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At least 721 records · Page 40

Recent numerical and algorithmic advances within the volume tracking framework for modeling interfacial flows

A review of recent advances made in numerical methods and algorithms within the volume tracking framework is presented. The volume tracking method, also known as the volume-of-fluid method has become an established numerical approach to model and simulate interfacial flows. Its advantage is its strict mass conservation. However, because the interface is not explicitly tracked but captured via the material volume fraction on a fixed mesh, accurate estimation of the interface position, its geometric properties and modeling of interfacial physics in the volume tracking framework remain difficult. Several improvements have been made over the last decade to address these challenges. In this study, the multimaterial interface reconstruction method via power diagram, curvature estimation via heights and mean values and the balanced-force algorithm for surface tension are highlighted.

97 MATHEMATICS AND COMPUTING↗

Variational Integration for Ideal Magnetohydrodynamics and Formation of Current Singularities

Coronal heating has been a long-standing conundrum in solar physics. Parker's conjecture that spontaneous current singularities lead to nanoflares that heat the corona has been controversial. In ideal magnetohydrodynamics (MHD), can genuine current singularities emerge from a smooth 3D line-tied magnetic field? To numerically resolve this issue, the schemes employed must preserve magnetic topology exactly to avoid artificial reconnection in the presence of (nearly) singular current densities. Structure-preserving numerical methods are favorable for mitigating numerical dissipation, and variational integration is a powerful machinery for deriving them. However, successful applications of variational integration to ideal MHD have been scarce. In this thesis, we develop variational integrators for ideal MHD in Lagrangian labeling by discretizing Newcomb's Lagrangian on a moving mesh using discretized exterior calculus. With the built-in frozen-in equation, the schemes are free of artificial reconnection, hence optimal for studying current singularity formation. Using this method, we first study a fundamental prototype problem in 2D, the Hahm-Kulsrud-Taylor (HKT) problem. It considers the effect of boundary perturbations on a 2D plasma magnetized by a sheared field, and its linear solution is singular. We find that with increasing resolution, the nonlinear solution converges to one with a current singularity. The same signature of current singularity is also identified in other 2D cases with more complex magnetic topologies, such as the coalescence instability of magnetic islands. We then extend the HKT problem to 3D line-tied geometry, which models the solar corona by anchoring the field lines in the boundaries. The effect of such geometry is crucial in the controversy over Parker's conjecture. The linear solution, which is singular in 2D, is found to be smooth. However, with finite amplitude, it can become pathological above a critical system length. The nonlinear solution turns out smooth for short systems. Nonetheless, the scaling of peak current density vs. system length suggests that the nonlinear solution may become singular at a finite length. With the results in hand, we cannot confirm or rule out this possibility conclusively, since we cannot obtain solutions with system lengths near the extrapolated critical value.

solar corona↗

A novel peridynamics-based approach to predict pharmaceutical tablet robustness

The pharmaceutical drug product development process can be greatly accelerated through the use of modeling and simulation techniques to predict the manufacturability and performance of a given formulation. The anticipation and possible mitigation of tablet damage due to manufacturing stresses represents a specific area of interest in the pharmaceutical industry for predicting formulation and tableting performance. While the finite element method (FEM) has been extensively used for predicting the mechanical behavior of powder material in the compaction processes, a shortcoming of the approach is the inherent difficulty to predict discontinuities (e.g., damage or cracking) within a tablet as FEM is a continuum-based approach. In this work, we propose a novel method utilizing peridynamics (PD), a numerical method that can capture discontinuities such as tablet fracture, to predict the evolution of damage and breakage in pharmaceutical tablets. The approach links (1) the finite element method – to elucidate the behavior of powders during die compaction – with (2) the peridynamics modeling technique – to model the discontinuous nature of damage and predict tablet breakage during the critical stages of unloading and ejection from the compression die. This short communication presents a proof of concept including a workflow to calibrate the linked FEM-PD simulation models. Further, it demonstrates promising results from a preliminary experimental validation of the approach. Following further development, this approach could be used to guide the optimization of compression processes through targeted changes to formulation material properties, compression process conditions, and/or tooling geometries to deliver improved process efficiency and tablet robustness.

