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Computational thermal, chemical, fluid, and solid mechanics for geosystems management.

This document summarizes research performed under the SNL LDRD entitled - Computational Mechanics for Geosystems Management to Support the Energy and Natural Resources Mission. The main accomplishment was development of a foundational SNL capability for computational thermal, chemical, fluid, and solid mechanics analysis of geosystems. The code was developed within the SNL Sierra software system. This report summarizes the capabilities of the simulation code and the supporting research and development conducted under this LDRD. The main goal of this project was the development of a foundational capability for coupled thermal, hydrological, mechanical, chemical (THMC) simulation of heterogeneous geosystems utilizing massively parallel processing. To solve these complex issues, this project integrated research in numerical mathematics and algorithms for chemically reactive multiphase systems with computer science research in adaptive coupled solution control and framework architecture. This report summarizes and demonstrates the capabilities that were developed together with the supporting research underlying the models. Key accomplishments are: (1) General capability for modeling nonisothermal, multiphase, multicomponent flow in heterogeneous porous geologic materials; (2) General capability to model multiphase reactive transport of species in heterogeneous porous media; (3) Constitutive models for describing real, general geomaterials under multiphase conditions utilizing laboratory data; (4) General capability to couple nonisothermal reactive flow with geomechanics (THMC); (5) Phase behavior thermodynamics for the CO2-H2O-NaCl system. General implementation enables modeling of other fluid mixtures. Adaptive look-up tables enable thermodynamic capability to other simulators; (6) Capability for statistical modeling of heterogeneity in geologic materials; and (7) Simulator utilizes unstructured grids on parallel processing computers.

99 GENERAL AND MISCELLANEOUS↗

A grid generation and flow solution method for the Euler equations on unstructured grids

A grid generation and flow solution algorithm for the Euler equations on unstructured grids is presented. The grid generation scheme utilizes Delaunay triangulation and self-generates the field points for the mesh based on cell aspect ratios and allows for clustering near solid surfaces. The flow solution method is an implicit algorithm in which the linear set of equations arising at each time step is solved using a Gauss Seidel procedure which is completely vectorizable. In addition, a study is conducted to examine the number of subiterations required for good convergence of the overall algorithm. Grid generation results are shown in two dimensions for a National Advisory Committee for Aeronautics (NACA) 0012 airfoil as well as a two-element configuration. Flow solution results are shown for two-dimensional flow over the NACA 0012 airfoil and for a two-element configuration in which the solution has been obtained through an adaptation procedure and compared to an exact solution. Preliminary three-dimensional results are also shown in which subsonic flow over a business jet is computed.

Anderson, W. Kyle↗

An Analysis Technique/Automated Tool for Comparing and Tracking Analysis Modes of Different Finite Element Models

An analysis technique was developed to compare and track mode shapes for different Finite Element Models. The technique may be applied to a variety of structural dynamics analyses, including model reduction validation (comparing unreduced and reduced models), mode tracking for various parametric analyses (e.g., launch vehicle model dispersion analysis to identify sensitivities to modal gain for Guidance, Navigation, and Control), comparing models of different mesh fidelity (e.g., a coarse model for a preliminary analysis compared to a higher-fidelity model for a detailed analysis) and mode tracking for a structure with properties that change over time (e.g., a launch vehicle from liftoff through end-of-burn, with propellant being expended during the flight). Mode shapes for different models are compared and tracked using several numerical indicators, including traditional Cross-Orthogonality and Modal Assurance Criteria approaches, as well as numerical indicators obtained by comparing modal strain energy and kinetic energy distributions. This analysis technique has been used to reliably identify correlated mode shapes for complex Finite Element Models that would otherwise be difficult to compare using traditional techniques. This improved approach also utilizes an adaptive mode tracking algorithm that allows for automated tracking when working with complex models and/or comparing a large group of models.

