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At least 199 records · Page 11

Recent computation of viscous effects in transonic flow

The paper describes some improvements to a method of solving the time-dependent Reynolds-averaged Navier-Stokes equations for two-dimensional compressible flows for describing the coupling between viscous and inviscid regions in transonic flows. Mesh patching is implemented at the sublayer-boundary layer interfaces and the boundary layer-inviscid flow interface. Mesh stretching is geometric and is small in regions of large gradients and large in regions of small gradients, thus preserving second-order accuracy. Mesh lines are arranged so as to accommodate MacCormack's rapid solver for hyperbolic systems and a wider class of turbulent transport models. Results of computations of transonic flows over lifting airfoils are compared with experimental data and other solutions.

Deiwert, G. S.↗

Space-Time Error Representation and Estimation in Navier-Stokes Calculations

The mathematical framework for a-posteriori error estimation of functionals elucidated by Eriksson et al. [7] and Becker and Rannacher [3] is revisited in a space-time context. Using these theories, a hierarchy of exact and approximate error representation formulas are presented for use in error estimation and mesh adaptivity. Numerical space-time results for simple model problems as well as compressible Navier-Stokes flow at Re = 300 over a 2D circular cylinder are then presented to demonstrate elements of the error representation theory for time-dependent problems.

Barth, Timothy J.↗

Lagrangian computation of inviscid compressible flows

A Lagrangian method is developed to solve the Euler equations of gas dynamics. The solution of the equations is obtained by a numerical computation with the well-known Flux-Corrected-Transport (FCT) numerical method. This procedure is modified so that the boundary treatment is accurate and relatively simple. Shock waves and other flow discontinuities are captured monotonically without any type of fitting procedures. The Lagrangian method is employed so that the problem of mesh generation is completely avoided. The method is applicable to all Mach numbers except the low subsonic range where compressibility effects are small. The method is applied to a one-dimensional Riemann problem (shock tube) and to a two-dimensional supersonic channel flow with reflecting shock waves.

Klopfer, G. H.↗

Computational Study of Variable Fuel-Air Ratio and Hydrogen Doping in a Rotating Detonation Engine

Rotating detonation engines (RDEs) hold great promise as a technology for powering aviation engines. The pressure gain that results from continuously traversing detonation waves enables high theoretical performance compared to deflagration-based combustion. However, the harsh operating conditions inside an RDE restrict the availability of suitable experimental diagnostics to study these systems in detail and the range of spatial and temporal scales render numerical simulations of these systems difficult. In this study, we have combined adaptive mesh refinement and a robust shock-capturing approach to study RDE systems computationally using the compressible, reactive solver PeleC. Multi-species transport along with compressible Navier-Stokes equations are solved in the model along with finite-rate chemistry. Complex geometries are represented using an embedded boundary method with second-order spatial accuracy and the system is evolved in time using a second-order Runge-Kutta method. We present studies of a methane-air RDE system that is doped with varying levels of hydrogen. Our analysis focusses on how fuel mixture and doping levels effect the detonation flame structure and the generation of multiple wave modes.

ADVANCED PROPULSION SYSTEMS↗

First-principles high-pressure unreacted equation of state and heat of formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105)

We report dispersion-corrected density functional theoretical calculations of the unreacted equation of state (EOS) of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105) under hydrostatic compression of up to 45 GPa. Convergence tests for k-points sampling in the Brillouin zone show that a 3 × 1 × 2 mesh is required to reproduce the X-ray crystal structure at ambient conditions, and we confirm our finding with a separate supercell calculation. Our high-pressure EOS yields a bulk modulus of 19.2 GPa, and indicates a tendency towards anisotropic compression along the b lattice vector due to molecular orientations within the lattice. We find that the electronic energy band gap decreases from a semiconductor type of 1.3 eV at 0 GPa to quasi-metallic type of 0.6 eV at 45 GPa. The extensive intermolecular hydrogen bonds involving the oxide (–NO) and dioxide (–NO{sub 2}) interactions with the amine (–NH{sub 2}) group showed enhanced interactions with increasing pressure that should be discernible in the mid IR spectral region. We do not find evidence for structural phase transitions or chemically induced transformations within the pressure range of our study. The gas phase heat of formation is calculated at the G4 level of theory to be 22.48 kcal/mol, while we obtain 25.92 kcal/mol using the ccCA-PS3 method. Density functional theory calculations of the crystal and the gas phases provided an estimate for the heat of sublimation of 32.4 kcal/mol. We thus determine the room-temperature solid heat of formation of LLM-105 to be −9.9 or −6.5 kcal/mol based on the G4 or ccCA-PS3 methods, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Meeting the Challenges of Modeling Astrophysical Thermonuclear Explosions: Castro, Maestro, and the AMReX Astrophysics Suite

