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At least 793 records · Page 44

Modifying PASVART to solve singular nonlinear 2-point boundary problems

To study the buckling and post-buckling behavior of shells and various other structures, one must solve a nonlinear 2-point boundary problem. Since closed-form analytic solutions for such problems are virtually nonexistent, numerical approximations are inevitable. This makes the availability of accurate and reliable software indispensable. In a series of papers Lentini and Pereyra, expanding on the work of Keller, developed PASVART: an adaptive finite difference solver for nonlinear 2-point boundary problems. While the program does produce extremely accurate solutions with great efficiency, it is hindered by a major limitation. PASVART will only locate isolated solutions of the problem. In buckling problems, the solution set is not unique. It will contain singular or bifurcation points, where different branches of the solution set may intersect. Thus, PASVART is useless precisely when the problem becomes interesting. To resolve this deficiency we propose a modification of PASVART that will enable the user to perform a more complete bifurcation analysis. PASVART would be combined with the Thurston bifurcation solution: as adaptation of Newton's method that was motivated by the work of Koiter 3 are reinterpreted in terms of an iterative computational method by Thurston.

Fulton, James P.↗

Application of the TITAN Hybrid Deterministic Transport Code to Medical Physics - Paper 118

The TITAN code is a 3-dimensional parallel deterministic transport code that solves the linear Boltzmann equation. The TITAN code has hybrid algorithms that are ideal for medical physics applications: i) SN and characteristics method and ii) SN with a fictitious quadrature set and ray-tracing. These hybrid algorithms have been used in the simulation of computed tomography (CT) and single photon emission computed tomography (SPECT) In this paper, the hybrid algorithms developed for medical physics applications in the TITAN code are discussed. First, the TITAN code's block-oriented approach for utilizing SN and characteristic solvers for CT is presented and results for a simple test case are given. Second, the paper describes a hybrid formulation for SPECT with an SN solver in the phantom, a fictitious quadrature set for directions from the phantom surface passing through the collimator, and a simplified ray-tracing algorithm for particle transport to the detector. Finally, ongoing work is described and concluding remarks are given. The TITAN code's hybrid algorithms allow it to efficiently solve problems with low-scatter regions, which are frequently found in medical physics applications. The TITAN code has been used to solve a simplified CT problem and generate projection images for SPECT simulations. The WCOS technique was developed to improve the TITAN code's collimator representation. For these applications, the TITAN code was shown to require significantly less computation time than MCNP5. Work is currently underway to implement an iterative image reconstruction algorithm in the TITAN code. A script that calls the TITAN code to complete the forward projection step in SPECT has already been used to reconstruction a 2-dimensional phantom. The ability of TITAN to fully model particle transport in the patient in short computation times is expected to be a great advantage to iterative reconstruction. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

An Efficient High-Order Solver for Diffusion Equations with Strong Anisotropy on Non-Anisotropy-Aligned Meshes

This paper concerns numerical solution of the diffusion equation with strong anisotropy on meshes not aligned with the anisotropic vector field. In order to resolve the numerical pollution for simulations on a non-anisotropy-aligned mesh and reduce the associated high computational cost we propose an effective preconditioner, extending our previous work. Similar to the anisotropy-aligned mesh case, we apply the auxiliary space preconditioning framework to design a preconditioner where a continuous finite element space is used as the auxiliary space for the discontinuous finite element space. The key component is an effective line smoother that can mitigate the high-frequency errors perpendicular to the magnetic field. We design a graph-based approach to find such a line smoother that is approximately perpendicular to the vector fields when the mesh does not align with the anisotropy. Finally, numerical experiments for several benchmark problems are presented, demonstrating the effectiveness and robustness of the proposed preconditioner when applied to Krylov iterative methods.

