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At least 541 records · Page 30

Simulating Catalysis with Realistic Pellet Geometries Using Mesoflow: A Case Study of Catalytic Propane Dehydrogenation

We present a case study of catalytic propane dehydrogenation with our open-source multiphysics solver, Mesoflow. The solver was developed to simulate reactive flow coupled to heterogeneous catalytic reactions and deactivation in the context of complex, mesoscale geometry. The method leverages cartesian block-structured adaptive mesh refinement to capture realistic catalyst microstructural features acquired directly from X-ray computed tomography data. A kinetic model for propane dehydrogenation and catalyst deactivation was developed based on temporal analysis of products (TAP) reactor experiments. The TAP reactor experiments allow for precise characterization of intrinsic kinetic reaction steps which are implemented into Mesoflow simulations to model the spatial and temporal evolution of reactants, products, and catalyst active sites. The short-term and long-term deactivation behavior is studied by using XCT data collected from fresh and aged catalyst pellets, which exhibit different microstructural features. This study employs time-splitting algorithms to connect disparate reaction and flow timescales, enabling the simulations to achieve realistic deactivation timescales on the order of minutes while the flow time-scales for small particles (100 microns) are several milliseconds. We also introduce a flexible automated python script that writes the necessary files to construct a Mesoflow simulation from user-created chemical mechanisms. We will also introduce a few new features that are added to Mesoflow such as higher order schemes, implicit chemistry integrators and the ability to run on AMD and NVIDIA graphics-processing-units.

AMReX↗

Simulation of the RPI Reactor Critical Facility Core Using High-Fidelity Neutronics Code PROTEUS

The PROTEUS code is a high-fidelity three-dimensional (3D) deterministic neutron transport code developed by ANL under the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. The code contains the SN2ND (second order discrete ordinates method) and two MOC transport solvers, MOCFE and MOCEX (first order methods of characteristics), based on unstructured finite element meshes which allow users to model complex or unconventional geometry reactor problems. Among the two MOC solvers which normally perform better than SN for heterogeneous geometry problems, MOCEX is based on a rigorous formulation using the two-dimensional (2D) MOC radially and the discontinuous Galerkin finite element method axially to overcome the drawbacks of MOCFE with the full 3D MOC representation which requires enormous memory and computational efforts. The Reactor Critical Facility (RCF), an open tank research reactor at the Rensselaer Polytechnic Institute (RPI), became operational in 1956 under the American Locomotive company and has been operating using low-enriched uranium fuel pins, which makes it the only university research facility to use fuel rods similar to operating commercial light water reactors (LWRs). This paper presents modeling and simulation results of the RCF using PROTEUS for code verification and validation which also supports an ongoing NEUP project in which a set of benchmark validation experiments for multiphysics coupling is being developed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Handbook on Face Gear Drives with a Spur Involute Pinion

The use of face gears in power transmission and drive systems has a significant number of benefits. Face gears allow a variety of new transmission arrangements as well as high reduction ratio capability. This leads to drive system weight reduction and improvements in performance. In this work, basic information about the design and analysis of face gear drives is presented. The work considers face gears in mesh with spur involute pinions for both intersecting axes and offset drives. Tooth geometry, kinematics, generation of face gears with localized bearing contact by cutting and grinding, avoidance of tooth undercutting, avoidance of tooth pointing, tooth contact analysis, and algorithms for the simulation of meshing and contact arc all topics which are discussed. In addition, applications of face gear drives are presented. Included are design uses in aerospace applications such as helicopter transmissions, split-torque face gear arrangements, comparisons of face gears with bevel gears, and general design considerations.

