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At least 739 records · Page 41

All sources NASA NTRS DOE OSTI

DOE OSTI2019

MULTIDIMENSIONAL NUMERICAL SIMULATIONS OF REACTING FLOW IN A NON-PREMIXED ROTATING DETONATION ENGINE

Over the last two decades, detonation based propulsion has received a great deal of attention as a potential means to achieve significant improvement in the performance of air-breathing and rocket engines. Detonative combustion mode is particularly interesting due to the resulting pressure gain from reactants to products, faster heat release, decreased entropy generation, more available work and higher thrust compared to conventional deflagrative combustion. Rotating detonation engine (RDE) is one such novel combustor concept. Realistic RDE configurations utilize separate fuel and air injection schemes, hence are not perfectly premixed. Moreover, RDE performance is governed by a large number of design parameters and operating conditions. In this context, computational fluid dynamics (CFD) has the potential to enhance the understanding of RDE combustion and aid future development/optimization of this technology. In the present work, a CFD model was developed to simulate a representative non-premixed RDE combustor. Unsteady Reynolds-Averaged Navier-Stokes (RANS) simulations were performed for the full combustor geometry (including the separate fuel and air injection ports), with hydrogen as fuel and air as the oxidizer. Adaptive mesh refinement (AMR) was incorporated to achieve a trade-off between model accuracy and computational expense. A finite-rate chemistry model along with a 10-species detailed kinetic mechanism was employed to describe the H2-Air combustion chemistry. Two operating conditions were simulated, corresponding to the same global equivalence ratio of unity but different fuel and air mass flow rates. For both conditions, the capability of the model to capture the essential detonation wave dynamics was assessed. A validation study was performed against experimental data available on detonation wave frequency/height, reactant fill height, oblique shock angle, axial pressure distribution in the channel, and fuel/air plenum pressure. The CFD model predicted the sensitivity of these wave characteristics to the operating conditions with good accuracy, both qualitatively and quantitatively. The present CFD model offers a potential capability to perform rapid design space exploration and/or performance optimization studies for realistic full-scale RDE configurations.

Pal, Pinaki↗

DOE OSTI2013

Effects of hydro mesh resolution on Detonation Shock Dynamics (DSD)

Detonation Shock Dynamics (DSD) is a programmed-burn scheme that calculates the propagation of the detonation front in the HE before a full hydro computation begins. DSD calculations are performed on a uniform Cartesian grid which is independent from the hydro mesh, and its burntime calculation algorithm is second-order accurate. However, its boundary condition application is first-order accurate with respect to the grid resolution. The geometry of the HE is represented by two fields in DSD — distance function (Ψ) and material ID (matID). The former is the distance from a given DSD grid point to the nearest HE boundary and the latter is the material identification at that grid point. Those two fields must be determined from the information supplied by the hydro code. Since the hydro mesh resolution is almost always dictated by analysis and computational requirements, DSD must adhere to this restriction. Even though the effects of body-fitted hydro resolution has been briefly documented previously, this report elaborates further and describes its ramifications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

An Adaptive Geometry-Free Thermo-Mechanical Model for Directed Energy Deposition Process Modeling

This presentation describes a novel, geometry-free thermo-mechanical model with adaptive subdomain con- struction to accurately predict the thermal conditions, distortions, and residual stresses throughout the directed energy deposition (DED) process. A novel finite element workflow is designed to con- duct the numerical analysis, based on the multi-app and data transfer capabilities in the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE). Unlike with traditional methods, the part geometry in this model is not predefined. Instead, it is a combined effect of the processing parameters and material properties. At each time step, the model utilizes a subdomain construction paradigm to model the material deposition. A specialized mesh adaptivity scheme is incorporated to provide an accurate prediction while reducing the overall computational cost. The results generated by the proposed model show general agreement with the experimental measurements for the single track scan with varying processing parameters and demonstrate reasonable predictions for higher material buildups.