97 MATHEMATICS AND COMPUTING↗

Preconditioned steepest descent methods for some nonlinear elliptic equations involving p-Laplacian terms

We describe and analyze preconditioned steepest descent (PSD) solvers for fourth and sixth-order nonlinear elliptic equations that include p-Laplacian terms on periodic domains in 2 and 3 dimensions. The highest and lowest order terms of the equations are constant-coefficient, positive linear operators, which suggests a natural preconditioning strategy. Such nonlinear elliptic equations often arise from time discretization of parabolic equations that model various biological and physical phenomena, in particular, liquid crystals, thin film epitaxial growth and phase transformations. The analyses of the schemes involve the characterization of the strictly convex energies associated with the equations. We first give a general framework for PSD in Hilbert spaces. Based on certain reasonable assumptions of the linear pre-conditioner, a geometric convergence rate is shown for the nonlinear PSD iteration. We then apply the general theory to the fourth and sixth-order problems of interest, making use of Sobolev embedding and regularity results to confirm the appropriateness of our pre-conditioners for the regularized p-Lapacian problems. Our results include a sharper theoretical convergence result for p-Laplacian systems compared to what may be found in existing works. We demonstrate rigorously how to apply the theory in the finite dimensional setting using finite difference discretization methods. Numerical simulations for some important physical application problems – including thin film epitaxy with slope selection and the square phase field crystal model – are carried out to verify the efficiency of the scheme.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A scalable nonlinear fluid–structure interaction solver based on a Schwarz preconditioner with isogeometric unstructured coarse spaces in 3D

Nonlinear fluid-structure interaction (FSI) problems on unstructured meshes in 3D appear many applications in science and engineering, such as vibration analysis of aircrafts and patient-specific diagnosis of cardiovascular diseases. In this work, we develop a highly scalable, parallel algorithmic and software framework for FSI problems consisting of a nonlinear fluid system and a nonlinear solid system, that are coupled monolithically. The FSI system is discretized by a stabilized finite element method in space and a fully implicit backward difference scheme in time. To solve the large, sparse system of nonlinear algebraic equations at each time step, we propose an inexact Newton-Krylov method together with a multilevel, smoothed Schwarz preconditioner with isogeometric coarse meshes generated by a geometry preserving coarsening algorithm. Here ''geometry'' includes the boundary of the computational domain and the wet interface between the fluid and the solid. We show numerically that the proposed algorithm and implementation are highly scalable in terms of the number of linear and nonlinear iterations and the total compute time on a supercomputer with more than 10,000 processor cores for several problems with hundreds of millions of unknowns.

97 MATHEMATICS AND COMPUTING↗

A stable partitioned FSI algorithm for incompressible flow and deforming beams

An added-mass partitioned (AMP) algorithm is described for solving fluid–structure interaction (FSI) problems coupling incompressible flows with thin elastic structures undergoing finite deformations. The new AMP scheme is fully second-order accurate and stable, without sub-time-step iterations, even for very light structures when added-mass effects are strong. The fluid, governed by the incompressible Navier–Stokes equations, is solved in velocity-pressure form using a fractional-step method; large deformations are treated with a mixed Eulerian-Lagrangian approach on deforming composite grids. The motion of the thin structure is governed by a generalized Euler–Bernoulli beam model, and these equations are solved in a Lagrangian frame using two approaches, one based on finite differences and the other on finite elements. The key AMP interface condition is a generalized Robin (mixed) condition on the fluid pressure. This condition, which is derived at a continuous level, has no adjustable parameters and is applied at the discrete level to couple the partitioned domain solvers. Special treatment of the AMP condition is required to couple the finite-element beam solver with the finite-difference-based fluid solver, and two coupling approaches are described. A normal-mode stability analysis is performed for a linearized model problem involving a beam separating two fluid domains, and it is shown that the AMP scheme is stable independent of the ratio of the mass of the fluid to that of the structure. A traditional partitioned (TP) scheme using a Dirichlet–Neumann coupling for the same model problem is shown to be unconditionally unstable if the added mass of the fluid is too large. A series of benchmark problems of increasing complexity are considered to illustrate the behavior of the AMP algorithm, and to compare the behavior with that of the TP scheme. The results of all these benchmark problems verify the stability and accuracy of the AMP scheme. Results for one benchmark problem modeling blood flow in a deforming artery are also compared with corresponding results available in the literature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical Analysis of Fixed Point Algorithms in the Presence of Hardware Faults