Towner, Robert L.↗

Supersonic flow about circular cones at large angles of attack - A floating discontinuity approach

The technique of floating shock fitting is adapted to the computation of the inviscid flowfield about circular cones in a supersonic free stream at angles of attack that exceed the cone half-angle. In those regions in which the governing conical equations are mixed elliptic-hyperbolic, the fully hyperbolic form is obtained by the addition of the temporal derivative. The resulting equations are applicable over the complete range of free-stream Mach numbers, angles of attack and cone half-angles for which the bow shock is attached. An explicit finite-difference algorithm is used to obtain the solution by an unsteady relaxation approach. The bow shock, embedded crossflow shock, and vortical singularity in the leeward symmetry plane are all treated as floating discontinuities in a fixed computational mesh. The method yields excellent results for the bow and embedded shocks, however, the solution in the leeward symmetry plane exhibits viscous-like effects and does not appear to adequately predict the behavior of the vortical singularity.

Daywitt, J.↗

High order interpolation of magnetic fields with vector potential reconstruction for particle simulations

We propose a method for interpolating divergence-free continuous magnetic fields via vector potential reconstruction using Hermite interpolation, which ensures high-order continuity for applications requiring adaptive, high-order ordinary differential equation (ODE) integrators, such as the Dormand-Prince method. The method provides C(m) continuity and achieves high-order accuracy, making it particularly suited for particle trajectory integration and Poincaré section analysis under optimal integration order and timestep adjustments. Through numerical experiments, we demonstrate that the Hermite interpolation method preserves volume and continuity, which are critical for conserving toroidal canonical momentum and magnetic moment in guiding center simulations, especially over long-term trajectory integration. Furthermore, we analyze the impact of insufficient derivative continuity on Runge-Kutta schemes and show how it degrades accuracy at low error tolerances, introducing discontinuity-induced truncation errors. Lastly, we demonstrate performant Poincaré section analysis in two relevant settings of field data collocated from finite element meshes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Three-dimensional analysis of anisotropic spatially reinforced structures

The material-adaptive three-dimensional analysis of inhomogeneous structures based on the meso-volume concept and application of deficient spline functions for displacement approximations is proposed. The general methodology is demonstrated on the example of a brick-type mosaic parallelepiped arbitrarily composed of anisotropic meso-volumes. A partition of each meso-volume into sub-elements, application of deficient spline functions for a local approximation of displacements and, finally, the use of the variational principle allows one to obtain displacements, strains, and stresses at anypoint within the structural part. All of the necessary external and internal boundary conditions (including the conditions of continuity of transverse stresses at interfaces between adjacent meso-volumes) can be satisfied with requisite accuracy by increasing the density of the sub-element mesh. The application of the methodology to textile composite materials is described. Several numerical examples for woven and braided rectangular composite plates and stiffened panels under transverse bending are considered. Some typical effects of stress concentrations due to the material inhomogeneities are demonstrated.

Bogdanovich, Alexander E.↗

Unstructured grid large eddy simulation of wall bounded turbulent flows

Historically, large eddy simulations (LES) have been restricted to simple geometries where spectral or finite difference methods have dominated due to their efficient use of structured grids. Structured grids, however, not only have difficulty representing complex domains and adapting to complicated flow features, but also are rather inefficient for simulating flows at high Reynolds numbers. The lack of efficiency stems from the need to resolve the viscous sub layer which requires very fine resolution in all three directions near the wall. Structured grids make use of a stretching to reduce the normal grid spacing but must carry the fine resolution in the streamwise and spanwise directions throughout the domain. The unnecessarily fine grid for much of the domain leads to disturbingly high grid estimates. Chapman (1979), and later Moin & Jimenez (1993), pointed out that, in order to advance the technology to airfoils at flight Reynolds numbers, structured grids must be abandoned in lieu of what are known as nested or unstructured grids. We illustrate the ability of an unstructured mesh to refine only the near wall region. Note the large number of points near the wall (where the fine vortical features need better resolution) and the coarseness in all directions away from the wall (where the scales are much larger). The important difference between this approach and the usual structured grid stretching is that the number of elements used to discretize the spanwise and streamwise features of the flow is reduced in each successive layer coming off the wall. This is due to the fact that the elements not only grow in the normal direction, but in the other directions as well. This greatly reduces the total number of points or elements required for a given Reynolds number flow.