Litvin, F. L.↗

Measurement of Void Fraction Distribution in Steam-Water Two-Phase Flow in a 44 Bundle at 2 MPa

To contribute to the clarification of the Fukushima Daiichi Accident, JAEA is working on getting instantaneous void fraction distribution data in steam-water two-phase flow in rod bundle geometry under high pressure, high temperature condition, with using Wire Mesh Sensor (WMS) developed at JAEA for high pressure, high temperature condition (Up to 2.8 MPa, 230 deg. C), focusing on the low flow rate condition after the reactor scram. The data is expected to be used in the validation of the detailed two-phase flow codes TPFIT and ACE3D developed at JAEA. The time and space averaged void fraction data is also expected being used in the validation of the drift-flux models implemented in the two fluids codes, such as TRACE code. We are still in the middle of the data analyses and here we only report a part of the results. For the present bundle rod geometry, the void fraction shows easily gathered at the center area surrounded by 4 rods and the void fraction in the sub - channels between two adjacent rods are low. Under the same steam vapor flow rate condition, void faction increase with the decrease of the water flow rate. Under the same water flow rate, the void fraction increases with the increase of the steam vapor flow rate. In recent future, we will perform more experiments under further low water flow rate condition, including stagnation condition, to confirm this changing tendency. In the present experimental range, no effect of pressure on void fraction was observed. A 3-layer WMS, with a vertical distance between the adjacent layers of 1.3 mm, was used to measure the local instantaneous void fraction in this research. By using the correlation coefficient method, we can determine the time delay between the bubble detections from the upper and the lower layer sensors. Then the speed of the bubble, and its length, can be calculated. We are working on the establishment of the databank for the slug-churn bubbles information. (authors)

42 ENGINEERING↗

A priori mesh quality metrics for three-dimensional hybrid grids

Use of general hybrid grids to attain complex-geometry field simulations poses a challenge on estimation of their quality. Apart from the typical problems of non-uniformity and non-orthogonality, the change in element topology is an extra issue to address. The present work derives and evaluates an a priori mesh quality indicator for structured, unstructured, as well as hybrid grids consisting of hexahedra, prisms, tetrahedra, and pyramids. Emphasis is placed on deriving a direct relation between the quality measure and mesh distortion. The work is based on use of the Finite Volume discretization for evaluation of first order spatial derivatives. The analytic form of the truncation error is derived and applied to elementary types of mesh distortion including typical hybrid grid interfaces. The corresponding analytic expressions provide relations between the truncation error and the degree of stretching, skewness, shearing, torsion, expansion, as well as the type of grid interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

FORTRAN program for generating a two-dimensional orthogonal mesh between two arbitrary boundaries

A FORTRAN 4 program is presented which computes and plots coordinates for a two-dimensional orthogonal mesh in the region between the walls of a flow channel. The program is designed for a channel containing a body about which flow passes and which spans the channel from one wall to the other. However, the condition that the channel contain an immersed body can be easily removed from the program. Input to the program consists of spline points of the channel walls and the body geometry. Output includes printed and plotted coordinates of the generated orthogonal mesh and angles of the mesh with the horizontal plane.

Mcnally, W. D.↗

Towards improved mesh-designing techniques of spark-ignition engines in the framework of spectral element methods

In the current paper we present an advanced meshing technique to perform high-fidelity numerical simulations in spark ignition (SI) engines. The design of the mesh is critical towards generating physically consistent, high fidelity data especially in regions of complex boundaries inside the cylinder, e.g., near the spark plugs. This is primarily due to the mesh deformation caused by the motion of the valve near the plug and also finer mesh sizes in the spark plug region. In the current work, we demonstrate the use of an overlapping grid (overset) methodology to design the mesh in the spark-plug region in a 2D SI engine-like geometry for a high-order simulation, based on the spectral element method (SEM). The data in the overlapping region is exchanged between the spark-plug geometry and the geometry containing rest of the objects like the piston, cylinder head, valve etc., using a high order spectral interpolation technique. The numerical simulations have been further compared against the standard, single (non-overset) grid, meshing technique for the whole 2D domain. The results further illustrate the capability of overlapping grid methodology in handling mesh deformation compared to the standard grid case and also the ability to capture the flow dynamics with a similar level of fidelity as the standard one

overlapping grids↗

Modeling Geometry and Progressive Failure of Material Interfaces in Plain Weave Composites

A procedure combining a geometrically nonlinear, explicit-dynamics contact analysis, computer aided design techniques, and elasticity-based mesh adjustment is proposed to efficiently generate realistic finite element models for meso-mechanical analysis of progressive failure in textile composites. In the procedure, the geometry of fiber tows is obtained by imposing a fictitious expansion on the tows. Meshes resulting from the procedure are conformal with the computed tow-tow and tow-matrix interfaces but are incongruent at the interfaces. The mesh interfaces are treated as cohesive contact surfaces not only to resolve the incongruence but also to simulate progressive failure. The method is employed to simulate debonding at the material interfaces in a ceramic-matrix plain weave composite with matrix porosity and in a polymeric matrix plain weave composite without matrix porosity, both subject to uniaxial cyclic loading. The numerical results indicate progression of the interfacial damage during every loading and reverse loading event in a constant strain amplitude cyclic process. However, the composites show different patterns of damage advancement.