36 MATERIALS SCIENCE↗

NASA NTRS2010

Automatic Mesh Generation of Hybrid Mesh on Valves in Multiple Positions in Feedline Systems

Fluid flow simulations through a valve often require evaluation of the valve in multiple opening positions. A mesh has to be generated for the valve for each position and compounding. The problem is the fact that the valve is typically part of a larger feedline system. In this paper, we propose to develop a system to create meshes for feedline systems with parametrically controlled valve openings. Herein we outline two approaches to generate the meshes for a valve in a feedline system at multiple positions. There are two issues that must be addressed. The first is the creation of the mesh on the valve for multiple positions. The second is the generation of the mesh for the total feedline system including the valve. For generation of the mesh on the valve, we will describe the use of topology matching and mesh generation parameter transfer. For generation of the total feedline system, we will describe two solutions that we have implemented. In both cases the valve is treated as a component in the feedline system. In the first method the geometry of the valve in the feedline system is replaced with a valve at a different opening position. Geometry is created to connect the valve to the feedline system. Then topology for the valve is created and the portion of the topology for the valve is topology matched to the standard valve in a different position. The mesh generation parameters are transferred and then the volume mesh for the whole feedline system is generated. The second method enables the user to generate the volume mesh on the valve in multiple open positions external to the feedline system, to insert it into the volume mesh of the feedline system, and to reduce the amount of computer time required for mesh generation because only two small volume meshes connecting the valve to the feedline mesh need to be updated.

Ross, Douglass H.↗

DOE OSTI2023

4. Geometry Data Storage

3D-printing begins with the design of an object using computer aided design (CAD) software. The geometry of the object must be exported and saved in a data file format that can be used in the slicing process to generate machine instructions for printing. The standard method of saving the data is to tessellate the object as a triangulated mesh stored as a .stl file. Due to the flat triangular faces used to store the data, this mesh is a low-resolution representation of the high-fidelity object designed in CAD. The STL has its limitations with respect to geometrical accuracy, material information, and instances of invalid mesh data, but can still be used for the 3D-printing process. New file variants, such as OBJ, AMF, and 3MF, are being developed to fix some of these issues and increase the capabilities of geometry data storage for 3D-printing.

Roschli, Alex↗

NASA NTRS1980

Effect of geometry and operating conditions on spur gear system power loss

The results of an analysis of the effects of spur gear size, pitch, width, and ratio on total mesh power loss for a wide range of speeds, torques, and oil viscosities are presented. The analysis uses simple algebraic expressions to determine gear sliding, rolling, and windage losses and also incorporates an approximate ball bearing power loss expression. The analysis shows good agreement with published data. Large diameter and fine pitched gears had higher peak efficiencies but low part load efficiency. Gear efficiencies were generally greater than 98 percent except at very low torque levels. Tare (no-load) losses are generally a significant percentage of the full load loss except at low speeds.

Anderson, N. E.↗

NASA NTRS1980

Effect of geometry and operating conditions on spur gear system power loss

The results of an analysis of the effects of spur gear size, pitch, width and ratio on total mesh power loss for a wide range of speeds, torques and oil viscosities are presented. The analysis uses simple algebraic expressions to determine gear sliding, rolling and windage losses and also incorporates an approximate ball bearing power loss expression. The analysis shows good agreement with published data. Large diameter and fine-pitched gears had higher peak efficiencies but lower part-load efficiency. Gear efficiencies were generally greater than 98 percent except at very low torque levels. Tare (no-load) losses are generally a significant percentage of the full-load loss except at low speeds.

