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NASA NTRS1989

Numerical simulation of unsteady incompressible viscous flows in generalized coordinate systems

Several numerical solutions of the three-dimensional unsteady incompressible Navier-Stokes equations in generalized coordinate systems are presented. The governing equations are discretized by finite volumes with special care to the accurate approximation of the geometric quantities. The unknowns are the pressure and the volume fluxes over the computational cell faces. This formulation results in a robust fractional step solution method for solving discrete equations. Although this method is formulated for the three-dimensional case, only two-dimensional unsteady results are given. Results are presented for a lid driven two-dimensional cavity flow at Reynolds number of 10,000 and for the flow over a circular cylinder with vortex shedding for several Reynolds numbers in the range 100 less than Re less than 1000.

Rossenfeld, Moshe↗

NASA NTRS1993

Three-dimensional unstructured grid Euler method applied to turbine blades

Flow through a turbine annular cascade is calculated using a three-dimensional Euler method based on unstructured tetrahedral meshes. The equations are integrated in time using an explicit Runge-Kutta time-stepping scheme. The inviscid flux terms are discretized using a cell-centered finite-volume formulation with upwind flux-difference splitting. The tetrahedral meshes around the turbine blade are generated using an advancing-front technique with forced geometric periodicity between the blades. Good agreement is obtained between the present calculation and the experiment for both surface pressure distribution and flow behavior in the passage between the blades, demonstrating the capability of the present methodology for turbomachinery flow applications.

Kwon, Oh J.↗

NASA NTRS1995

Shock-Induced Separated Structures in Symmetric Corner Flows

Three-dimensional supersonic viscous laminar flows over symmetric corners are considered in this paper. The characteristic features of such configurations are discussed and an historical survey on the past research work is presented. A new contribution based on a numerical technique that solves the parabolized form of the Navier-Stokes equations is presented. Such a method makes it possible to obtain very detailed descriptions of the flowfield with relatively modest CPU time and memory storage requirements. The numerical approach is based on a space-marching technique, uses a finite volume discretization and an upwind flux-difference splitting scheme (developed for the steady flow equations) for the evaluation of the inviscid fluxes. Second order accuracy is reached following the guidelines of the ENO schemes. Different free-stream conditions and geometrical configurations are considered. Primary and secondary streamwise vortical structures embedded in the boundary layer and originated by the interaction of the latter with shock waves are detected and studied. Computed results are compared with experimental data taken from literature.

DAmbrosio, Domenic↗

DOE OSTI2020

Optimization-based, property-preserving finite element methods for scalar advection equations and their connection to Algebraic Flux Correction

In this paper, we continue our efforts to exploit optimization and control ideas as a common foundation for the development of property-preserving numerical methods. Here we focus on a class of scalar advection equations whose solutions have fixed mass in a given Eulerian region and constant bounds in any Lagrangian volume. Our approach separates discretization of the equations from the preservation of their solution properties by treating the latter as optimization constraints. This relieves the discretization process from having to comply with additional restrictions and makes stability and accuracy the sole considerations in its design. A property-preserving solution is then sought as a state that minimizes the distance to an optimally accurate but not property-preserving target solution computed by the scheme, subject to constraints enforcing discrete proxies of the desired properties. Furthermore, we consider two such formulations in which the optimization variables are given by the nodal solution values and suitably defined nodal fluxes, respectively. A key result of the paper reveals that a standard Algebraic Flux Correction (AFC) scheme is a modified version of the second formulation obtained by shrinking its feasible set to a hypercube. In conclusion, we present numerical studies illustrating the optimization-based formulations and comparing them with AFC

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Coupling a Cellular Automaton Model with a Finite Element Model for Simulating Deformation and Recrystallization of a Low-Carbon Micro-alloyed Steel During Hot Compression