Hsu, Su-Yuen↗

An Overset Grid Motion Driver for Resolving Entry Vehicle CFD Simulations with Large Changes in Wake Orientation

Time-accurate computational fluid dynamics (CFD) simulations using overset meshes can enable reduced computational cost compared to a rigid, monolithic mesh for blunt-body atmospheric entry vehicles. If the vehicle has a significant change in attitude, the high-density region of the overset mesh designed for resolving the subsonic wake can be kept in position as the wake orientation changes relative to the body. Current simulations generally keep the wake mesh fixed in attitude while the body rotates, assuming the wake orientation remains relatively constant. However, changes in the relative velocity over a long-duration simulation or effects of the body geometry can invalidate this assumption. This work presents a method for calculating the desired mesh orientation to resolve a blunt body wake using the atmosphere-relative velocity of the vehicle. A motion driver using these calculations is implemented in a CFD-in-the-loop flight model bridging the FUN3D flow solver and POST2 trajectory propagator. Overset meshing is performed using the Yoga extension for FUN3D. Results are presented for simulations with both overset and monolithic meshes under large changes in relative velocity (and therefore wake orientation). The results demonstrate that the motion driver successfully orients an overset wake mesh to capture the subsonic wake with sufficient resolution despite variable body rotation and body-relative freestream velocity.

CFD↗

An Overset Grid Motion Driver for Resolving Entry Vehicle CFD Simulations with Large Changes in Wake Orientation

Time-accurate computational fluid dynamics (CFD) simulations using overset meshes can enable reduced computational cost compared to a rigid, monolithic mesh for blunt-body atmospheric entry vehicles. If the vehicle has a significant change in attitude, the high-density region of the overset mesh designed for resolving the subsonic wake can be kept in position as the wake orientation changes relative to the body. Current simulations generally keep the wake mesh fixed in attitude while the body rotates, assuming the wake orientation remains relatively constant. However, changes in the relative velocity over a long-duration simulation or effects of the body geometry can invalidate this assumption. This work presents a method for calculating the desired mesh orientation to resolve a blunt body wake using the atmosphere-relative velocity of the vehicle. A motion driver using these calculations is implemented in a CFD-in-the-loop flight model bridging the FUN3D flow solver and POST2 trajectory propagator. Overset meshing is performed using the Yoga extension for FUN3D. Results are presented for simulations with both overset and monolithic meshes under large changes in relative velocity (and therefore wake orientation). The results demonstrate that the motion driver successfully orients an overset wake mesh to capture the subsonic wake with sufficient resolution despite variable body rotation and body-relative freestream velocity.

Computational Fluid Dynamics↗

Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems. Task 4: Advanced fan section aerodynamic analysis computer program user's manual

The computer program user's manual for the ADPACAPES (Advanced Ducted Propfan Analysis Code-Average Passage Engine Simulation) program is included. The objective of the computer program is development of a three-dimensional Euler/Navier-Stokes flow analysis for fan section/engine geometries containing multiple blade rows and multiple spanwise flow splitters. An existing procedure developed by Dr. J. J. Adamczyk and associates at the NASA Lewis Research Center was modified to accept multiple spanwise splitter geometries and simulate engine core conditions. The numerical solution is based upon a finite volume technique with a four stage Runge-Kutta time marching procedure. Multiple blade row solutions are based upon the average-passage system of equations. The numerical solutions are performed on an H-type grid system, with meshes meeting the requirement of maintaining a common axisymmetric mesh for each blade row grid. The analysis was run on several geometry configurations ranging from one to five blade rows and from one to four radial flow splitters. The efficiency of the solution procedure was shown to be the same as the original analysis.