The exponential growth of computational power of the extreme scale machines over the past few decades has led to a corresponding decrease in reliability and a sharp increase of the frequency of hardware faults. Our research focuses on the mathematical challenges presented by the silent hardware faults. i.e., faults that can perturb the result of computations in an inconspicuous way. Using the approach of selective reliability we present an analytic fault mode that can be used to study the resilience properties of a numerical algorithm. We apply our approach to the classical fixed point iteration and demonstrate that in the presence of hardware faults, the classical method fails to converge in expectation. We preset a modified resilient algorithm that detects and rejects faults resulting in error with large magnitude, while small faults are negated by the natural self-correcting properties of the algorithm. We show that our method is convergent (in first and second statistical moments) even in the presence of silent hardware faults.

algorithmic resilience↗

Randomized Preconditioned Solvers for Strong Constraint 4D-Var Data Assimilation

The Strong Constraint 4D Variational (SC-4DVAR) data assimilation method is widely used in climate and weather applications. SC-4DVAR involves solving a minimization problem to compute the maximum a posteriori estimate, which we tackle using the Gauss-Newton method. The computation of the descent direction is expensive since it involves the solution of a large-scale and potentially ill-conditioned linear system, solved using the preconditioned conjugate gradient (PCG) method. Here, to address this cost, we efficiently construct scalable preconditioners using three different randomization techniques, which all rely on a certain low-rank structure involving the Gauss-Newton Hessian. The proposed techniques come with theoretical guarantees on the condition number, and at the same time, are amenable to parallelization. We also develop an adaptive approach to estimate the sketch size and choose between the reuse or recomputation of the preconditioner. We demonstrate the performance and effectiveness of our methodology on two representative model problems—the Burgers and barotropic vorticity equation—showing a drastic reduction in both the number of PCG iterations and the number of Gauss-Newton Hessian products after including the preconditioner construction cost.

Gauss-Newton↗

An immersed boundary method for fluid–structure interaction with compressible multiphase flows

This paper presents a two-dimensional immersed boundary method for fluid–structure interaction with compressible multiphase flows involving large structure deformations. This method involves three important parts: flow solver, structure solver and fluid–structure interaction coupling. In the flow solver, the compressible multiphase Navier–Stokes equations for ideal gases are solved by a finite difference method based on a staggered Cartesian mesh, where a fifth-order accuracy Weighted Essentially Non-Oscillation (WENO) scheme is used to handle spatial discretization of the convective term, a fourth-order central difference scheme is employed to discretize the viscous term, the third-order TVD Runge–Kutta scheme is used to discretize the temporal term, and the level-set method is adopted to capture the multi-material interface. In this work, the structure considered is a geometrically non-linear beam which is solved by using a finite element method based on the absolute nodal coordinate formulation (ANCF). The fluid dynamics and the structure motion are coupled in a partitioned iterative manner with a feedback penalty immersed boundary method where the flow dynamics is defined on a fixed Lagrangian grid and the structure dynamics is described on a global coordinate. We perform several validation cases (including fluid over a cylinder, structure dynamics, flow induced vibration of a flexible plate, deformation of a flexible panel induced by shock waves in a shock tube, an inclined flexible plate in a hypersonic flow, and shock-induced collapse of a cylindrical helium cavity in the air), and compare the results with experimental and other numerical data. The present results agree well with the published data and the current experiment. Finally, we further demonstrate the versatility of the present method by applying it to a flexible plate interacting with multiphase flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Global gyrokinetic simulations of ASDEX Upgrade up to the transport timescale with GENE–Tango