This study simulated the dynamic recrystallization (DRX) of a 2.25Cr-1Mo-0.25V steel by coupling a cellular automaton (CA) method with a finite element (FE) model. A secondary development program (SDP) on DEFORM-2D was carried out and the stress strain response, dislocation density evolution and DRX were considered. In this way, an interaction between the microstructural evolution and the deformation behavior can be taken into account. The values of temperature, strain and strain rate from the FE analysis were passed to the CA model. In turn, the recrystallized grain size and volume fraction of DRX predicted by the CA model were passed back to the FE model, which influenced the flow stress. To validate the SDP, the predicted loads and flow stress were compared with the experimental values, which show a good agreement. Then, the SDP program was used to simulate the microstructural evolution. Morphological characteristic, recrystallized grain size and volume fraction of DRX were predicted and compared with experimental data. The results show that the comparison is in a good agreement, which indicates the SDP is reliable.

36 MATERIALS SCIENCE↗

DOE OSTI2014

High-order continuum kinetic method for modeling plasma dynamics in phase space

Continuum methods offer a high-fidelity means of simulating plasma kinetics. While computationally intensive, these methods are advantageous because they can be cast in conservation-law form, are not susceptible to noise, and can be implemented using high-order numerical methods. Advances in continuum method capabilities for modeling kinetic phenomena in plasmas require the development of validation tools in higher dimensional phase space and an ability to handle non-cartesian geometries. To that end, a new benchmark for validating Vlasov-Poisson simulations in 3D (x,v x ,v y ) is presented. The benchmark is based on the Dory-Guest-Harris instability and is successfully used to validate a continuum finite volume algorithm. To address challenges associated with non-cartesian geometries, unique features of cylindrical phase space coordinates are described. Preliminary results of continuum kinetic simulations in 4D (r,z,v r ,v z ) phase space are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

High-Order Hybrid RANS-LES Study of NACA0012 Wing Sections

We develop hybrid RANS-LES strategies within Nek5000 for application to airfoil sections at small flight configurations. We present a validation and verification study of $k \space – \space \tau$ SST applied to a NACA 0012 wing section in a pure RANS and in a hybrid RANS-LES setup. The study shows good corroboration with existing experimental and numerical datasets. We also analyze some of the observed discrepancies with the experiments by evaluating the side wall “blocking” effect. We demonstrate that for the hybrid turbulence modeling approach a high-order spectral- element discretization converges faster (i.e., with less resolution) than a representative low-order finite-volume-based approach.

42 ENGINEERING↗

DOE OSTI2020

A general framework for substructuring-based domain decomposition methods for models having nonlocal interactions [minus appendix B]

A rigorous mathematical framework is provided for a substructuring-based domain-decomposition approach for nonlocal problems that feature interactions between points separated by a finite distance. Here, by substructuring it is meant that a traditional geometric configuration for local partial differential equation problems is used in which a computational domain is subdivided into non-overlapping subdomains. In the nonlocal setting, this approach is substructuring-based in the sense that those subdomains interact with neighboring domains over interface regions having finite volume, in contrast to the local PDE setting in which interfaces are lower dimensional manifolds separating abutting subdomains Key results include the equivalence between the global, single-domain nonlocal problem and its multi-domain reformulation, both at the continuous and discrete levels. These results provide the rigorous foundation necessary for the development of efficient solution strategies for nonlocal domain-decomposition methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Eigenfrequency constrained topology optimization of finite strain hyperelastic structures

This paper incorporates hyperelastic materials, nonlinear kinematics, and preloads in eigenfrequency constrained density–based topology optimization. The formulation allows for initial finite deformations and subsequent small harmonic oscillations. The optimization problem is solved by the method of moving asymptotes, and the gradients are calculated using the adjoint method. Both simple and degenerate eigenfrequencies are considered in the sensitivity analysis. A well-posed topology optimization problem is formulated by filtering the volume fraction field. Numerical issues associated with excessive distortion and spurious eigenmodes in void regions are reduced by removing low volume fraction elements. The optimization objective is to maximize stiffness subject to a lower bound on the fundamental eigenfrequency. Numerical examples show that the eigenfrequencies drastically change with the load magnitude, and that the optimization is able to produce designs with the desired fundamental eigenfrequency.