Jansen, Kenneth↗

Simulation of a Periodic Jet in a Crossflow with a RANS Solver Using an Unstructured Grid

A second-order unstructured-grid code, developed and used primarily for steady aerodynamic simulations, is applied to the synthetic jet in a cross flow. The code, FUN3D, is a vertex-centered finite-volume method originally developed by Anderson[1, 2], and is currently supported by members of the Fast Adaptive Aerospace Tools team at NASA Langley. Used primarily for design[3] and analysis[4] of steady aerodynamic configurations, FUN3D incorporates a discrete adjoint capability, and supports parallel computations using MPI. A detailed description of the FUN3D code can be found in the references given above. The code is under continuous development and contains a variety of flux splitting algorithms for the inviscid terms, two methods for computing gradients, several turbulence models, and several solution methodologies; all in varying states of development. Only the most robust and reliable components, based on experiences with steady aerodynamic simulations, were employed in this work. As applied in this work, FUN3D solves the Reynolds averaged Navier-Stokes equations using the one equation turbulence model of Spalart and Allmaras[5]. The spatial discretization is formed on unstructured meshes using a vertex-centered approach. The inviscid terms are evaluated by a flux-difference splitting formulation using least-squares reconstruction and Roe-type approximate Riemann fluxes. Green-Gauss gradient evaluations are used for viscous and turbulence modeling terms. The discrete spatial operator is combined with a backward time operator which is then solved iteratively using point or line Gauss-Seidel and local time stepping in a pseudo time. For steady flows, the physical time step is set to infinity and the pseudo time step is ramped up with the iteration count. A second-order backward in time operator is used for time accurate flows with 20 to 50 steps in the pseudo time applied at each physical time step. For this effort, FUN3D was modified to support spatially varying boundary and initial conditions, and unsteady boundary conditions. Also, a specialized in/out flow boundary condition was implemented to model the action of the diaphragm. This boundary condition is described below in more detail. The grids were generated using the internally developed codes GridEX[6] for meshing the surfaces and inviscid regions of the domain, and for CAD access; and MesherX[7] for meshing the viscous regions. Grid spacing in on the surfaces and in the inviscid regions are indirectly controlled by specifying sources. The viscous layers are generated using an advancing layer technique. MeshersX allows the user to control the spatial variation of the first step off the surface, growth rates, and the termination criterion by providing small problem dependent subroutines.

