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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

NSR&D FY17 Report: CartaBlanca Capability Enhancements

Over the last several years, particle technology in the CartaBlanca code has been matured and has been successfully applied to a wide variety of physical problems. It has been shown that the particle methods, especially Los Alamos's dual domain material point method, is capable of computing many problems involves complex physics, chemistries accompanied by large material deformations, where the traditional finite element or Eulerian method encounter significant difficulties. In FY17, the CartaBlanca code has been enhanced with physical models and numerical algorithms. We started out to compute penetration and HE safety problems. Most of the year we focused on the TEPLA model improvement testing against the sweeping wave experiment by Gray et al., because it was found that pore growth and material failure are essentially important for our tasks and needed to be understood for modeling the penetration and the can experiments efficiently. We extended the TEPLA mode from the point view of ensemble phase average to include the effects of nite deformation. It is shown that the assumed pore growth model in TEPLA is actually an exact result from the theory. Alone this line, we then generalized the model to include finite deformations to consider nonlinear dynamics of large deformation. The interaction between the HE product gas and the solid metal is based on the multi-velocity formation. Our preliminary numerical results suggest good agreement between the experiment and the numerical results, pending further verification. To improve the parallel processing capabilities of the CartaBlanca code, we are actively working with the Next Generation Code (NGC) project to rewrite selected packages using C++. This work is expected to continue in the following years. This effort also makes the particle technology developed with CartaBlanca project available to other part of the laboratory. Working with the NGC project and rewriting some parts of the code also given us an opportunity to improve our numerical implementations of the method and to take advantage of recently advances in the numerical methods, such as multiscale algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Stochastic multiscale flux basis for Stokes-Darcy flows

Three algorithms are developed for uncertainty quantification in modeling coupled Stokes and Darcy flows. The porous media may consist of multiple regions with different properties. The permeability is modeled as a non-stationary stochastic variable, with its log represented as a sum of local Karhunen-Loève (KL) expansions. The problem is approximated by stochastic collocation on either tensor-product or sparse grids, coupled with a multiscale mortar mixed finite element method for the spatial discretization. A non-overlapping domain decomposition algorithm reduces the global problem to a coarse scale mortar interface problem, which is solved by an iterative solver, for each stochastic realization. In the traditional domain decomposition implementation, each subdomain solves a local Dirichlet or Neumann problem in every interface iteration. To reduce this cost, two additional algorithms based on deterministic or stochastic multiscale flux basis are introduced. The basis consists of the local flux (or velocity trace) responses from each mortar degree of freedom. It is computed for each subdomain independently before the interface iteration begins. The use of the multiscale flux basis avoids the need for subdomain solves on each iteration. The deterministic basis is computed at each stochastic collocation and used only at this realization. The stochastic basis is formed by further looping over all local realizations of a subdomain's KL region before the stochastic collocation begins. It is used over multiple realizations. Numerical tests are presented to illustrate the performance of the three algorithms, with the stochastic multiscale flux basis showing significant savings in computational cost compared to the other two algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

HFEM3D

Software solves the three-dimensional Poisson equation div(k(grad(u)) = f, by the finite element method for the case when material properties, k, are distributed over hierarchy of edges, facets and tetrahedra in the finite element mesh. Method is described in Weiss, CJ, Finite element analysis for model parameters distributed on a hierarchy of geometric simplices, Geophysics, v82, E155-167, doi:10.1190/GEO2017-0058.1 (2017). A standard finite element method for solving Poisson’s equation is augmented by including in the 3D stiffness matrix additional 2D and 1D stiffness matrices representing the contributions from material properties associated with mesh faces and edges, respectively. The resulting linear system is solved iteratively using the conjugate gradient method with Jacobi preconditioning. To minimize computer storage for program execution, the linear solver computes matrix-vector contractions element-by-element over the mesh, without explicit storage of the global stiffness matrix. Program output vtk compliant for visualization and rendering by 3rd party software. Program uses dynamic memory allocation and as such there are no hard limits on problem size outside of those imposed by the operating system and configuration on which the software is run. Dimension, N, of the finite element solution vector is constrained by the the addressable space in 32-vs-64 bit operating systems. Total storage requirements for the problem. Total working space required for the program is approximately 13*N double precision words.