42 ENGINEERING↗

DOE OSTI2023

CTH v.13.0

SAND2023-06647O The latest version of the CTH suite of computer codes is a flexible software system designed to treat a wide range of shock wave propagation and material motion phenomena in 1-D, 2-D, or 3-D. CTH has models suitable for most conditions encountered in shock physics including material strength, fracture, distended materials, high explosives, and a variety of boundary conditions. Finite-volume analogs of the Lagrangian equations of momentum and energy conservation are employed with continuous rezoning to construct Eulerian differencing. Adaptive mesh refinement is available for maximizing resolution in regions of interest. Full Lagrangian numerical methods are available for mechanical or structural response.

Schumacher, Shane↗

NASA NTRS1992

Two Algorithms For Hypersonic Computations

Two new algorithms developed containing several desirable features for computation of viscous, hypersonic flows about three-dimensional geometries. Employ upwind-differencing methods, having unsurpassed abiltiy to capture flow-field discontinuities without need for any user-specified smoothing terms. Particularly important in hypersonic computations where many complicated wave structures exist. Both algorithms based on finite-volume formulation to ensure schemes, including boundary conditions, fully conservative.

Molvik, G. A.↗

NASA NTRS2001

Investigation of Conjugate Heat Transfer in Turbine Blades and Vanes

We report on work carried out to develop a 3-D coupled Finite Volume/BEM-based temperature forward/flux back (TFFB) coupling algorithm to solve the conjugate heat transfer (CHT) which arises naturally in analysis of systems exposed to a convective environment. Here, heat conduction within a structure is coupled to heat transfer to the external fluid which is convecting heat into or out of the solid structure. There are two basic approaches to solving coupled fluid structural systems. The first is a direct coupling where the solution of the different fields is solved simultaneously in one large set of equations. The second approach is a loose coupling strategy where each set of field equations is solved to provide boundary conditions for the other. The equations are solved in turn until an iterated convergence criterion is met at the fluid-solid interface. The loose coupling strategy is particularly attractive when coupling auxiliary field equations to computational fluid dynamics codes. We adopt the latter method in which the BEM is used to solve heat conduction inside a structure which is exposed to a convective field which in turn is resolved by solving the NASA Glenn compressible Navier-Stokes finite volume code Glenn-HT. The BEM code features constant and bi-linear discontinuous elements and an ILU-preconditioned GMRES iterative solver for the resulting non-symmetric algebraic set arising in the conduction solution. Interface of flux and temperature is enforced at the solid/fluid interface, and a radial-basis function scheme is used to interpolated information between the CFD and BEM surface grids. Additionally, relaxation is implemented in passing the fluxes from the conduction solution to the fluid solution. Results from a simple test example are reported.

Kassab, A. J.↗

NASA NTRS1995

Blocked Grid Technologies as Applied to Aerodynamic Configurations

The advantages and disadvantages of the blocked grid methodology are discussed using results from ENSAERO, CNS, and CNS-FV. The first two codes are based on finite differences and the last on cell-centered finite volume formulation. Techniques that enhance the utility of the blocked (or patched) grid methodology are described. These techniques include mesh discontinuous zonal interfaces, sliding zonal interfaces, fast search procedures, and virtual zones. All of these methods are designed with two goals; namely extend the use of patched grids to unsteady aerodynamics, e.g. oscillating control flaps, and provide the user more flexibility in the grid topologies available for gridding complex aerodynamic configurations. For example, the use of virtual zones allows the user the choice of using one grid topology for surface grids, and another for the volume grids. This additional flexibility has a large impact in the amount of calendar time required to block and grid a complex aerodynamic configuration. Several examples are shown demonstrating the new features. Other issues involving grid generation are also discussed. In particular the existing problems of defining grid quality measures which are relevant are also described.