Atkins, H. L.↗

Zgoubi Users' Guide

The computer code zgoubi calculates trajectories of charged particles in magnetic and electric fields. At the origin specially adapted to the definition and adjustment of beam lines and magnetic spectrometers, it has so evolved that it allows the study of systems including complex sequences of optical elements such as dipoles, quadrupoles, arbitrary multipoles, FFAG magnets and other magnetic or electric devices, and is able as well to handle periodic structures. Compared to other codes, it presents several peculiarities, as follows - a non-exhaustive list : • a numerical method for integrating the Lorentz equation, based on Taylor series, which optimizes computing time and provides high accuracy and strong symplecticity, • spin tracking, using the same numerical method as for the Lorentz equation, • account of stochastic photon emission, and its effects on particle dynamics, • calculation of the synchrotron radiation electric field and spectra in arbitrary magnetic fields, from the ray-tracing outcomes, • the possibility of using a mesh, which allows ray-tracing from simulated or measured (1-D, 2-D or 3-D) electric and magnetic field maps, • a number Monte Carlo procedures : unlimited number of trajectories, in-flight decay, stochastic radiation, etc., • built-in fitting procedures allowing arbitrary variables and a large variety of constraints, easily expandable, • multi-turn tracking in circular accelerators including features proper to machine parameter calculation and survey, • simulation of time-varying power supplies, and • simulation of arbitrary radio-frequency programs. The initial version of zgoubi was dedicated to ray-tracing in magnetic elements, beam lines, spectrometers. It was perfected for the purpose of studying, and operating, the four spectrometers SPES I, II, III, IV at the Laboratoire National SATURNE (CEA-Saclay, France), and, later, SPEG at GANIL (Caen, France). Developments regarding spin tracking and ray-tracing in combined electric and magnetic fields were implemented, in the late 1980s and early 1990s respectively. In the mid-1990s, the computation of synchrotron radiation electromagnetic impulse and spectra was introduced, for the purpose of synchrotron radiation diagnostic R&D at LEP, and further applied to the design of the SR diagnostics installations at LHC in the early 2000s. In the mean time, several new optical elements were added, such as electro-magnetic and other electrostatic lenses. Used since several years for special studies in periodic machines (e.g., SATURNE at Saclay, COSY at Julich, LEP and LHC at CERN), zgoubi has also undergone extensive developments regarding storage ring related features. Many developments have been accomplished since the early 2000s in the frame of a number of project design and beam dynamics studies, as the neutrino factory, lepton and hadron colliders, spin studies at AGS and RHIC, etc. As a consequence the list of optical elements and the compendium of numerical methods, so-called “Glossary of Keywords” list, pp. 7 and 169, has stretched with new simulation and computing procedures, ranging from fitting (FIT2 procedure ; additional constraints) to overlapping magnetic field capabilities (DIPOLES, FFAG), spin manipulation (SPINR), optical elements (BEAMBEAM), radiation damping tools (SRLOSS) and many others (FAISTORE, MAP2D-E, OPTICS, PICKUPS, TWISS, etc.). The graphic interface to zgoubi (zpop, Part D) has undergone extensive developments, making it a convenient companion tool to the use of zgoubi.

43 PARTICLE ACCELERATORS↗

Learning model combining convolutional deep neural network with a self-attention mechanism for AC optimal power flow

Alternating current optimal power flow (OPF) analysis is critical for efficient and reliable operation of power systems. For large systems or repetitive computations, the traditional methods such as the direct and gradient methods, or non-traditional methods, such as the genetic algorithm and simulating annealing, are time-consuming and unsuitable for real-time computing. The work in this paper proposes a novel framework to obtain the optimal solution of power flow in real-time using a combination of convolutional neural networks and a self-attention mechanism. All parameters of the power networks are rearranged in an image-like shape of a multi-channel image where each channel is a two-dimensional matrix. The proposed approach is adaptive with every input size of power systems as well as frequent variations of network topologies without intervention to the framework core. The encompassment of all power system contexts in which all parameters of internal elements, generation costs, and topology information are included, contributes to the higher accuracy of inference compared to other current machine-learning-based OPF-solving methods. Besides, the proposed framework established on ubiquitous platforms is effortlessly integrated into current infrastructures of power systems, and the great efficiency along with the computation speed may serve as a critical point for practical implications, such as enabling faster decision-making during real-time operations, predicting system contingencies, and remedial actions based on an offline pre-trained model. Furthermore, this supervised learning process is applied to the dataset of four case studies of meshed power systems: the IEEE 5-bus system (IEEE-5), the IEEE 30-bus system (IEEE-30), the IEEE 39-bus system (IEEE-39), and the IEEE 57-bus system (IEEE-57) to prove the efficacy of the proposed method.

42 ENGINEERING↗

Low conducting metal screen support flange

In a very high or very low temperature duct system in which duct insulation is terminated at selected locations so as to be not coextensive with the duct, an annular metal perforated or mesh screen support flange is used, as a low conductor of heat or cold, between the duct and an outer insulation cover to retain the end of the insulation and to support its usually very thin cover. The screen may be Z-shaped in cross section having a small diameter annular portion to surround and be secured to the duct adjacent the end of the insulation. A generally radially extending portion of the screen extends outwardly from the small diameter portion and adjacent the end of the insulation. The periphery of the radially extending portion is in alignment with the outer peripheral surface of the insulation and the outer peripheral surface of the insulation cover. A large diameter annular portion of the screen extends longitudinally from the periphery in the direction opposite the small diameter portion, and is adapted to surround the insulation and its cover and be secured thereto. The screen may also be U or channel-shaped with one longitudinally directed leg secured to the insulation cover and the other leg secured to the duct under the insulation.