Weiss, Chester J↗
DOE OSTI2016

A novel Lagrangian approach for the stable numerical simulation of fault and fracture mechanics

The simulation of the mechanics of geological faults and fractures is of paramount importance in several applications, such as ensuring the safety of the underground storage of wastes and hydrocarbons or predicting the possible seismicity triggered by the production and injection of subsurface fluids. However, the stable numerical modeling of ground ruptures is still an open issue. The present work introduces a novel formulation based on the use of the Lagrange multipliers to prescribe the constraints on the contact surfaces. The variational formulation is modified in order to take into account the frictional work along the activated fault portion according to the principle of maximum plastic dissipation. The numerical model, developed in the framework of the Finite Element method, provides stable solutions with a fast convergence of the non-linear problem. The stabilizing properties of the proposed model are emphasized with the aid of a realistic numerical example dealing with the generation of ground fractures due to groundwater withdrawal in arid regions. - Highlights: • A numerical model is developed for the simulation of fault and fracture mechanics. • The model is implemented in the framework of the Finite Element method and with the aid of Lagrange multipliers. • The proposed formulation introduces a new contribution due to the frictional work on the portion of activated fault. • The resulting algorithm is highly non-linear as the portion of activated fault is itself unknown. • The numerical solution is validated against analytical results and proves to be stable also in realistic applications.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

A multi-resolution approach to hydraulic fracture simulation

Abstract We present a multi-resolution approach for constructing model-based simulations of hydraulic fracturing, wherein flow through porous media is coupled with fluid-driven fracture. The approach consists of a hybrid scheme that couples a discrete crack representation in a global domain to a phase-field representation in a local subdomain near the crack tip. The multi-resolution approach addresses issues such as the computational expense of accurate hydraulic fracture simulations and the difficulties associated with reconstructing crack apertures from diffuse fracture representations. In the global domain, a coupled system of equations for displacements and pressures is considered. The crack geometry is assumed to be fixed and the displacement field is enriched with discontinuous functions. Around the crack tips in the local subdomains, phase-field sub-problems are instantiated on the fly to propagate fractures in arbitrary, mesh independent directions. The governing equations and fields in the global and local domains are approximated using a combination of finite-volume and finite element discretizations. The efficacy of the method is illustrated through various benchmark problems in hydraulic fracturing, as well as a new study of fluid-driven crack growth around a stiff inclusion.

58 GEOSCIENCES↗
DOE OSTI2020

Novel strategies for modal-based structural material identification

Here, we present modal-based methods for model calibration in structural dynamics, and address several key challenges in the solution of gradient-based optimization problems with eigenvalues and eigenvectors, including the solution of singular Helmholtz problems encountered in sensitivity calculations, non-differentiable objective functions caused by mode swapping during optimization, and cases with repeated eigenvalues. Unlike previous literature that relied on direct solution of the eigenvector adjoint equations, we present a parallel iterative domain decomposition strategy (Adjoint Computation via Modal Superposition with Truncation Augmentation) for the solution of the singular Helmholtz problems. For problems with repeated eigenvalues we present a novel Mode Separation via Projection algorithm, and in order to address mode swapping between inverse iterations we present a novel Injective mode ordering metric. We present the implementation of these methods in a massively parallel finite element framework with the ability to use measured modal data to extract unknown structural model parameters from large complex problems. A series of increasingly complex numerical examples are presented that demonstrate the implementation and performance of the methods in a massively parallel finite element framework [7], [5], using gradient-based optimization techniques in the Rapid Optimization Library (ROL) [21].

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiscale design of nonlinear materials using a Eulerian shape optimization scheme

Motivated by recent advances in manufacturing, the design of materials is the focal point of interest in the material research community. One of the critical challenges in this field is finding optimal material microstructure for a desired macroscopic response. This work presents a computational method for the mesoscale-level design of particulate composites for an optimal macroscale-level response. The method relies on a custom shape optimization scheme to find the extrema of a nonlinear cost function subject to a set of constraints. Three key “modules” constitute the method: multiscale modeling, sensitivity analysis, and optimization. Multiscale modeling relies on a classical homogenization method and a nonlinear NURBS-based generalized finite element scheme to efficiently and accurately compute the structural response of particulate composites using a nonconformal discretization. A three-parameter isotropic damage law is used to model microstructure-level failure. An analytical sensitivity method is developed to compute the derivatives of the cost/constraint functions with respect to the design variables that control the microstructure's geometry. The derivation uncovers subtle but essential new terms contributing to the sensitivity of finite element shape functions and their spatial derivatives. Several structural problems are solved to demonstrate the applicability, performance, and accuracy of the method for the design of particulate composites with a desired macroscopic nonlinear stress-strain response.