Anderson, N. E.↗

NASA NTRS2017

Cause and Cure - Deterioration in Accuracy of CFD Simulations With Use of High-Aspect-Ratio Triangular Tetrahedral Grids

Traditionally high-aspect ratio triangular/tetrahedral meshes are avoided by CFD re-searchers in the vicinity of a solid wall, as it is known to reduce the accuracy of gradient computations in those regions and also cause numerical instability. Although for certain complex geometries, the use of high-aspect ratio triangular/tetrahedral elements in the vicinity of a solid wall can be replaced by quadrilateral/prismatic elements, ability to use triangular/tetrahedral elements in such regions without any degradation in accuracy can be beneficial from a mesh generation point of view. The benefits also carry over to numerical frameworks such as the space-time conservation element and solution element (CESE), where triangular/tetrahedral elements are the mandatory building blocks. With the requirement of the CESE method in mind, a rigorous mathematical framework that clearly identities the reason behind the difficulties in use of such high-aspect ratio triangular/tetrahedral elements is presented here. As will be shown, it turns out that the degree of accuracy deterioration of gradient computation involving a triangular element is hinged on the value of its shape factor Gamma def = sq sin Alpha1 + sq sin Alpha2 + sq sin Alpha3, where Alpha1; Alpha2 and Alpha3 are the internal angles of the element. In fact, it is shown that the degree of accuracy deterioration increases monotonically as the value of Gamma decreases monotonically from its maximal value 9/4 (attained by an equilateral triangle only) to a value much less than 1 (associated with a highly obtuse triangle). By taking advantage of the fact that a high-aspect ratio triangle is not necessarily highly obtuse, and in fact it can have a shape factor whose value is close to the maximal value 9/4, a potential solution to avoid accuracy deterioration of gradient computation associated with a high-aspect ratio triangular grid is given. Also a brief discussion on the extension of the current mathematical framework to the tetrahedral-grid case along with some of the practical results of this extension is also provided. Furthermore, through the use of numerical simulations of practical viscous problems involving high-Reynolds number flows, the effectiveness of the gradient evaluation procedures within the CESE framework (that have their basis on the analysis presented here) to produce accurate and stable results on such high-aspect ratio meshes is also showcased.

CESE Method↗

DOE OSTI2018

PolyMat: an efficient Matlab code for multi-material topology optimization

We introduce a Matlab implementation of topology optimization for compliance minimization on unstructured polygonal finite element meshes that efficiently accommodates many materials and many volume constraints. Leveraging the modular structure of the educational code, PolyTop, we extend it to the multi-material version, PolyMat, with only a few modifications. First, a design variable for each candidate material is defined in each finite element. Next, we couple a Discrete Material Optimization interpolation with the existing penalization and introduce a new parameter such that we can employ continuation and smoothly transition from a convex problem without any penalization to a non-convex problem in which material mixing and intermediate densities are penalized. Mixing that remains due to the density filter operation is eliminated via continuation on the filter radius. To accommodate flexibility in the volume constraint definition, the constraint function is modified to compute multiple volume constraints and the design variable update is modified in accordance with the Zhang-Paulino-Ramos Jr. (ZPR) update scheme, which updates the design variables associated with each constraint independently. The formulation allows for volume constraints controlling any subset of the design variables, i.e., they can be defined globally or locally for any subset of the candidate materials. Borrowing ideas for mesh generation on complex domains from PolyMesher, we conclude which design variables are associated with each local constraint of arbitrary geometry. A number of examples are presented to demonstrate the many material capability, the flexibility of the volume constraint definition, the ease with which we can accommodate passive regions, and how we may use local constraints to break symmetries or achieve graded geometries.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Modeling Electrodeposition in 3D Porous Architectures for Solid-State Li-Metal Batteries

Li-metal storage in three-dimensional (3D) electrodes is considered a potential dendrite-mitigation strategy. The large surface area and high porosity of these electrodes result in reduced local Li-plating current densities. The porous topology provides a scaffold for Li-deposition and stripping, maintaining both mechanical integrity and Li accessibility. The goal of this study is to understand how characteristics, such as geometry and material properties, affect the current distribution and deposition pattern. To this end, we developed a computational method to track material growth driven by electrodeposition within a complex geometry. This method ensures that the finite-element discretization remains conforming to the moving boundary while preserving an adequate mesh quality, and thus maintains solution accuracy. Using this new computational tool, we analyze the conditions under which porous anode architectures effectively expand the surface area of the charge-transfer interface, and self-regulate current density and dendrite growth.