Lestak, Robert G.↗

Higher-order adaptive finite-element methods for orbital-free density functional theory

In the present work, we study various numerical aspects of higher-order finite-element discretizations of the non-linear saddle-point formulation of orbital-free density-functional theory. We first investigate the robustness of viable solution schemes by analyzing the solvability conditions of the discrete problem. We find that a staggered solution procedure where the potential fields are computed consistently for every trial electron-density is a robust solution procedure for higher-order finite-element discretizations. We next study the convergence properties of higher-order finite-element discretizations of orbital-free density functional theory by considering benchmark problems that include calculations involving both pseudopotential as well as Coulomb singular potential fields. Our numerical studies suggest close to optimal rates of convergence on all benchmark problems for various orders of finite-element approximations considered in the present study. We finally investigate the computational efficiency afforded by various higher-order finite-element discretizations, which constitutes the main aspect of the present work, by measuring the CPU time for the solution of discrete equations on benchmark problems that include large Aluminum clusters. In these studies, we use mesh coarse-graining rates that are derived from error estimates and an a priori knowledge of the asymptotic solution of the far-field electronic fields. Our studies reveal a significant 100-1000 fold computational savings afforded by the use of higher-order finite-element discretization, alongside providing the desired chemical accuracy. We consider this study as a step towards developing a robust and computationally efficient discretization of electronic structure calculations using the finite-element basis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Overcoming element quality dependence of finite elements with adaptive extended stencil FEM (AES‐FEM)

Summary The finite element methods (FEMs) are important techniques in engineering for solving partial differential equations, but they depend heavily on element shape quality for stability and good performance. In this paper, we introduce the Adaptive Extended Stencil Finite Element Method (AES‐FEM) as a means for overcoming this dependence on element shape quality. Our method replaces the traditional basis functions with a set of generalized Lagrange polynomial basis functions , which we construct using local weighted least‐squares approximations. The method preserves the theoretical framework of FEM and allows imposing essential boundary conditions and integrating the stiffness matrix in the same way as the classical FEM. In addition, AES‐FEM can use higher‐degree polynomial basis functions than the classical FEM, while virtually preserving the sparsity pattern of the stiffness matrix. We describe the formulation and implementation of AES‐FEM and analyze its consistency and stability. We present numerical experiments in both 2D and 3D for the Poisson equation and a time‐independent convection–diffusion equation. The numerical results demonstrate that AES‐FEM is more accurate than linear FEM, is also more efficient than linear FEM in terms of error versus runtime, and enables much better stability and faster convergence of iterative solvers than linear FEM over poor‐quality meshes. Copyright © 2016 John Wiley & Sons, Ltd.

Conley, Rebecca↗

TH-A-BRF-08: Deformable Registration of MRI and CT Images for MRI-Guided Radiation Therapy

Purpose: To evaluate the quality of a commercially available MRI-CT image registration algorithm and then develop a method to improve the performance of this algorithm for MRI-guided prostate radiotherapy. Methods: Prostate contours were delineated on ten pairs of MRI and CT images using Eclipse. Each pair of MRI and CT images was registered with an intensity-based B-spline algorithm implemented in Velocity. A rectangular prism that contains the prostate volume was partitioned into a tetrahedral mesh which was aligned to the CT image. A finite element method (FEM) was developed on the mesh with the boundary constraints assigned from the Velocity generated displacement vector field (DVF). The resultant FEM displacements were used to adjust the Velocity DVF within the prism. Point correspondences between the CT and MR images identified within the prism could be used as additional boundary constraints to enforce the model deformation. The FEM deformation field is smooth in the interior of the prism, and equal to the Velocity displacements at the boundary of the prism. To evaluate the Velocity and FEM registration results, three criteria were used: prostate volume conservation and center consistence under contour mapping, and unbalanced energy of their deformation maps. Results: With the DVFs generated by the Velocity and FEM simulations, the prostate contours were warped from MRI to CT images. With the Velocity DVFs, the prostate volumes changed 10.2% on average, in contrast to 1.8% induced by the FEM DVFs. The average of the center deviations was 0.36 and 0.27 cm, and the unbalance energy was 2.65 and 0.38 mJ/cc3 for the Velocity and FEM registrations, respectively. Conclusion: The adaptive FEM method developed can be used to reduce the error of the MIbased registration algorithm implemented in Velocity in the prostate region, and consequently may help improve the quality of MRI-guided radiation therapy.