36 MATERIALS SCIENCE↗

Direct simulation Monte Carlo modeling of relaxation processes in polyatomic gases

Relaxation processes of polyatomic molecules are modeled and implemented in an in-house Direct Simulation Monte Carlo code in order to enable the simulation of atmospheric entry maneuvers at Mars and Saturn’s Titan. The description of rotational and vibrational relaxation processes is derived from basic quantum-mechanics using a rigid rotator and a simple harmonic oscillator, respectively. Strategies regarding the vibrational relaxation process are investigated, where good agreement for the relaxation time according to the Landau-Teller expression is found for both methods, the established prohibiting double relaxation method and the new proposed multi-mode relaxation. Differences and applications areas of these two methods are discussed. Consequently, two numerical methods used for sampling of energy values from multi-dimensional distribution functions are compared. The proposed random-walk Metropolis algorithm enables the efficient treatment of multiple vibrational modes within a time step with reasonable computational effort. The implemented model is verified and validated by means of simple reservoir simulations and the comparison to experimental measurements of a hypersonic, carbon-dioxide flow around a flat-faced cylinder.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Numerical Analysis of the Transient Response of an Ablation System Including Effects of Thermal Nonequilibrium, Mass Transfer and Chemical Kinetics

The differential equations governing the transient response of a one-dimensional ablative thermal protection system undergoing stagnation ablation are derived. These equations are for thermal nonequilibrium effects between the pyrolysis gases and the char layer and kinetically controlled chemical reactions and mass transfer between the pyrolysis gases and the char layer. The boundary conditions are written for the particular case of stagnation heating with surface removal by oxidation or sublimation and pyrolysis of the uncharred layer occurring in a plane. The governing equations and boundary conditions are solved numerically using the modified implicit method (Crank-Nicolson method). Numerical results are compared with exact solutions for a number of simplified cases. The comparison is favorable in each instance.

Clark, R. K.↗

Two-dimensional compressible convection extending over multiple scale heights

The theoretical description of the dynamics of a stellar convection zone is considered, taking into account one of the most basic issues by studying compressible convection extending over multiple scale heights. A revised version of a code reported by Graham (1975) is employed. Two-dimensional simulations show that nonlinear compressible convection possesses cellular structures with strong localized downward-directed plumes and broader upflows. The horizontal flows which close the circulation within the cell satisfy an approximate Bernoulli integral along a considerable portion of the horizontal trajectory. Attention is given to details regarding the numerical methods, the properties of the numerical solutions, the overall effects of compressibility on nonlinear convection, and a comparison with anelastic modal solutions.

Hurlburt, N. E.↗

Transient natural convection heat and mass transfer in a rectangular enclosure - A numerical analysis

A numerical analysis of transient heat and solute transport across a rectangular cavity with combined horizontal temperature and concentration gradients is performed by a numerical method based on the SIMPLE. Numerical results show that the average Nusselt and Sherwood numbers both decrease markedly when the solutal and thermal buoyancy forces act in the opposite directions. When the solutal and thermal buoyancy forces act in the same directions, however, the average Sherwood number increases significantly and yet the average Nusselt number decreases slightly.

Han, Samuel S.↗

Dynamic force response of spherical hydrostatic journal bearing for cryogenic applications