We describe the AMReX suite of astrophysics codes and their application to modeling problems in stellar astrophysics. Maestro is tuned to efficiently model subsonic convective flows while Castro models the highly compressible flows associated with stellar explosions. Both are built on the block-structured adaptive mesh refinement library AMReX. Together, these codes enable a thorough investigation of stellar phenomena, including Type Ia supernovae and X-ray bursts. We describe these science applications and the approach we are taking to make these codes performant on current and future many-core and GPU-based architectures.

79 ASTRONOMY AND ASTROPHYSICS↗

Applications of the contravariant form of the Navier-Stokes equations

The contravariant Navier-Stokes equations in weak conservation form are well suited to certain fluid flow analysis problems. Three dimensional contravariant momentum equations may be used to obtain Navier-Stokes equations in weak conservation form on a nonplanar two dimensional surface with varying streamsheet thickness. Thus a three dimensional flow can be simulated with two dimensional equations to obtain a quasi-three dimensional solution for viscous flow. When the Navier-Stokes equations on the two dimensional nonplanar surface are transformed to a generalized body fitted mesh coordinate system, the resulting equations are similar to the equations for a body fitted mesh coordinate system on the Euclidean plane. Contravariant momentum components are also useful for analyzing compressible, three dimensional viscous flow through an internal duct by parabolic marching. This type of flow is efficiently analyzed by parabolic marching methods, where the streamwise momentum equation is uncoupled from the two crossflow momentum equations. This can be done, even for ducts with a large amount of turning, if the Navier-Stokes equations are written with contravariant components.

Katsanis, T.↗

Analysis of Graphite-Reinforced Cementitious Composites

Strategically embedding graphite meshes in a compliant cementitious matrix produces a composite material with relatively high tension and compressive properties as compared to steel-reinforced structures fabricated from a standard concrete mix. Although these composite systems are somewhat similar, the methods used to analyze steel-reinforced composites often fail to characterize the behavior of their more advanced graphite-reinforced counterparts. This Technical Memorandum describes some of the analytical methods being developed to determine the deflections and stresses in graphite-reinforced cementitious composites. It is initially demonstrated that the standard transform section method fails to provide accurate results when the elastic moduli ratio exceeds 20. An alternate approach is formulated by using the rule of mixtures to determine a set of effective material properties for the composite. Tensile tests are conducted on composite samples to verify this approach. When the effective material properties are used to characterize the deflections of composite beams subjected to pure bending, an excellent agreement is obtained. Laminated composite plate theory is investigated as a means for analyzing even more complex composites, consisting of multiple graphite layers oriented in different directions. In this case, composite beams are analyzed using the laminated composite plate theory with material properties established from tensile tests. Then, finite element modeling is used to verify the results. Considering the complexity of the samples, a very good agreement is obtained.

Vaughan, R. E.↗

Direct Replacement of Arbitrary Grid-Overlapping by Non-Structured Grid

A new approach that uses nonstructured mesh to replace the arbitrarily overlapped structured regions of embedded grids is presented. The present methodology uses the Chimera composite overlapping mesh system so that the physical domain of the flowfield is subdivided into regions which can accommodate easily-generated grid for complex configuration. In addition, a Delaunay triangulation technique generates nonstructured triangular mesh which wraps over the interconnecting region of embedded grids. It is designed that the present approach, termed DRAGON grid, has three important advantages: eliminating some difficulties of the Chimera scheme, such as the orphan points and/or bad quality of interpolation stencils; making grid communication in a fully conservative way; and implementation into three dimensions is straightforward. A computer code based on a time accurate, finite volume, high resolution scheme for solving the compressible Navier-Stokes equations has been further developed to include both the Chimera overset grid and the nonstructured mesh schemes. For steady state problems, the local time stepping accelerates convergence based on a Courant - Friedrichs - Leury (CFL) number near the local stability limit. Numerical tests on representative steady and unsteady supersonic inviscid flows with strong shock waves are demonstrated.