60 APPLIED LIFE SCIENCES↗

Anticipating how rain-on-snow events will change through the 21st century: lessons from the 1997 new year’s flood event

The California-Nevada 1997 New Year’s flood was an atmospheric river (AR)-driven rain-on-snow (RoS) event and remains the costliest in their history. The joint occurrence of saturated soils, rainfall, and snowmelt generated inundation throughout northern California-Nevada. Although AR RoS events are projected to occur more frequently with climate change, the warming sensitivity of their flood drivers across scales remains understudied. We leverage the regionally refined mesh capabilities of the Energy Exascale Earth System Model (RRM-E3SM) to recreate the 1997 New Year’s flood with horizontal grid spacings of 3.5 km across California, with forecast lead times of up to 4 days, and across six warming levels ranging from pre-industrial conditions to +3.5° C. We describe the sensitivity of the flood drivers to warming including AR duration and intensity, precipitation phase, intensity and efficiency, snowpack mass and energy changes, and runoff efficiency. Our findings indicate current levels of climate change negligibly influence the flood drivers. At warming levels ≥ 1.7° C, AR hazard potential increases, snowpack nonlinearly decreases, antecedent soil moisture decreases (except where the snowline retreats), and runoff decreases (except in the southern Sierra Nevada where antecedent snowpack persists). Storm total precipitation increases, but at rates below warming-induced increases in saturation-specific humidity. Warming intensifies short-duration, high-intensity rainfall, particularly where snowfall-to-rainfall transitions occur. This study highlights the nonlinear tradeoffs in 21st-century RoS flood hazards with warming and provides water management and infrastructure investment adaptation considerations.

54 ENVIRONMENTAL SCIENCES↗

Evaluating the extent of cell death in 3D high frequency ultrasound by registration with whole-mount tumor histopathology

Purpose: High frequency ultrasound imaging, 10-30 MHz, has the capability to assess tumor response to radiotherapy in mouse tumors as early as 24 h after treatment administration. The advantage of this technique is that the image contrast is generated by changes in the physical properties of dying cells. Therefore, a subject can be imaged before and multiple times during the treatment without the requirement of injecting specialized contrast agents. This study is motivated by a need to provide metrics of comparison between the volume and localization of cell death, assessed from histology, with the volume and localization of cell death surrogate, assessed as regions with increased echogeneity from ultrasound images. Methods: The mice were exposed to radiation doses of 2, 4, and 8 Gy. Ultrasound images were collected from each tumor before and 24 h after exposure to radiation using a broadband 25 MHz center frequency transducer. After radiotherapy, tumors exhibited hyperechoic regions in ultrasound images that corresponded to areas of cell death in histology. The ultrasound and histological images were rigidly registered. The tumors and regions of cell death were manually outlined on histological images. Similarly, the tumors and hyperechoic regions were outlined on the ultrasound images. Each set of contours was converted to a volumetric mesh in order to compare the volumes and the localization of cell death in histological and ultrasound images. Results: A shrinkage factor of 17{+-}2% was calculated from the difference in the tumor volumes evaluated from histological and ultrasound images. This was used to correct the tumor and cell death volumes assessed from histology. After this correction, the average absolute difference between the volume of cell death assessed from ultrasound and histological images was 11{+-}14% and the volume overlap was 70{+-}12%. Conclusions: The method provided metrics of comparison between the volume of cell death assessed from histology and that assessed from ultrasound images. It was applied here to evaluate the capability of ultrasound imaging to assess early tumor response to radiotherapy in mouse tumors. Similarly, it can be applied in the future to evaluate the capability of ultrasound imaging to assess early tumor response to other modalities of cancer treatment. The study contributes to an understanding of the capabilities and limitation of ultrasound imaging at noninvasively detecting cell death. This provides a foundation for future developments regarding the use of ultrasound in preclinical and clinical applications to adapt treatments based on tumor response to cancer therapy.