Hydrostatic Journal Bearings (HJB's) are reliable and resilient fluid film rotor support elements ideal to replace roller bearings in cryogenic turbomachinery. HJB' will be used for primary space-power applications due to their long lifetime, low friction and wear, large load capacity, large direct stiffness, and damping force coefficients. An analysis for the performance characteristics of turbulent flow, orifice compensated, spherical hydrostatic journal bearings (HJB's) is presented. Spherical bearings allow tolerance for shaft misalignment without force performance degradation and have also the ability to support axial loads. The spherical HJB combines these advantages to provide a bearing design which could be used efficiently on high performance turbomachinery. The motion of a barotropic liquid on the thin film bearing lands is described by bulk-flow mass and momentum equations. These equations are solved numerically using an efficient CFD method. Numerical predictions of load capacity and force coefficients for a 6 recess, spherical HJB in a LO2 environment are presented. Fluid film axial forces and force coefficients of a magnitude about 20% of the radial load capacity are predicted for the case analyzed. Fluid inertia effects, advective and centrifugal, are found to affect greatly the static and dynamic force performance of the bearing studied.

Sanandres, Luis↗

A geometric deformable model for echocardiographic image segmentation

Gradient vector flow (GVF), an elegant external force for parametric deformable models, can capture object boundaries from both sides. A new geometric deformable model is proposed that combines GVF and the geodesic active contour model. The level set method is used as the numerical method of this model. The model is applied for echocardiographic image segmentation.

NASA Program Biomedical Research and Countermeasur↗

UCLA parallel PIC framework

The UCLA Parallel PIC Framework (UPIC) has been developed to provide trusted components for the rapid construction of new, parallel Particle-in-Cell (PIC) codes. The Framework uses object-based ideas in Fortran95, and is designed to provide support for various kinds of PIC codes on various kinds of hardware. The focus is on student programmers. The Framework supports multiple numerical methods, different physics approximations, different numerical optimizations and implementations for different hardware. It is designed with "defensive" programming in mind, meaning that it contains many error checks and debugging helps. Above all, it is designed to hide the complexity of parallel processing. It is currently being used in a number of new Parallel PIC codes.

Norton, Charles D.↗

On Xenon Fission Product Poisoning

We all appreciate the special role Xenon-135 plays in reactor transients. Unless there is sufficient reactivity override, on shutdown a conventional reactor cannot immediately restart because of the buildup of strongly absorbing Xenon from Iodine decay and the absence of neutron flux to continue its elimination. We are also aware of how the flux imbalance in a large reactor core gives rise to Xenon induced power precession around the core in unpredictable ways. In addition, with regard to computational methods, we lack readily accessible numerical algorithms enabling reliable characterization of Xenon oscillations with simple models to explain this fundamentally important phenomenon. Nowhere is this more apparent than in the classroom. In this presentation, we first consider a new 12-element comprehensive decay to model Xenon and its corresponding numerical implementation and verification to establish a predictive model of Xenon buildup in a constant flux. We then follow with a reduced self-consistent flux model in an infinite reactor- a model not found in textbooks. This presentation should appeal to those interested in developing high order numerical methods for reactor transients.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Investigation of Xenon Oscillations via Point Kinetics

We all appreciate the special role Xenon-135 plays in reactor transients. Unless there is sufficient reactivity override, on shutdown a conventional reactor cannot immediately restart because of the buildup of strongly absorbing Xenon from Iodine decay and the absence of neutron flux to continue its elimination. We are also aware of how the flux imbalance in a large reactor core gives rise to Xenon induced power precession around the core in unpredictable ways. In addition, with regard to computational methods, we lack readily accessible numerical algorithms enabling reliable characterization of Xenon oscillations with simple models to explain this fundamentally important phenomenon. Nowhere is this more apparent than in the classroom. In this presentation, we first consider a new 12-element comprehensive decay model to Xenon and its corresponding numerical implementation and verification to establish a predictive model of Xenon buildup in a constant flux. We then follow with a reduced self-consistent flux model in an infinite reactor- a model not found in textbooks. This presentation should appeal to those interested in developing high order numerical methods for reactor transients.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Direct Discontinuous Galerkin methods for the reacting multi-component flow equations

