ESMD) is implemented and tested by exploring the solvatochromic effects in substituted p-phenylene vinylene oligomers. A continuum solvent model is used which has very little computational overhead. This allows simulations of ESMD with solvent effects on the scale of hundreds of picoseconds for systems of up to hundreds of atoms. At these time scales, solvatochromic shifts in fluoresence spectra can be described. Solvatochromic shifts in absorption and fluorescence spectra from ESMD are compared with time-dependent density functional theory calculations and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