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At least 1,369 records · Page 76

Finite element algorithms for compressible flow computation on a supercomputer

Methods of applying computational fluid dynamics techniques to engineering problems are discussed. The linking factors between theoretical and applied research are the shape and weight functions which produce the Galerkin finite element schemes. The flow is unsteady, viscous, heat conducting and compressible, and steady-state flows are the asymptotic limit of unsteady flows. All flows are described by the time-averaged Navier-Stokes equations (NSE) with mass and energy conservation. Local curvilinear intrinsic coordinates are applied to discretize the NSE in arbitrary geometric domains. A modified weighted residuals approach defines the discrete analogs of the physical systems modeled and a general interpolants method is used to derive families of numerical models, both implicit and explicit, finite difference and finite elemnt, from a single point of departure. Time-dependent element approximations are achieved with a progressive assembly of generalized elements method. Hyperbolic steady-state Euler algorithms and quasi-parabolic are spatial marching algorithms for solving the discretized equations. Application of the techniques is illustrated through calculation of the compressible flow around a hypersonic flight vehicle at 100,000 ft at zero angle of attack at speeds of Mach 4-10.

Spradley, L. W.↗

Extrapolation methods for dynamic partial differential equations

Several extrapolation procedures are presented for increasing the order of accuracy in time for evolutionary partial differential equations. These formulas are based on finite difference schemes in both the spatial and temporal directions. On practical grounds the methods are restricted to schemes that are fourth order in time and either second, fourth or sixth order in space. For hyperbolic problems the second order in space methods are not useful while the fourth order methods offer no advantage over the Kreiss-Oliger method unless very fine meshes are used. Advantages are first achieved using sixth order methods in space coupled with fourth order accuracy in time. Computational results are presented confirming the analytic discussions.

Turkel, E.↗

Modeling of High-Temperature Corrosion of Zirconium Alloys Using the eXtended Finite Element Method (X-FEM)

Oxidation modeling in modern nuclear fuel performance codes is currently limited by the lack of coupling with mechanics, thus preventing proper description of how high-temperature oxidation impacts mechanical properties. This is mostly due to the fact that the finite difference formalism adopted in corrosion models is incompatible with the direct coupling with mechanics in the finite element modeling employed in modern nuclear fuel performance codes. In this study, a physically based zirconium alloy corrosion model called the Coupled-Current Charge Compensation (C4) model, which was initially developed for operating temperature conditions, has been updated to include high-temperature corrosion in order to provide additional critical information (e.g., oxygen concentration profile) under loss-of-coolant accident (LOCA) conditions—information lacking in existing empirical models. The C4 model was implemented in the MOOSE finite-element framework developed at Idaho National Laboratory, enabling it to be used in the BISON nuclear fuel performance code based on the MOOSE framework. To precisely track the different interfaces at a relatively low computational cost, the eXtended Finite Element Method (X-FEM) was applied in MOOSE. The model’s results were compared to those of existing empirical models as well as metallographic analysis of high-temperature oxidized Zircaloy-4 coupons. Oxygen diffusivities in the a and ß phases resulting from this comparison closely agree with those found in the literature. The C4 model implemented with X-FEM in MOOSE now has the capability to accurately predict oxide, oxygen-stabilized a, and prior ß phase layer growth kinetics under isothermal exposure at high temperature (1000–1500°C). Furthermore, in contrast with the empirical models, the C4 model accounts for the finite thickness of the fuel cladding. It can predict the oxygen concentration profile evolution through the whole cladding, enabling evaluation of the remaining ductile thickness—a crucial variable for modeling the mechanical behavior of the fuel cladding under LOCA. Furthermore, this implementation allows direct coupling with mechanics, at a low computing cost, using finite-element-based nuclear fuel performance codes such as BISON.

36 MATERIALS SCIENCE↗

Efficient three-dimensional Laplace-Fourier domain acoustic-wave simulations using discontinuous finite-difference meshes with embedded boundaries

© 2018 SEG. We develop embedded boundary and discontinuous mesh methods to handle arbirarily shaped topography and accurately simulate acoustic seismic wave propagation in Laplace-Fourier domain. The purpose of the embedded boundary method is to enhance accurate wave simulation near the surface and the discontinuous mesh method is used to achieve considerable savings in both computation time and memory savings relative to fixed mesh schemes.

AlSalem, Hussain↗

Implications of truncating semi-infinite physical domains on the accuracy of the solutions to the N-S equations

Numerical techniques for solving the Navier-Stokes equations of laminar incompressible flow over a forward-facing step on a semiinfinite flat plate are evaluated analytically and by means of sample computations. A primitive-variable method with pseudocompressibility and full mapping of the semiinfinite domain is compared with a vorticity/stream-function method with a truncated domain, applying a flux-corrected explicit finite-difference procedure to solve the discretized transport equations. The results are presented in graphs and compared with published experimental data. The solutions obtained with the truncated-domain methods are shown to be inaccurate, even in cases when they are smooth.