An accurate description of turbulence up to the transport timescale is essential for predicting core plasma profiles and enabling reliable calculations for designing advanced scenarios and future devices. Here, we exploit the gap separation between turbulence and transport timescales and couple the global gyrokinetic code GENE to the transport-solver Tango, including kinetic electrons, collisions, realistic geometries, toroidal rotation and electromagnetic effects for the first time. This approach overcomes gyrokinetic codes' limitations and enables high-fidelity profile calculations in experimentally relevant plasma conditions, significantly reducing the computational cost. We present numerical results of GENE–Tango for two ASDEX Upgrade discharges, one of which exhibits a pronounced peaking of the ion temperature profile not reproduced by TGLF–ASTRA. We show that GENE–Tango can correctly capture the ion temperature peaking observed in the experiment. By retaining different physical effects in the GENE simulations, e.g., collisions, toroidal rotation and electromagnetic effects, we show that the ion temperature profile's peaking can be linked to electromagnetic effects of submarginal (stable) KBM modes. Furthermore, based on these results, the expected GENE–Tango speedup for the ITER standard scenario is larger than two orders of magnitude compared to a single gyrokinetic simulation up to the transport timescale, possibly making first-principles ITER simulations feasible on current computing resources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An efficient high-order numerical solver for diffusion equations with strong anisotropy

In this paper, we present an interior penalty discontinuous Galerkin finite element scheme for solving diffusion problems with strong anisotropy arising in magnetized plasmas for fusion applications. Additionally, we demonstrate the accuracy produced by the high-order scheme and develop an efficient preconditioning technique to solve the corresponding linear system, which is robust to the mesh size and anisotropy of the problem. Several numerical tests are provided to validate the accuracy and efficiency of the proposed algorithm.

97 MATHEMATICS AND COMPUTING↗

A memory-distributed quasi-Newton solver for nonlinear programming problems with a small number of general constraints

We approach the problem of parallelizing state-of-the-art nonlinear programming optimization algorithms.Specifically, we focus on parallelizing quasi-Newton interior-point methods that use limited-memory secant Hessian approximations. Such interior-point methods are known to have better convergence properties and to be more effective on large-scale problems than gradient-based and derivative-free optimization algorithms. We target nonlinear and potentially nonconvex optimization problems with an arbitrary number of bound constraints and a small number of general equality and inequality constraints on the optimization variables. These problems occur for example in the form of optimal control, optimal design, and inverse problems governed by ordinary or partial differential equations, whenever they are expressed in a “reduced-space” optimization approach. We introduce and analyze the time and space complexity of a decomposition method for solving the quasi-Newton linear systems that leverages the fact that the quasi-Newton Hessian matrix has a small number of dense blocks that border a low-rank update of a diagonal matrix. This enables an efficient parallelization on memory-distributed computers of the iterations of the optimization algorithm, a state-of-the-art filter line-search interior-point algorithm by Wächter et. al. We illustrate the efficiency of the proposed method by solving structural topology optimization problems on up to 4608 cores on a parallel machine.

97 MATHEMATICS AND COMPUTING↗

Newton versus the machine: solving the chaotic three-body problem using deep neural networks

ABSTRACT Since its formulation by Sir Isaac Newton, the problem of solving the equations of motion for three bodies under their own gravitational force has remained practically unsolved. Currently, the solution for a given initialization can only be found by performing laborious iterative calculations that have unpredictable and potentially infinite computational cost, due to the system’s chaotic nature. We show that an ensemble of converged solutions for the planar chaotic three-body problem obtained using an arbitrarily precise numerical integrator can be used to train a deep artificial neural network (ANN) that, over a bounded time interval, provides accurate solutions at a fixed computational cost and up to 100 million times faster than the numerical integrator. In addition, we demonstrate the importance of training an ANN using converged solutions from an arbitrary precise integrator, relative to solutions computed by a conventional fixed precision integrator, which can introduce errors in the training data, due to numerical round-off and time discretization, that are learned by the ANN. Our results provide evidence that, for computationally challenging regions of phase space, a trained ANN can replace existing numerical solvers, enabling fast and scalable simulations of many-body systems to shed light on outstanding phenomena such as the formation of black hole binary systems or the origin of the core collapse in dense star clusters.