Klopfer, Goetz↗

DOE OSTI2012

A new model to simulate the elastic properties of mineralized collagen fibril

Bone, because of its hierarchical composite structure, exhibits an excellent combination of stiffness and toughness, which is due substantially to the structural order and deformation at the smaller length scales. Here, we focus on the mineralized collagen fibril, consisting of hydroxyapatite plates with nanometric dimensions aligned within a protein matrix, and emphasize the relationship between the structure and elastic properties of a mineralized collagen fibril. We create two- and three-dimensional representative volume elements to represent the structure of the fibril and evaluate the importance of the parameters defining its structure and properties of the constituent mineral and collagen phase. Elastic stiffnesses are calculated by the finite element method and compared with experimental data obtained by synchrotron X-ray diffraction. The computational results match the experimental data well, and provide insight into the role of the phases and morphology on the elastic deformation characteristics. Also, the effects of water, imperfections in the mineral phase and mineral content outside the mineralized collagen fibril upon its elastic properties are discussed.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

An Embedded 3D Fracture Modeling Approach for Simulating Fracture-Dominated Fluid Flow and Heat Transfer in Geothermal Reservoirs

An efficient modeling approach is described for incorporating arbitrary 3D, discrete fractures, such as hydraulic fractures or faults, into modeling fracture-dominated fluid flow and heat transfer in fractured geothermal reservoirs. This technique allows 3D discrete fractures to be discretized independently from surrounding rock volume and inserted explicitly into a primary fracture/matrix grid, generated without including 3D discrete fractures in prior. An effective computational algorithm is developed to discretize these 3D discrete fractures and construct local connections between 3D fractures and fracture/matrix grid blocks of representing the surrounding rock volume. The constructed gridding information on 3D fractures is then added to the primary grid. This embedded fracture modeling approach can be directly implemented into a developed geothermal reservoir simulator via the integral finite difference (IFD) method or with TOUGH2 technology This embedded fracture modeling approach is very promising and computationally efficient to handle realistic 3D discrete fractures with complicated geometries, connections, and spatial distributions. Compared with other fracture modeling approaches, it avoids cumbersome 3D unstructured, local refining procedures, and increases computational efficiency by simplifying Jacobian matrix size and sparsity, while keeps sufficient accuracy. Several numeral simulations are present to demonstrate the utility and robustness of the proposed technique. Our numerical experiments show that this approach captures all the key patterns about fluid flow and heat transfer dominated by fractures in these cases. Thus, this approach is readily available to simulation of fractured geothermal reservoirs with both artificial and natural fractures.

15 GEOTHERMAL ENERGY↗

DOE OSTI2014

Three-body interactions in complex fluids: Virial coefficients from simulation finite-size effects

A simulation technique is described for quantifying the contribution of three-body interactions to the thermodynamical properties of coarse-grained representations of complex fluids. The method is based on a new approach for determining virial coefficients from the measured volume-dependent asymptote of a certain structural function. By comparing the third virial coefficient B{sub 3} for a complex fluid with that of an approximate coarse-grained model described by a pair potential, three body effects can be quantified. The strategy is applicable to both Molecular Dynamics and Monte Carlo simulation. Its utility is illustrated via measurements of three-body effects in models of star polymers and in highly size-asymmetrical colloid-polymer mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

Advanced Multi-phase Flow CFD Model Development for Solid Rocket Motor Flowfield Analysis