Crook, Andrew J.↗

Verification of the 2D Finite Element SP3 Solutions

Method(FEM) is the free geometry handling. However many of the geometries of the nuclear engineering problems are not unstructured but rather structured, such as a hexahedral, or triangular prism. Thus, the need for the use of FEM has less portion in nuclear engineering. However it is also certain that it is very hard to exclude the possibility for use of an unstructured geometry such as a PBMR core problem, fusion blanket analysis of the source problem, another design issue with an unstructured geometry. In addition, research regarding the acceleration scheme such as Coarse Mesh Finite Difference (CMFD) showed up in nuclear engineering in recent years. By considering these facts, the FEM cannot be totally exclusive. To utilize the FEM for nuclear engineering problems, several types of assistance are needed. The first is parallelization because of its slow calculation speed. The second is an acceleration scheme. With these two types of assistance the FEM can be utilized freely in the nuclear engineering field. In this research, before conducting parallelization and acceleration, the final verification for the implementation of the up-scattering treatment with an arbitrary geometry conducted through a comparison with the McCARD solution through the well-known C5G7 2D benchmark problem. Note that the earlier work for verification of the FEM for the multi-group problem without up-scattering and with a structured geometry including a mathematical formulation has already been done. The main points that will be tested here are as follows. The first is a check of the right implementation for the multi-group problem with an up-scattering cross section from the perspectives of the multiplication factor and power. The second is the transport effect for this problem by comparing the solutions from P{sub 1} and Simplified P{sub 3}(SP{sub 3}). The third is the effectiveness of the higher order basis function for the same number of unknowns. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Accelerating Large Data Analysis By Exploiting Regularities

We present techniques for discovering and exploiting regularity in large curvilinear data sets. The data can be based on a single mesh or a mesh composed of multiple submeshes (also known as zones). Multi-zone data are typical to Computational Fluid Dynamics (CFD) simulations. Regularities include axis-aligned rectilinear and cylindrical meshes as well as cases where one zone is equivalent to a rigid-body transformation of another. Our algorithms can also discover rigid-body motion of meshes in time-series data. Next, we describe a data model where we can utilize the results from the discovery process in order to accelerate large data visualizations. Where possible, we replace general curvilinear zones with rectilinear or cylindrical zones. In rigid-body motion cases we replace a time-series of meshes with a transformed mesh object where a reference mesh is dynamically transformed based on a given time value in order to satisfy geometry requests, on demand. The data model enables us to make these substitutions and dynamic transformations transparently with respect to the visualization algorithms. We present results with large data sets where we combine our mesh replacement and transformation techniques with out-of-core paging in order to achieve significant speed-ups in analysis.

Moran, Patrick J.↗

Parallel anisotropic mesh adaptation with boundary layers for automated viscous flow simulations

This paper presents a set of parallel procedures for anisotropic mesh adaptation accounting for mixed element types used in boundary layer meshes, i.e., the current procedures operate in parallel on distributed boundary layer meshes. The procedures accept anisotropic mesh metric field as an input for the desired mesh size field and apply local mesh modifications to adapt the mesh to match/satisfy the specified mesh size field. The procedures fully account for the parametric geometry of curved domains and maintain the semi-structured nature of the boundary layer elements. The effectiveness of the procedures is demonstrated on three viscous flow examples that include the ONERA M6 wing, a heat transfer manifold, and a scramjet engine.

Sahni, Onkar↗

Spectral Mesh-Free Quadrature for Planar Regions Bounded by Rational Parametric Curves

This article presents spectral, mesh-free, Green’s theorem-based numerical quadrature schemes for integrating functions over planar regions bounded by rational parametric curves. Our algorithm proceeds in two steps: (1) We first find intermediate quadrature rules for line integrals along the region’s boundary curves corresponding to Green’s theorem. (2) We then use a high-order quadrature rule to compute the numerical antiderivative of the integrand along a coordinate axis, which is used to evaluate the Green’s theorem line integral. We present two methods to compute the intermediate quadrature rule. The first is spectrally accurate (it converges faster than any algebraic order with respect to number of quadrature points) and is relatively easy to implement, but has no guarantee of polynomial exactness. The second guarantees exactness for polynomial integrands up to a pre-specified degree with an a priori-known number of quadrature points and retains the convergence properties of the first, but is slightly more complicated. The quadrature schemes have applications to computation of geometric moments, immersogeometric analysis, conservative field transfer between high-order meshes, and initialization of multi-material simulations with rational geometry. We compare the quadrature schemes produced using our method to other methods in the literature and show that they are much more efficient both in terms of number of quadrature points and computational time. We provide an open-source implementation of the algorithm in MATLAB.