3D electrode architectures↗

DOE OSTI2019

Numerical Modeling of Supersonic Combustion in a Non- Premixed Rotating Detonation Engine

A computational fluid dynamics (CFD) model was developed to simulate a representative non-premixed RDE combustor. Unsteady Reynolds-Averaged Navier-Stokes (RANS) simulations were performed for the full combustor geometry (including the separate fuel and air injection ports), with hydrogen as the fuel and air as the oxidizer. Adaptive mesh refinement (AMR) was incorporated to achieve a good trade-off between model accuracy and computational expense. A finite-rate chemistry model was employed along with a 10-species detailed kinetic mechanism to describe the H2-Air combustion chemistry. Two different operating conditions were simulated, corresponding to the same global equivalence ratio of unity but different fuel and air mass flow rates. Numerical results were compared against available experimental data on detonation wave frequency/height, reactant fill height, oblique shock angle and axial pressure distribution in the channel. The CFD model predicted the sensitivity of these wave characteristics to operating conditions with good accuracy, both qualitatively and quantitatively. The present CFD model offers a potential capability to perform rapid design space exploration and/or performance optimization studies for realistic full-scale RDE configurations.

Pal, Pinaki↗

DOE OSTI2026

Enabling the Broader Use of MOOSE for Nuclear Energy and Other Simulation

This Final Scientific and Technical Report summarizes work performed under the Phase IIA SBIR project “Enabling the Broader Use of MOOSE for Nuclear Energy and Other Simulation” (DE-SC0020906) from August 2023 through August 2025. The objective of the Phase IIA effort was to mature and harden capabilities developed during Phase II, with the goal of enabling practical interoperability between Coreform’s isogeometric analysis (IGA) technologies and the Multiphysics Object-Oriented Simulation Environment (MOOSE), while improving robustness, performance, and scalability for complex, nuclear-relevant geometries. Over the course of Phase IIA, the project established and validated an extraction-based interoperability pathway between Coreform tools and MOOSE. A combined mesh and matrix format was defined collaboratively with MOOSE developers and integrated into the solver, enabling standard MOOSE workflows to operate on data exported from Coreform’s IGA and Flex Representation Method (FRM) pipelines. Early demonstrations validated architectural compatibility using linear solid mechanics problems, while later efforts focused on benchmark testing and external use. By the end of the project period, engineers at BWXT were able to independently set up and execute a simulation using the Coreform–MOOSE workflow and provide direct feedback that informed further refinement. In parallel, substantial effort was devoted to improving the robustness of trimmed U-spline construction for complex CAD geometries. A growing test suite of nuclear-relevant models was compiled through collaboration with multiple stakeholders and used to drive extensive bug fixing and reliability improvements. These efforts resulted in improved robustness and performance, including the addition of fallback capabilities that enhance reliability when the underlying commercial CAD kernel fails. Performance-oriented work progressed later in the project, with the development and demonstration of methods to decompose complex geometries into structured subregions and updated data representations to support more efficient solver processing. Additionally, extensive enhancements to threadsafe parallel data structures and trimming operations established a foundation for scalable processing of large assemblies. Collaboration with Sandia National Laboratories on the SGM geometric modeling kernel advanced to a functioning interface test case, positioning the workflow for future kernel integration. Overall, the Phase IIA effort successfully transitioned the project from architectural proof-of-concept to externally exercised, solver-integrated capability, while clarifying remaining technical challenges related to standardization, performance optimization, and kernel integration.