Dekruif, Jeffery S.↗

Effect of laser intensity and exposure time on photothermal therapy with nanoparticles heated by a 793-nm diode laser and tissue optical clearing

Laser-induced thermotherapy is a promising method for cancer treatment, the outcome of which is affected by the exposure time. An inappropriate exposure time and laser intensity cause incomplete tumour destruction, tumour regrowth, and metastasis. Also possible is irreversible damage, i.e. death of healthy cells, and so numerical models are necessary to provide an optimised laser intensity and exposure time for different cancerous tumours. In this study, a model based on finite element method (FEM) is used for solving the bio-heat transfer equation and the Arrhenius equation describing tissue damage. The cancerous tumour is considered as a perfect cylinder with a diameter of 20 mm and a thickness of 2, 3, 4, and 5 mm, filled up by highly absorbing nanoparticles and surrounded by healthy cylindrical tissue with a diameter of 40 mm and a length of 10 mm, which ahs a low scattering coefficient due to optical clearing. The results show that 243 s is a safe and appropriate exposure time when a diode laser with a wavelength of 793 nm and intensity of 0.75 W cm{sup −2} together with gold nanorods of concentration 0.0001 % is used for the treatment of a 3-mm-thick tumour. Then, the results are developed and extensive numerical simulations are used to reveal mathematical relationships between two critical parameters, input power and optimised exposure time, for a series of different tumour thicknesses. Treatment protocols are presented.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A brief description of the Jameson-Caughey NYU transonic swept-wing computer program: FLO 22

A computer program for analyzing inviscid, isentropic, transonic flow past 3-D swept configurations is presented. Some basic aspects of the program are: (1) the free-stream Mach number is restricted only by the isentropic assumption; (2) weak shock waves are automatically located wherever they occur in the flow; (3) the finite-difference form of the full equation for the velocity potential is solved by the method of relaxation, after the flow exterior to the airfoil is mapped to the upper half plane; (4) the mapping procedure allows exact satisfaction of the boundary conditions and use of supersonic free stream velocities; (5) the finite difference operator is locally rotated in supersonic flow regions so as to properly account for the domain of dependence; and (6) the relaxation algorithm was stabilized using criteria from a time-like analogy.

Jameson, A.↗

Viscous compressible flow about blunt bodies using a numerically generated orthogonal coordinate system

A numerical solution to the Navier-Stokes equations was obtained for blunt axisymmetric entry bodies of arbitrary shape in supersonic flow. These equations are solved on a finite difference mesh obtained from a simple numerical technique which generates orthogonal coordinates between arbitrary boundaries. The governing equations are solved in time dependent form using Stetter's improved stability three step predictor corrector method. For the present application, the metric coefficients were obtained numerically using fourth order accurate, finite difference relations and proved to be totally reliable for the highly stretched mesh used to resolve the thin viscous boundary layer. Solutions are obtained for a range of blunt body nose shapes including concavities.

Graves, R. A., Jr.↗

Stress analysis study in cooled radial inflow turbine

With increased turbine inlet temperatures, numerical methods of thermal and stress analysis are becoming more valuable in the design of air-cooled turbines. This paper presents a study of the stresses associated with different cooling patterns in a radial inflow turbine rotor. The finite element method is used in the stress calculations taking into consideration centrifugal, thermal and aerodynamic loading. The effects of temperature distribution and the presence of internal cooling passages are discussed.

Hamed, A.↗

Radiation boundary condition and anisotropy correction for finite difference solutions of the Helmholtz equation

In this paper finite-difference solutions of the Helmholtz equation in an open domain are considered. By using a second-order central difference scheme and the Bayliss-Turkel radiation boundary condition, reasonably accurate solutions can be obtained when the number of grid points per acoustic wavelength used is large. However, when a smaller number of grid points per wavelength is used excessive reflections occur which tend to overwhelm the computed solutions. Excessive reflections are due to the incompability between the governing finite difference equation and the Bayliss-Turkel radiation boundary condition. The Bayliss-Turkel radiation boundary condition was developed from the asymptotic solution of the partial differential equation. To obtain compatibility, the radiation boundary condition should be constructed from the asymptotic solution of the finite difference equation instead. Examples are provided using the improved radiation boundary condition based on the asymptotic solution of the governing finite difference equation. The computed results are free of reflections even when only five grid points per wavelength are used. The improved radiation boundary condition has also been tested for problems with complex acoustic sources and sources embedded in a uniform mean flow. The present method of developing a radiation boundary condition is also applicable to higher order finite difference schemes. In all these cases no reflected waves could be detected. The use of finite difference approximation inevita bly introduces anisotropy into the governing field equation. The effect of anisotropy is to distort the directional distribution of the amplitude and phase of the computed solution. It can be quite large when the number of grid points per wavelength used in the computation is small. A way to correct this effect is proposed. The correction factor developed from the asymptotic solutions is source independent and, hence, can be determined once and for all. The effectiveness of the correction factor in providing improvements to the computed solution is demonstrated in this paper.