97 MATHEMATICS AND COMPUTING↗

A momentum source model for wire-wrapped rod bundles—Concept, validation, and application

Large uncertainties still exist in the treatment of wire-spacers and drag models for momentum transfer in current lumped parameter models. Here, to improve the hydraulic modeling of wire-wrap spacers in a rod bundle, a three-dimensional momentum source model (MSM) has been developed to model the anisotropic flow without the need to resolve the geometric details of the wire-wraps. The MSM is examined for 7-pin and 37-pin bundles steady-state simulations using the commercial CFD code STAR-CCM+. The calculated steady-state inter-subchannel cross flow velocities match very well in comparisons between bare bundles with the MSM applied and the wire-wrapped bundles with explicit geometry. The validity of the model is further verified by mesh and parameter sensitivity studies. Furthermore, the MSM is applied to a 61-pin EBR-II experimental subassembly for both steady state and PLOF transient simulations. Reasonably accurate predictions of temperature, pressure, and fluid flow velocities have been achieved using the MSM for both steady-state and transient conditions. Significant computing resources are saved with the MSM since it can be used on a much coarser computational mesh.

42 ENGINEERING↗

SU-D-BRF-06: A Brachytherapy Simulator with Realistic Haptic Force Feedback and Real-Time Ultrasounds Image Simulation for Training and Teaching

Purpose: Surgical procedures require dexterity, expertise and repetition to reach optimal patient outcomes. However, efficient training opportunities are usually limited. This work presents a simulator system with realistic haptic force-feedback and full, real-time ultrasounds image simulation. Methods: The simulator is composed of a custom-made Linear-DELTA force-feedback robotic platform. The needle tip is mounted on a force gauge at the end effector of the robot, which responds to needle insertion by providing reaction forces. 3D geometry of the tissue is using a tetrahedral finite element mesh (FEM) mimicking tissue properties. As the needle is inserted/retracted, tissue deformation is computed using a mass-tensor nonlinear visco-elastic FEM. The real-time deformation is fed to the L-DELTA to take into account the force imparted to the needle, providing feedback to the end-user when crossing tissue boundaries or needle bending. Real-time 2D US image is also generated synchronously showing anatomy, needle insertion and tissue deformation. The simulator is running on an Intel I7 6- core CPU at 3.26 MHz. 3D tissue rendering and ultrasound display are performed on a Windows 7 computer; the FEM computation and L-DELTA control are executed on a similar PC using the Neutrino real-time OS. Both machines communicate through an Ethernet link. Results: The system runs at 500 Hz for a 8333-tetrahedron tissue mesh and a 100-node angular spring needle model. This frame rate ensures a relatively smooth displacement of the needle when pushed or retracted (±20 N in all directions at speeds of up to 2 m/s). Unlike commercially-available haptic platforms, the oblong workspace of the L-DELTA robot complies with that required for brachytherapy needle displacements of 0.1m by 0.1m by 0.25m. Conclusion: We have demonstrated a real-life, realistic brachytherapy simulator developed for prostate implants (LDR/HDR). The platform could be adapted to other sites or training for other types of needle-based procedures.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

EMAPS: An Efficient Multiscale Approach to Plasma Systems with Non-MHD Scale Effects