42 ENGINEERING↗

DOE OSTI2019

l3d2vtk: An MCNPTools Utility to Enable LNK3DNT File Visualization & Post-Processing

This paper describes recent work to develop and incorporate a utility program into the MCNPTools package that enables LNK3DNT file visualization & post-processing. A LNK3DNT file is a binary Cartesian, cylindrical, or spherical structured mesh file that describes material and material relative density distributions by mesh voxel. This mesh file format is principally used by the PARTISN discrete-ordinates radiation-transport code. However, the MCNP ® Monte Carlo radiation-transport code can use LNK3DNT files to specify geometry, and the MCNP code can produce LNK3DNT files representing a user-defined region of the MCNP constructive solid geometry (CSG). Because of the use of LNK3DNT files as MCNP input and output and with other computer codes, improving the ability to visualize and/or quantitatively post-process LNK3DNT files benefits end users. In particular, it is helpful to visually verify that the material and density distributions are as expected. Also, an analyst can orient viewers with respect to other in formation, e.g., by co-plotting a voxelized representation of MCNP CSG with mesh tally and/or particle track results. However, until now, the only capability to interactively interrogate LNK3DNT files is through a 2-D slice plotter provided by the Monte Carlo Application ToolKit (MCATK), which is not currently distributed outside of Los Alamos National Laboratory. The utility created as part of this work converts LNK3DNT binary files to an ASCII XML-based StructuredMesh VTK (.vts) file. The geometries supported are 1-D spherical and cylindrical ( r ), 1-D Cartesian ( x ), 2-D cylindrical ( r-z and r-θ ) and Cartesian ( x-y ), and 3-D cylindrical ( r-z-θ ) and Cartesian ( x-y-z ). This file format is chosen to minimize external dependencies (e.g., on an HDF5 library) and to provide a file that can be interrogated by the user in a text editor or standard visualization applications (e.g., ParaView or VisIt). However, other file formats may provide more utility such as XDMF, which can use HDF5 and is discussed further as something to explore as future work. This paper is organized as follows: a brief introduc tion to the MCNPTools library and utility programs is given, the LNK3DNT-to-VTK (l3d2vtk) utility functionality is de scribed, and then an example post-processing workflow using the ParaView application is given.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Mesoflow: An Open-Source Reacting Flow Solver for Catalysis at Mesoscale

We present the capabilities and software performance metrics of our open-source continuum solver for catalysis, Mesoflow, developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex catalyst surface morphologies directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous catalyst interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPUs) compared to a single processor for representative problem sizes (2 million cell mesh). We will also present a brief introduction on how to build and use this software for application problems pertaining to catalytic upgrading and gas transport within porous catalyst particles.

adaptive meshing↗

DOE OSTI2017

Implementation of CMFD Acceleration Scheme in PROTEUS-MOC

The PROTEUS-MOC code is a three-dimensional (3D) transport code, which is being developed at Argonne National Laboratory under the DOE-NE's Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. It provides a fully consistent 3D discretization of the transport equation by combining the two-dimensional (2D) method of characteristics (MOC) for the planar direction with the discontinuous Galerkin method for the treatment of the axial variable. PROTEUS-MOC uses the unstructured finite element method (FEM) and thus allows the explicit representation of any extruded geometries. It also has a capability of massively parallel computation in energy group, angle, plane, and space using a top-level GMRES linear algebra solver. For parallel computation in space, it uses an unstructured domain decomposition by adapting METIS. The computational burden for direct heterogeneous core calculations based on unstructured geometries is excessive for practical reactor problems, and hence it is essential to implement an efficient acceleration scheme in PROTEUS-MOC. Recently, the coarse mesh finite difference (CMFD) method, which was originally applied to the nodal diffusion methods, has been successfully applied to the MOC transport solvers, resulting in a remarkable reduction in the number of fission source iterations. In addition, a modified CMFD method has been developed to overcome the limitation of the conventional CMFD that is applicable only to neutronics solvers with a conservative discretization. This CMFD method was derived to be consistent with the FEM, which is based on a nonconservative discretization. In this method, the neutron balance in each coarse mesh is enforced by introducing a pseudo absorption cross section (PAXS), and the well-established alternating solution process of CMFD and transport calculations is employed to accelerate source convergence. This modified CMFD acceleration scheme was adopted in PROTEUS-MOC to accelerate the fission source iteration. Pin-cell and assembly based CMFD schemes have been implemented by defining individual pin cells or assemblies as a coarse mesh. For this, an algorithm to map the finite elements to coarse meshes was developed, and the routines were developed to determine the coupling coefficients and PAXS of the CMFD equations from the transport solution. Preliminary performance tests were carried out using the C5G7 benchmark problem. This paper presents the main features of this CMFD acceleration scheme and the preliminary test results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2015