Tam, Christopher K. W.↗

Application of implicit numerical techniques to the solution of the three-dimensional diffusion equation

Implicit techniques for calculating three-dimensional, time-dependent heat diffusion in a cube are tested with emphasis on storage efficiency, accuracy, and speed of calculation. For this purpose, a tensor product technique with both Chebyshev collocation and finite differences and a generalized conjugate gradient technique with finite differences are used in conjunction with Crank-Nicolson discretization. An Euler explicit finite difference calculation is performed for use as a benchmark. The implicit techniques are found to be competitive with the Euler explicit method in terms of storage efficiency and speed of calculation and offer advantages both in accuracy and stability. Mesh stretching in the finite difference calculations is shown to markedly improve the accuracy of the solution.

Peltier, Leonard Joel↗

A mapped finite difference study of noise propagation in nonuniform ducts with mean flow

The primary objective of this work is to study noise propagation in acoustically lined variable area ducts with mean fluid flow. The method of study is numerical in nature and involves a body-fitted grid mapping procedure in conjunction with a factored-implicit finite difference technique. The mean fluid flow model used is two-dimensional, inviscid, irrotational, incompressible, and nonheat conducting. Fully-coupled solutions of the linearized gasdynamic equations are obtained for both positive and negative Mach numbers as well as for hard and soft wall conditions. The factored-implicit finite difference technique used did give rise to short wavelength perturbations, but these were dampened by the introduction of higher order artificial dissipation terms into the scheme. Results compared favorably with available numerical and experimental data.

Raad, Peter E.↗

Ab initio molecular dynamics on quantum computers

Ab initio molecular dynamics (AIMD) is a valuable technique for studying molecules and materials at finite temperatures where the nuclei evolve on potential energy surfaces obtained from accurate electronic structure calculations. In this work, we present an approach to running AIMD simulations on noisy intermediate-scale quantum (NISQ)-era quantum computers. The electronic energies are calculated on a quantum computer using the variational quantum eigensolver (VQE) method. Algorithms for computation of analytical gradients entirely on a quantum computer require quantum fault-tolerant hardware, which is beyond NISQ-era. Therefore, we compute the energy gradients numerically using finite differences, the Hellmann-Feynman theorem, and a correlated sampling technique. This method only requires additional classical calculations of electron integrals for each degree of freedom without any additional computations on a quantum computer beyond the initial VQE run. As a proof of concept, AIMD simulations are demonstrated for the H-2 molecule on IBM quantum devices. In addition, we demonstrate the validity of the method for larger molecules using full configuration interaction wave functions. As quantum hardware and noise mitigation techniques continue to improve, the method can be utilized for studying larger molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A computational fluid dynamic technique valid at the centerline for non-axisymmetric problems in cylindrical coordinates

A technique is described for the numerical solution of non-axisymmetric flow problems posed in cylindrical coordinates when the z-axis is included in the flowfield. The highlight of the technique is the manner in which the singularities at the centerline are handled. Specifically, the governing flowfield equations at r = 0 are put in a special form by applying L'Hospital's Rule. The required radial derivatives are evaluated using a one-sided, second-order accurate, first-difference. This leads to a smooth, convergent calculation of the flowfield at the centerline. This appears to be the first generally applicable numerical method for avoiding coordinate system singularities in the context of a finite-difference scheme, and could have application to many nonaxisymmetric flows. The technique is illustrated by specific results for the time-dependent flowfield inside an internal combustion engine.

Griffin, M. D.↗

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↗

Extravehicular mobility unit thermal simulator

The analytical methods, thermal model, and user's instructions for the SIM bay extravehicular mobility unit (EMU) routine are presented. This digital computer program was developed for detailed thermal performance predictions of the crewman performing a command module extravehicular activity during transearth coast. It accounts for conductive, convective, and radiative heat transfer as well as fluid flow and associated flow control components. The program is a derivative of the Apollo lunar surface EMU digital simulator. It has the operational flexibility to accept card or magnetic tape for both the input data and program logic. Output can be tabular and/or plotted and the mission simulation can be stopped and restarted at the discretion of the user. The program was developed for the NASA-JSC Univac 1108 computer system and several of the capabilities represent utilization of unique features of that system. Analytical methods used in the computer routine are based on finite difference approximations to differential heat and mass balance equations which account for temperature or time dependent thermo-physical properties.

Hixon, C. W.↗

Temperature distribution study in a cooled radial inflow turbine rotor

A numerical study to determine the temperature distribution in the rotor of a radial inflow turbine is presented. The study is based on the use of the finite element method in the three dimensional heat conduction problem. Different cooling techniques with various coolant to primary mass flow ratios are investigated. The resulting temperature distribution in the rotor are presented for comparison.

Hamed, A.↗