Kao, Kai-Hsiung↗

Explosion-induced ignition and combustion of acetylene clouds

We investigate the explosion-induced ignition and combustion of an acetylene cloud in a rectangular chamber (10 cm × 10 cm × 39 cm). In the experiments, a 0.2-g PETN charge was located at $x = 9.7\,\hbox {cm}$ and a soap bubble (d=5cm) filled with pure acetylene was located at $x = 27\,\hbox {cm}$ as measured relative to the end wall. Detonation of the charge created a blast wave that crushed the soap bubble—inducing mixing with the air. After 0.55 ms, the mixture ignited, forming at turbulent combustion cloud. The flow was modeled using the compressible Navier–Stokes equations assuming unity Lewis number. Arrhenius-based kinetics were used to model ignition. Adaptive mesh refinement was used to capture turbulent mixing on the grid (the MILES approach of J. Boris). Computed pressures were found to be in agreement with measured pressure histories. Finite-rate kinetics were required to capture the ignition processes over the duration of the experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A hybridized discontinuous Galerkin method on mapped deforming domains

Here in this paper we present a hybridized discontinuous Galerkin (HDG) discretization for unsteady simulations of convection-dominated flows on mapped deforming domains. Mesh deformation is achieved through an arbitrary Lagrangian-Eulerian transformation with an analytical mapping. We present details of this transformation applied to the HDG system of equations, with focus on the auxiliary gradient equation, viscous stabilization, and output calculation. We discuss conditions under which optimal unsteady output convergence rates can be attained, and we show that both HDG and discontinuous Galerkin (DG) achieve these rates in advection-dominated flows. Results for scalar advection-diffusion and the Euler equations verify the implementation of the mesh motion mapping for both discretizations, show that HDG and DG yield similar results on a given mesh, and demonstrate differences in output convergence rates depending on the choice of HDG viscous stabilization. We note that such similar results bode well for HDG, which has fewer globally-coupled degrees of freedom compared to DG. A simulation of the unsteady compressible Navier-Stokes equations demonstrates again very similar results for HDG and DG and illustrates a pitfall of using steady-state adapted meshes for accurate unsteady simulations.

42 ENGINEERING↗

Modeling of turbulence for compression corner flows and internal flows

A compressible Reynolds averaged Navier-Stokes code is applied to examine the performances of basic turbulence models for unseparated and separated flows. The turbulence models considered are a zero-equation model and several two-equation models, including a new k-epsilon model with an eddy viscosity damping function depending upon the Reynolds number and the distance from the wall. The turbulence models are assessed using the following experimental flows: a channel flow, a backward facing step, and a two-dimensional compression corner at Mach 2.8. Discussions and comparisons of the experimental and numerical results are given. Mesh refinement is shown to have a significant beneficial effect on free shear layer flow results obtained with two-equation turbulence models. The results illustrate the usefulness of several turbulence models as a design tool for fluid engineering systems.

Champney, J. M.↗

Particle-mesh techniques

This is an introduction to numerical Particle-Mesh techniques, which are commonly used to model plasmas, gravitational N-body systems, and both compressible and incompressible fluids. The theory behind this approach is presented, and its practical implementation, both for serial and parallel machines, is discussed. This document is based on a four-hour lecture course presented by the author at the NASA Summer School for High Performance Computational Physics, held at Goddard Space Flight Center.

Macneice, Peter↗

Adaptive-mesh algorithms for computational fluid dynamics

The basic goal of adaptive-mesh algorithms is to distribute computational resources wisely by increasing the resolution of 'important' regions of the flow and decreasing the resolution of regions that are less important. While this goal is one that is worthwhile, implementing schemes that have this degree of sophistication remains more of an art than a science. In this paper, the basic pieces of adaptive-mesh algorithms are described and some of the possible ways to implement them are discussed and compared. These basic pieces are the data structure to be used, the generation of an initial mesh, the criterion to be used to adapt the mesh to the solution, and the flow-solver algorithm on the resulting mesh. Each of these is discussed, with particular emphasis on methods suitable for the computation of compressible flows.