Breen, Philip G.↗

Neural network acceleration of large-scale structure theory calculations

Here, we make use of neural networks to accelerate the calculation of power spectra required for the analysis of galaxy clustering and weak gravitational lensing data. For modern perturbation theory codes, evaluation time for a single cosmology and redshift can take on the order of two seconds. In combination with the comparable time required to compute linear predictions using a Boltzmann solver, these calculations are the bottleneck for many contemporary large-scale structure analyses. Here, we construct neural network-based surrogate models for Lagrangian perturbation theory (LPT) predictions of matter power spectra, real and redshift space galaxy power spectra, and galaxy-matter cross power spectra that attain ~ 0.1% (at one sigma) accuracy over a broad range of scales in a ωCDM parameter space. The neural network surrogates can be evaluated in approximately one millisecond, a factor of 1000 times faster than the full Boltzmann code and LPT computations. In a simulated full-shape redshift space galaxy power spectrum analysis, we demonstrate that the posteriors obtained using our surrogates are accurate compared to those obtained using the full LPT model. We make our surrogate models public at https://github.com/sfschen/EmulateLSS, so that others may take advantage of the speed gains they provide to enable rapid iteration on analysis settings, something that is essential in complex contemporary large-scale structure analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

Cross Section Generation Capability in Griffin

The Griffin code is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. The code includes a variety of steady-state solvers for fixed-source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. The code reads multigroup cross sections in the ISOXML format generated from external deterministic or Monte Carlo cross section generation codes. The implementation of the cross section generation capability in Griffin was initiated last year by plugging in the cross section application programming interface (CSAPI) and reviewing the methodologies for treating particulate fuels. The focus this year was on improving the CSAPI integration and implementing advanced self-shielding methods for applications to advanced reactor problems with TRISO fuels. First, the process for cross section library generation was updated to accurately and rigorously produce isotopic cross section data. Second, the equivalent Dancoff factor cell method performing slowing down calculations on the fly for the resonance treatment was implemented in CSAPI to improve the accuracy of effective multigroup cross sections in the resonance energy range. Third, the iterative local spatial self-shielding method was implemented under the calculation framework of the equivalent Dancoff factor cell method to accurately deal with the double heterogeneity effect of particulate fuel. The updated CSAPI with the advanced self-shielding methods, together with the cross section libraries generated based on the improved process, were tested for pin-cell, unit-cell, and fuel assembly problems with various resonance self-shielding conditions based on very high temperature reactor, high temperature test reactor, and Empire benchmark cores, indicating that the updated CSAPI in Griffin is able to produce multigroup cross sections accurately and efficiently. We also showed that the methodology worked well for pebble bed fuel from HTR-10, but the capability still needs to be fully integrated into CSAPI. In the future, further benchmark tests will be performed for various thermal reactor core problems, including particulate fuel-based pebble bed reactors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Application of ECH to the study of transport in ITER baseline scenario-like discharges in DIII-D

Recent DIII-D experiments in the ITER Baseline Scenario (IBS) have shown strong increases in fluctuations and correlated reduction of confinement associated with entering the electron-heating-dominated regime with strong electron cyclotron heating (ECH). The addition of 3.2 MW of 110 GHz EC power deposited at ρ~0.42 to IBS discharges with ~3 MW of neutral beam injection causes large increases in low-k and medium-k turbulent density fluctuations observed with Doppler backscatter (DBS), beam emission spectroscopy (BES) and phase-contrast imaging (PCI) diagnostics, correlated with decreases in the energy, particle, and momentum confinement times. Power balance calculations show the electron heat diffusivity χ e increases significantly in the mid-radius region 0.4<ρ<0.8, which is roughly the same region where the DBS and BES diagnostics show the increases in turbulent density fluctuations. Confinement of angular momentum is also reduced during ECH. Studies with the TGYRO transport solver show that the model of turbulent transport embodied in the TGLF code quantitatively reproduces the measured transport in both the neutral beam (NB)-only and in the NB plus EC cases. A simple model of the decrease in toroidal rotation with EC power is set forth, which exhibits a bifurcation in the rotational state of the discharge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