60 APPLIED LIFE SCIENCES↗

Dynamic equation-based thermo-hydraulic pipe model for district heating and cooling systems

Simulation and optimisation of district heating and cooling networks requires efficient and realistic models of the individual network elements in order to correctly represent heat losses or gains, temperature propagation and pressure drops. Due to more recent thermal networks incorporating meshing decentralised heat and cold sources, the system often has to deal with variable temperatures and mass flow rates, with flow reversal occurring more frequently. This paper presents the mathematical derivation and software implementation in Modelica of a thermo-hydraulic model for thermal networks that meets the above requirements and compares it to both experimental data and a commonly used model. Good correspondence between experimental data from a controlled test set-up and simulations using the presented model was found. Compared to measurement data from a real district heating network, the simulation results led to a larger error than in the controlled test set-up, but the general trend is still approximated closely and the model yields results similar to a pipe model from the Modelica Standard Library. However, the presented model simulates 1.7 (for low number of volumes) to 68 (for highly discretized pipes) times faster than a conventional model for a realistic test case. A working implementation of the presented model is made openly available within the IBPSA Modelica Library. The model is robust in the sense that grid size and time step do not need to be adapted to the flow rate, as is the case in finite volume models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

CFD Parametric Study of Consortium Impeller

Current design of high performance turbopumps for rocket engines requires effective and robust analytical tools to provide design impact in a productive manner. The main goal of this study is to develop a robust and effective computational fluid dynamics (CFD) pump model for general turbopump design and analysis applications. A Finite Difference Navier-Stokes flow solver, FDNS, which includes the extended k-epsilon turbulence model and appropriate moving interface boundary conditions, was developed to analyze turbulent flows in turbomachinery devices. A second-order central difference scheme plus adaptive dissipation terms was employed in the FDNS code, along with a predictor plus multi-corrector pressure-based solution procedure. The multi-zone, multi-block capability allows the FDNS code to efficiently solve flow fields with complicated geometry. The FDNS code has been benchmarked by analyzing the pump consortium inducer, and it provided satisfactory results. In the present study, a CFD parametric study of the pump consortium impeller was conducted using the FDNS code. The pump consortium impeller, with partial blades, is a new design concept of the advanced rocket engines. The parametric study was to analyze the baseline design of the consortium impeller and its modification which utilizes TANDEM blades. In the present study, the TANDEM blade configuration of the consortium impeller considers cut full blades for about one quarter chord length from the leading edge and clocks the leading edge portion with an angle of 7.5 or 22.5 degrees. The purpose of the present study is to investigate the effect and trend of the TANDEM blade modification and provide the result as a design guideline. A 3-D flow analysis, with a 103 x 23 x 30 mesh grid system and with the inlet flow conditions measured by Rocketdyne, was performed for the baseline consortium impeller. The numerical result shows that the mass flow rate splits through various blade passages are relatively uniform. Due to the complexity of blade geometries, the TANDEM blade configurations were analyzed with the multi-zone grid structure. Both the 7.5 deg- and the 22.5 deg-clocking TANDEM blade cases utilized a 80K mesh system. The numerical result of two TANDEM blade modifications indicates the efficiency and the head are worse than those of the baseline case due to larger flow distortion. The gap between the TANDEM blade and the full blade allows the flow passes through and heavily loads the pressure side of the partial blade such that flow reversal occurs near the suction side of the splitter. The flow split at the exit of impeller blades is very non-uniform for TANDEM blade cases, and this will greatly induce the side load on the diffuser. Therefore, the TANDEM blade modification in the present CFD analysis does not improve the performance of the consortium impeller.

Cheng, Gary C.↗