Powell, Kenneth G.↗

High-Order Curvilinear Finite Element Methods for Lagrangian Hydrodynamics [High Order Curvilinear Finite Elements for Lagrangian Hydrodynamics]

The numerical approximation of the Euler equations of gas dynamics in a movingLagrangian frame is at the heart of many multiphysics simulation algorithms. Here, we present a general framework for high-order Lagrangian discretization of these compressible shock hydrodynamics equations using curvilinear finite elements. This method is an extension of the approach outlined in [Dobrev et al., Internat. J. Numer. Methods Fluids, 65 (2010), pp. 1295--1310] and can be formulated for any finite dimensional approximation of the kinematic and thermodynamic fields, including generic finite elements on two- and three-dimensional meshes with triangular, quadrilateral, tetrahedral, or hexahedral zones. We discretize the kinematic variables of position and velocity using a continuous high-order basis function expansion of arbitrary polynomial degree which is obtained via a corresponding high-order parametric mapping from a standard reference element. This enables the use of curvilinear zone geometry, higher-order approximations for fields within a zone, and a pointwise definition of mass conservation which we refer to as strong mass conservation. Moreover, we discretize the internal energy using a piecewise discontinuous high-order basis function expansion which is also of arbitrary polynomial degree. This facilitates multimaterial hydrodynamics by treating material properties, such as equations of state and constitutive models, as piecewise discontinuous functions which vary within a zone. To satisfy the Rankine--Hugoniot jump conditions at a shock boundary and generate the appropriate entropy, we introduce a general tensor artificial viscosity which takes advantage of the high-order kinematic and thermodynamic information available in each zone. Finally, we apply a generic high-order time discretization process to the semidiscrete equations to develop the fully discrete numerical algorithm. Our method can be viewed as the high-order generalization of the so-called staggered-grid hydrodynamics (SGH) approach and we show that under specific low-order assumptions, we exactly recover the classical SGH method. We also present numerical results from an extensive series of verification tests that demonstrate several important practical advantages of using high-order finite elements in this context.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Transient Heat and Material Flow Modeling of Friction Stir Processing of Magnesium Alloy using Threaded Tool

A three-dimensional transient computational fluid dynamics (CFD) model was developed to investigate the material flow and heat transfer during friction stir processing (FSP) in an AZ31B magnesium alloy. The material was assumed to be a non-Newtonian viscoplastic fluid, and the Zener-Hollomon parameter was used to describe the dependence of material viscosity on temperature and strain rate. The material constants used in the constitutive equation were determined experimentally from compression tests of the AZ31B Mg alloy under a wide range of strain rates and temperatures. A dynamic mesh method, combining both Lagrangian and Eulerian formulations, was used to capture the material flow induced by the movement of the threaded tool pin. Massless inert particles were embedded in the simulation domain to track the detailed history of material flow. The actual FSP was also carried out on a wrought Mg plate where temperature profiles were recorded by embedding thermocouples. The predicted transient temperature history was found to be consistent with that measured during FSP. Finally, the influence of the thread on the simulated results of thermal history and material flow was studied by comparing two models: one with threaded pin and the other with smooth pin surface.

36 MATERIALS SCIENCE↗

A Finite-Element Approach for Modeling Inviscid and Viscous Compressible Flows using Prismatic Grids

The Galerkin finite-element method is used to solve the Euler and Navier-Stokes equations on prismatic meshes. It is shown that the prismatic grid is advantageous for correctly and efficiently capturing the boundary layers in high Reynolds number flows. It can be captured accurately because of the ability to cluster grid points normal to the body. The efficiency derives from the implicit treatment of the normal direction. To treat the normal direction implicitly, a semi-implicit Runge-Kutta time stepping scheme is developed. The semi-implicit algorithm is validated on simple geometries for inviscid and viscous flows and its convergence history is compared to that of the explicit Runge-Kutta scheme. The semi-implicit scheme is shown to be a factor of 3 to 4 faster in terms of CPU time to convergence.

Pandya, S. A.↗

Deployable sensor system using mesh networking and satellite communication

A sensor system may be configured for continuous operation in a low resource environment and/or in extreme environmental conditions. The sensor system may have sufficient processing capabilities to provide scientific computing for pre-processing, quality control, statistical analysis, event classification, data compression and corrections (e.g., spikes in the data), autonomous decisions and actions, triggering other nodes, and information assurance functions that provide data confidentiality, data integrity, authentication, and non-repudiation. The hardware may have both mesh networking and satellite and cellular communication capability, and may be available for relatively low cost. Such a network provides the flexibility to have potentially any number of nodes be completely independent from one another. Thus, the network may scale across a diverse terrain.

97 MATHEMATICS AND COMPUTING↗