USM3D-ME Contributions to the 5th AIAA High Lift Prediction Workshop

This paper presents the results of Reynolds-averaged Navier-Stokes (RANS) simulations conducted by NASA’s flow solver, mixed-element USM3D (USM3D-ME), for the 5th AIAA High-Lift Prediction Workshop. As part of the Fixed-Grid RANS Technology Focus Group (TFG), these simulations were performed to assess the accuracy and efficiency of the USM3D-ME solutions in predicting high-lift flows. The High-Lift Common Research Model (CRM-HL) served as the primary geometry. Several CRM-HL configurations were used for three case studies: a verification study (Case 1), a configuration buildup study (Case 2), and a Reynolds-number variation study (Case 3). Overall, USM3D-ME RANS results aligned with the solutions selected by the Fixed-Grid RANS TFG and available wind tunnel data Simulations for Cases 1 and Configuration 2.1 achieved machine-zero residual convergence, with aerodynamic coefficients converging to steady-state values. However, Configurations 2.2-2.4 and Case 3 encountered iterative- and grid-convergence challenges, particularly at high angles of attack. Compared with the experimental data available for Configurations 2.2-2.4, close agreement was demonstrated at low angles of attack. However, for angles of attack approaching the maximum lift conditions, the predicted lift coefficient and pitching moment deviated from experimental values. The drag-coefficient predictions were in a relatively good agreement, however, slight overpredictions were observed at the highest angle of attack corresponding to the maximum-lift condition. Although iterative convergence for Configurations 2.2-2.4 at high angles of attack remains a persistent challenge, averaging aerodynamic coefficients over the last 5000 iterations yielded satisfactory agreement with the available wind tunnel experimental data. During the workshop, the lack of iterative convergence was attributed to the vortex structures emanating from the slat brackets. To investigate this issue further, post-workshop simulations were conducted on Configuration 2.2. In one study, RANS simulations were performed on a simplified geometry with the slat brackets removed. The second study focused on performing URANS simulations on the original Configuration 2.2 geometry. Preliminary results from both studies are presented and compared with wind tunnel data for Configuration 2.2. Consistent with the findings of other participants in the Fixed-Grid RANS TFG, this study emphasizes the necessity for further exploration and advancement in RANS technology for predicting high-lift flows.

CFD↗

USM3D-ME Contributions to the 5th AIAA High Lift Prediction Workshop

This paper presents the results of Reynolds-averaged Navier-Stokes (RANS) simulations conducted by the NASA flow solver, mixed-element USM3D (USM3D-ME), for the 5th AIAA High-Lift Prediction Workshop. As part of the Fixed-Grid RANS Technology Focus Group (TFG), these simulations were performed to assess the accuracy and efficiency of the USM3D-ME solutions in predicting high-lift flows. The High-Lift Common Research Model (CRM-HL) served as the primary geometry. Several CRM-HL configurations were used for three case studies: a verification study (Case 1), a configuration buildup study (Case 2), and a Reynolds-number variation study (Case 3). Overall, USM3D-ME RANS results aligned with the solutions selected by the Fixed-Grid RANS TFG and available wind tunnel data. Simulations for Case 1 and Configuration 2.1 achieved machine-zero residual convergence, with aerodynamic coefficients converging to steady-state values. However, Configurations 2.2-2.4 and Case 3 encountered iterative- and grid-convergence challenges, particularly at high angles of attack. Compared with the experimental data available for Configurations 2.2-2.4, close agreement was demonstrated at low angles of attack. However, for angles of attack approaching the maximum lift conditions, the predicted lift coefficient and pitching moment deviated from experimental values. The drag-coefficient predictions were in relatively good agreement, however, slight overpredictions were observed at the highest angle of attack corresponding to the maximum-lift condition. Although iterative convergence for Configurations 2.2-2.4 at high angles of attack remains a persistent challenge, averaging aerodynamic coefficients over the last 5000 iterations yielded satisfactory agreement with the available wind tunnel experimental data. During the workshop, the lack of iterative convergence was attributed to the vortex structures emanating from the slat brackets. To investigate this issue further, post-workshop simulations were conducted on Configuration 2.2. In one study, RANS simulations were performed on a simplified geometry with the slat brackets removed. The second study focused on performing unsteady RANS (URANS) simulations on the original Configuration 2.2 geometry. Preliminary results from both studies are presented and compared with wind tunnel data for Configuration 2.2. Consistent with the findings of other participants in the Fixed-Grid RANS TFG, this study emphasizes the necessity for further exploration and advancement in RANS technology for predicting high-lift flows.

Aerodynamics↗