42 ENGINEERING↗
DOE OSTI2017

Algorithms and analyses for stochastic optimization for turbofan noise reduction using parallel reduced-order modeling

Simulation-based optimization of acoustic liner design in a turbofan engine nacelle for noise reduction purposes can dramatically reduce the cost and time needed for experimental designs. Because uncertainties are inevitable in the design process, a stochastic optimization algorithm is posed based on the conditional value-at-risk measure so that an ideal acoustic liner impedance is determined that is robust in the presence of uncertainties. A parallel reduced-order modeling framework is developed that dramatically improves the computational efficiency of the stochastic optimization solver for a realistic nacelle geometry. The reduced stochastic optimization solver takes less than 500 s to execute. Additionally, well-posedness and finite element error analyses of the state system and optimization problem are provided.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

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↗
DOE OSTI2016

Adaptive enriched Galerkin methods for miscible displacement problems with entropy residual stabilization

Here we present a novel approach to the simulation of miscible displacement by employing adaptive enriched Galerkin finite element methods (EG) coupled with entropy residual stabilization for transport. In particular, numerical simulations of viscous fingering instabilities in heterogeneous porous media and Hele–Shaw cells are illustrated. EG is formulated by enriching the conforming continuous Galerkin finite element method (CG) with piecewise constant functions. The method provides locally and globally conservative fluxes, which are crucial for coupled flow and transport problems. Moreover, EG has fewer degrees of freedom in comparison with discontinuous Galerkin (DG) and an efficient flow solver has been derived which allows for higher order schemes. Dynamic adaptive mesh refinement is applied in order to reduce computational costs for large-scale three dimensional applications. In addition, entropy residual based stabilization for high order EG transport systems prevents spurious oscillations. Numerical tests are presented to show the capabilities of EG applied to flow and transport.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Multiscale simulations for multi-continuum Richards equations

In this paper, we study a multiscale method for simulating a dual-continuum unsaturated flow problem within complex heterogeneous fractured porous media. Mathematically, each of the dual continua is modeled by a multiscale Richards equation (for pressure head), and these equations are coupled to one another by transfer terms. On its own, Richards equation is already a nonlinear partial differential equation, and it is exceedingly difficult to solve numerically due to the extra nonlinear dependencies involving the soil water. To deal with multiple scales, our strategy is that starting from a microscopic scale, we upscale the coupled system of dual-continuum Richards equations via homogenization by the two-scale asymptotic expansion, to obtain a homogenized system, at an intermediate scale (level). Based on a hierarchical approach, the homogenization’s effective coefficients are computed through solving the arising cell problems. Furthermore, to tackle the nonlinearity, after time discretization, we use Picard iteration procedure for linearization of the homogenized Richards equations. At each Picard iteration, some degree of multiscale still remains from the intermediate level, so we utilize the generalized multiscale finite element method (GMsFEM) combining with a multi-continuum approach, to upscale the homogenized system to a macroscopic (coarse-grid) level. This scheme involves building uncoupled and coupled multiscale basis functions, which are used not only to construct coarse-grid solution approximation with high accuracy but also (with the coupled multiscale basis) to capture the interactions among continua. These prospects and convergence are demonstrated by several numerical results for the proposed method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Performance Improvements for the Griffin Transport Solvers