Aerodynamic Shape Optimization of a Dual-Stream Supersonic Plug Nozzle

Aerodynamic shape optimization was performed on an isolated axisymmetric plug nozzle sized for a supersonic business jet. The dual-stream concept was tailored to attenuate nearfield pressure disturbances without compromising nozzle performance. Adjoint-based anisotropic mesh refinement was applied to resolve nearfield compression and expansion features in the baseline viscous grid. Deformed versions of the adapted grid were used for subsequent adjoint-driven shape optimization. For design, a nonlinear gradient-based optimizer was coupled to the discrete adjoint formulation of the Reynolds-averaged Navier- Stokes equations. All nozzle surfaces were parameterized using 3rd order B-spline interpolants and perturbed axisymmetrically via free-form deformation. Geometry deformations were performed using 20 design variables shared between the outer cowl, shroud and centerbody nozzle surfaces. Interior volume grid deformation during design was accomplished using linear elastic mesh morphing. The nozzle optimization was performed at a design cruise speed of Mach 1.6, assuming core and bypass pressure ratios of 6.19 and 3.24, respectively. Ambient flight conditions at design were commensurate with 45,000-ft standard day atmosphere.

shape optimization↗

NASA NTRS2020

A Computational Study to Investigate the Effect of Defect Geometries on the Fatigue Crack Driving Forces in Powder-Bed AM Materials

Powder-bed additive manufacturing (AM) processes are associated with the formation of multiple types of process-specific pores, including but not limited to lack-of-fusion (LoF) and keyhole pores. The performance of an AM component is dependent on the type of pores, their density and their proximity to the free surface, and other heterogeneities in the microstructure. In order to characterize the influence of porosity on the mechanical behavior of AM materials, it is imperative to quantitatively analyze the heterogeneous strain accumulation in the vicinity of porosity. Process-specific microstructure models are generated using SPPARKS, an open-source process simulation code. Spherical keyhole or irregular LoF pores are embedded into the microstructure models, which are meshed and input into a finite element code, ScIFEN, to solve for the heterogeneous strain localization in the vicinity of the pores. Given the non-smooth geometries of LoF pores, they readily promote strain accumulation in their vicinity thereby increasing the propensity of initiating fatigue cracks.

Saikumar R Yeratapally↗

DOE OSTI2025

One-shot learning for solution operators of partial differential equations

Learning and solving governing equations of a physical system, represented by partial differential equations (PDEs), from data is a central challenge in many areas of science and engineering. Traditional numerical methods can be computationally expensive for complex systems and require complete governing equations. Existing data-driven machine learning methods require large datasets to learn a surrogate solution operator, which could be impractical. Here, we propose a solution operator learning method that requires only one PDE solution, i.e., one-shot learning, along with suitable initial and boundary conditions. Leveraging the locality of derivatives, we define a local solution operator in small local domains, train it using a neural network, and use it to predict solutions of new input functions via mesh-based fixed-point iteration or meshfree neural-network based approaches. We test our method on various PDEs, complex geometries, and a practical spatial infection spread application, demonstrating its effectiveness and generalization capabilities.

97 MATHEMATICS AND COMPUTING↗