The Direct Discontinuous Galerkin (DDG (Liu and Yan, 2008)) method and a counterpart with Interface Correction (DDGIC (Danis and Yan, 2022)) are extended to compute diffusion terms that arise when solving the compressible multi-component flow equations in thermochemical nonequilibrium. Thermodynamic properties, transport properties, chemical reaction rates, and energy exchange terms are computed using Mutation++ (Scoggins et al., 2020). The DG method is applied on unstructured grids, where the accuracy and convergence rates can be sensitive to the numerical method chosen for parabolic terms. A method for determining the homogeneity tensor of the flow equations required for DDGIC is shown. The convergence properties of the DDG methods are studied and compared to the Interior Penalty (IP) method. A number of numerical experiments are conducted to assess the accuracy and performance of the method. The numerical results and convergence studies indicate that DDG and DDGIC provide accurate solutions and perform well for general flows in thermochemical nonequilibrium.

Diffusion↗

Synchronous and Concurrent Multidomain Computing Method for Cloud Computing Platforms

We present a numerical method for synchronous and concurrent solution of transient elastodynamics problem where the computational domain is divided into subdomains that may reside on separate computational platforms. Here, this work employs the variational multiscale discontinuous Galerkin (VMDG) method to develop interdomain transmission conditions for transient problems. The fine-scale modeling concept leads to variationally consistent coupling terms at the common interfaces. The method admits a large class of time discretization schemes, and decoupling of the solution for each subdomain is achieved by selecting any explicit algorithm. Numerical tests with a manufactured solution problem show optimal convergence rates. The energy history in a free vibration problem is in agreement with that of the solution from a monolithic computational domain.

97 MATHEMATICS AND COMPUTING↗

A study of multiple-shaker modal survey testing

The principal objective was to examine and to assess the practical value of a method of multiple-shaker sinusoidal modal vibration testing known as Asher's method. Numerical studies which simulate the application of Asher's method and a unique experimental implementation of the method were completed. Another objective of the research was to develop and to demonstrate with numerical simulation a quantitative method for determining from transfer function data the number of dominant modes of vibration in sinusoidal structural response.

Hallauer, W. L., Jr.↗

SIAM Conference on Parallel Processing for Scientific Computing, 4th, Chicago, IL, Dec. 11-13, 1989, Proceedings

Attention is given to such topics as an evaluation of block algorithm variants in LAPACK and presents a large-grain parallel sparse system solver, a multiprocessor method for the solution of the generalized Eigenvalue problem on an interval, and a parallel QR algorithm for iterative subspace methods on the CM2. A discussion of numerical methods includes the topics of asynchronous numerical solutions of PDEs on parallel computers, parallel homotopy curve tracking on a hypercube, and solving Navier-Stokes equations on the Cedar Multi-Cluster system. A section on differential equations includes a discussion of a six-color procedure for the parallel solution of elliptic systems using the finite quadtree structure, data parallel algorithms for the finite element method, and domain decomposition methods in aerodynamics. Topics dealing with massively parallel computing include hypercube vs. 2-dimensional meshes and massively parallel computation of conservation laws. Performance and tools are also discussed.

Dongarra, Jack↗

Application of a fractional-step method to incompressible Navier-Stokes equation

A numerical method for computing three dimensional, time dependent incompressible flows is presented. The method is based on a fractional step, or time-splitting, scheme in conjunction with the approximate-factorization technique. The use of velocity boundary conditions for the intermediate velocity field leads to inconsistent numerical solutions. Appropriate boundary conditions for the intermediate velocity field are derived and tested. Numerical solutions for flow inside a driven cavity and over a backward-facing step are presented and compared with experimenal data and other numerical results.

Kim, J.↗

Application of a fractional-step method to incompressible Navier-Stokes equations

A numerical method for computing three dimensional, time dependent incompressible flows is presented. The method is based on a fractional step, or time-splitting, scheme in conjunction with the approximate-factorization technique. The use of velocity boundary conditions for the intermediate velocity field leads to inconsistent numerical solutions. Appropriate boundary conditions for the intermediate velocity field are derived and tested. Numerical solutions for flow inside a driven cavity and over a backward-facing step are presented and compared with experimental data and other numerical results.

Kim, J.↗