A Navier-Stokes code, finite difference Navier-Stokes (FDNS), is used to analyze the complicated internal flowfield of the SRM (solid rocket motor) to explore the impacts due to the effects of chemical reaction, particle dynamics, and slag accumulation on the solid rocket motor (SRM). The particulate multi-phase flowfield with chemical reaction, particle evaporation, combustion, breakup, and agglomeration models are included in present study to obtain a better understanding of the SRM design. Finite rate chemistry model is applied to simulate the chemical reaction effects. Hermsen correlation model is used for the combustion simulation. The evaporation model introduced by Spalding is utilized to include the heat transfer from the particulate phase to the gase phase due to the evaporation of the particles. A correlation of the minimum particle size for breakup expressed in terms of the Al/Al2O3 surface tension and shear force was employed to simulate the breakup of particles. It is assumed that the breakup occurs when the Weber number exceeds 6. A simple L agglomeration model is used to investigate the particle agglomeration. However, due to the large computer memory requirements for the agglomeration model, only 2D cases are tested with the agglomeration model. The VOF (Volume of Fluid) method is employed to simulate the slag buildup in the aft-end cavity of the redesigned solid rocket motor (RSRM). Monte Carlo method is employed to calculate the turbulent dispersion effect of the particles. The flowfield analysis obtained using the FDNS code in the present research with finite rate chemical reaction, particle evaporation, combustion, breakup, agglomeration, and VOG models will provide a design guide for the potential improvement of the SRM including the use of materials and the shape of nozzle geometry such that a better performance of the SRM can be achieved. The simulation of the slag buildup in the aft-end cavity can assist the designer to improve the design of the RSRM geometry.

Liaw, Paul↗

DOE OSTI2012

Relationship between x-ray illumination field size and flat field intensity and its impacts on x-ray imaging

Purpose: X-ray cone-beam CT (CBCT) is being increasingly used for various clinical applications, while its performance is still hindered by image artifacts. This work investigates a new source of reconstruction error, which is often overlooked in the current CBCT imaging. The authors find that the x-ray flat field intensity (I{sub 0}) varies significantly as the illumination volume size changes at different collimator settings. A wrong I{sub 0} value leads to inaccurate CT numbers of reconstructed images as well as wrong scatter measurements in the CBCT research. Methods: The authors argue that the finite size of x-ray focal spot together with the detector glare effect cause the I{sub 0} variation at different illumination sizes. Although the focal spot of commercial x-ray tubes typically has a nominal size of less than 1 mm, the off-focal-spot radiation covers an area of several millimeters on the tungsten target. Due to the large magnification factor from the field collimator to the detector, the penumbra effects of the collimator blades result in different I{sub 0} values for different illumination field sizes. Detector glare further increases the variation, since one pencil beam of incident x-ray is scattered into an area of several centimeters on the detector. In this paper, the authors study these two effects by measuring the focal spot distribution with a pinhole assembly and the detector point spread function (PSF) with an edge-spread function method. The authors then derive a formula to estimate the I{sub 0} value for different illumination field sizes, using the measured focal spot distribution and the detector PSF. Phantom studies are carried out to investigate the accuracy of scatter measurements and CT images with and without considering the I{sub 0} variation effects. Results: On our tabletop system with a Varian Paxscan 4030CB flat-panel detector and a Varian RAD-94 x-ray tube as used on a clinical CBCT system, the focal spot distribution has a measured full-width-at-half-maximum (FWHM) of around 0.4 mm, while non-negligible off-focal-spot radiation is observed at a distance of over 2 mm from the center. The measured detector PSF has an FWHM of 0.510 mm, with a shape close to Gaussian. From these two distributions, the author calculate the estimated I{sub 0} values at different collimator settings. The I{sub 0} variation mainly comes from the focal spot effect. The estimation matches well with the measurements at different collimator widths in both horizontal and vertical directions, with an average error of less than 3%. Our method improves the accuracy of conventional scatter measurements, where the scatter is measured as the difference between fan-beam and cone-beam projections. On a uniform water cylinder phantom, more accurate I{sub 0} suppresses the unfaithful high-frequency signals at the object boundaries of the measured scatter, and the SPR estimation error is reduced from 0.158 to 0.014. The proposed I{sub 0} estimation also reduces the reconstruction error from about 20 HU on the Catphan Copyright-Sign 600 phantom in the selected regions of interest to less than 4 HU. Conclusions: The I{sub 0} variation is identified as one additional error source in x-ray imaging. By measuring the focal-spot distribution and detector PSF, the authors propose an accurate method of estimating the I{sub 0} value for different illumination field sizes. The method obtains more accurate scatter measurements and therefore facilitates scatter correction algorithm designs. As correction methods for other CBCT artifacts become more successful, our research is significant in further improving the CBCT imaging accuracy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