Global interactions of energetic ions with magnetoplasmas and neutral gases lie at the core of many space and laboratory plasma phenomena ranging from solar wind entry into and transport within planetary magnetospheres and exospheres to fast-ion driven instabilities in fusion devices to astrophysics-in-lab experiments. The ability of computational models to properly account for physical effects that underlie such interactions, namely ion kinetic, ion cyclotron, Hall, collisional and ionization processes is important for the success and planning of experimental research in plasma physics. Understanding the physics of energetic ions, in particular their nonlinear resonance interactions with Alfvén waves, is central to improving the heating performance of magnetically confined plasmas for future energy generation. Fluid models are not adequate for high-beta plasmas as they cannot fully capture ion kinetic and cyclotron physics (e.g., ion behavior in the presence of magnetic nulls, shock structures, plasma interpenetration, etc.). Recent results from global reconnection simulations show that even in a MHD-like regime there may be significant differences between kinetic and MHD simulations. Therefore, kinetic modeling becomes essential for meeting modern day challenges in plasma physics. The hybrid approximation is an intermediate approximation between the fluid and fully kinetic approximations. It eliminates light waves, removes the electron inertial temporal and spatial scales from the problem and enables full-orbit ion kinetics. As a result, hybrid codes have become effective tools for exploring ion-scale driven phenomena associated with ion beams, shocks, reconnection and turbulence that control the large-scale behavior of laboratory and space magnetoplasmas. A number of numerical issues, however, make three-dimensional (3D) large-scale hybrid simulations of inhomogeneous magnetized plasmas prohibitively expensive or even impossible. To resolve these difficulties we have developed a novel Event-driven Multiscale Asynchronous Parallel Simulation (EMAPS) technology that replaces time stepping with self-adaptive update events. Local calculations are carried out only on an “as needed basis”. EMAPS (i) guarantees accurate and stable processing of physical variables in time accurate simulations, and (ii) eliminates unnecessary computation. Applying EMAPS to the hybrid model has resulted in the development of a unique parallel code, dimension-independent (compile-time-configurable) HYPERS (Hybrid Parallel Event-Resolved Simulator) that scales to hundreds of thousands of parallel processors. HYPERS advances electromagnetic fields and particles asynchronously on time scales determined by local physical laws and mesh properties. To achieve high computational accuracy in complex device geometries, HYPERS employs high-fidelity Cartesian grids with masked conductive cells. The HYPERS model includes multiple ion species, energy and momentum conserving ion-ion collisions, and provides a number of approximations for plasma resistivity and vacuum regions. Both local and periodic boundary conditions are allowed. The HYPERS solver preserves zero divergence of magnetic field. The project has demonstrated HYPERS capabilities on a number of applications of interest to fusion and astrophysical plasma physics applications listed below. 1. Theta-pinch formation of FRCs The formation, spontaneous spin-up, and stability of theta-pinch formed field-reversed configurations have been studied self-consistently in 3D. The end-to-end hybrid simulations reveal poloidal profiles of implosion-driven fast toroidal plasma rotation and demonstrate three discharge regimes as a function of experimental parameters: the decaying stable configuration, the tilt unstable configuration, and the nonlinear evolution of a fast growing tearing mode. 2. FRC collisions with magnetic mirrors Interactions of fast plasma streams and objects with magnetic obstacles (dipoles, mirrors, etc) lie at the core of many space and laboratory plasma phenomena ranging from magnetoshells and solar wind interactions with planetary magnetospheres to compact fusion plasmas. HYPERS simulations are compared with data from the MSX experiment (LANL) that focuses on the physics of magnetized collisionless shocks through the acceleration and subsequent stagnation of FRC plasmoids against a strong magnetic mirrors and flux-conserving boundaries. 3. Exploding magnetoplasmas Results from hybrid simulations of two experiments at the LAPD and Nevada Terawatt Facility are discussed where short-pulse lasers are used to ablate solid targets to produce plasmas that expand across external magnetic fields. The first simulation recreates flutelike density striations observed at the leading edge of a carbon plasma and predicts an early destruction of the magnetic cavity in agreement with experimental evidence. In the second simulation a polyethylene target is ablated into a mixture of protons and carbon ions. A mechanism is demonstrated that allows protons to penetrate the magnetic field in the form of a collimated flow. The results are compared to experimental data and single-fluid MHD simulations. The EMAPS framework has the potential for wide application in many other engineering and scientific fields, such as climate models, biological systems, electronic devices, seismic events, oil reservation simulators that all involve advancing solutions of partial differential equations in time where the rate of activity can be adapted widely over the spatial domain depending on locally space/time phenomena (“events”).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