Griffin is a Multiphysics Object-Oriented Simulation Environment based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. Griffin includes a variety of deterministic radiation transport solvers for fixed source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. A code assessment performed in FY-20 identified two significant issues with the transport solvers in Griffin: first, the primary heterogeneous SN (discrete ordinates) transport solver based on continuous finite element methods required significant mesh refinement and higher memory usage compared to solvers based on the method of characteristic for equivalent accuracy. Second, the homogeneous PN (spherical harmonics expansion) transport solver did not adequately support polynomial refinement, which is a feature usually required for problems with spatial homogenization and pronounced streaming, typical in fast or gas-cooled reactor systems. To address the first issue, the development effort focused on the more promising discontinuous finite element method (DFEM)-based SN transport solver in Griffin. The addition of an asynchronous parallel transport sweeper and coarse mesh finite difference (CMFD) acceleration have rendered a superior heterogeneous SN transport capability for multiphysics problems that requires far less computing resources in terms of both CPU time and memory usage. This is demonstrated with typical thermal- and fast-spectrum reactor benchmark problems, including 2D Transient Reactor Test, 3D Advanced Burner Test Reactor (ABTR), and 2D and 3D Empire microreactor. For the second issue, the development effort focused on a new transport solver based on the hybrid finite element PN method (HFEM-PN), equivalent to the variational nodal method, as well as a new diffusion solver based on HFEM-Diffusion. This solver is intended for homogenized domains with multiphysics coupling (i.e., supports mesh displacement, seamless temperature feedback, etc.). Initial calculations with the HFEM-Diffusion implementation show very good parallel efficiency for the residual evaluations with the 2D ABTR benchmark. A future development effort will be centered on further improvements to the CMFD, HFEM-PN, and DFEM diffusion solvers to ensure Griffin meets performance and software quality assurance requirements for advanced reactor design and analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Modeling curved interfaces without element‐partitioning in the extended finite element method

Summary In this paper, we model holes and material interfaces (weak discontinuities) in two‐dimensional linear elastic continua using the extended finite element method on higher‐order (spectral) finite element meshes. Arbitrary parametric curves such as rational Bézier curves and cubic Hermite curves are adopted in conjunction with the level set method to represent curved interfaces. Efficient computation of weak form integrals with polynomial integrands is realized via the homogeneous numerical integration scheme—a method that uses Euler's homogeneous function theorem and Stokes' theorem to reduce integration to the boundary of the domain. Numerical integration on cut elements requires the evaluation of a one‐dimensional integral over a parametric curve, and hence, the need to partition curved elements is eliminated. To improve stiffness matrix conditioning, ghost penalty stabilization and the Jacobi preconditioner are used. For material interface problems, we develop an enrichment function that captures weak discontinuities on spectral meshes. Taken together, we show through numerical experiments that these advances deliver optimal algebraic rates of convergence with h ‐refinement ( p =1,2,…,5) and exponential rates of convergence with p ‐refinement ( p =1,2,…,7) for elastostatic problems with holes and material inclusions on Cartesian p th‐order spectral finite element meshes.

Chin, Eric B.↗
DOE OSTI2019

Analysis of Integrated Fuselage Composite Seat for Small Aircraft in Crashworthiness Applications

The research paper is addressed to develop and validate an aircraft seat cushion to be used for the passenger seat directly integrated in the fuselage. For very light aircraft, these systems result to be a good choice in terms of weight reduction and space optimization, but can represent a challenging problem for crashworthiness design and a key energy-absorbing function for human protection from injuries so to improve the level of the safety. The first issue was dedicated to investigate the mechanical properties of four commercial foams, diffused in different industrial applications, which present nonlinear and time-dependent viscoelastic behavior, and finally to determine whether typical seat cushion materials are rate sensitive or not. Then, numerical simulations were validated with measurements to simulate the mechanical properties of foams and to evaluate the contact pressures, stress distribution, and the dependence of stress on the strain rate in order to provide adequate levels of both comfort and energy absorption.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comprehensive uncertainty quantification (UQ) for full engineering models by solving probability density function (PDF) equation

This report details a new method for propagating parameter uncertainty (forward uncertainty quantification) in partial differential equations (PDE) based computational mechanics applications. The method provides full-field quantities of interest by solving for the joint probability density function (PDF) equations which are implied by the PDEs with uncertain parameters. Full-field uncertainty quantification enables the design of complex systems where quantities of interest, such as failure points, are not known apriori. The method, motivated by the well-known probability density function (PDF) propagation method of turbulence modeling, uses an ensemble of solutions to provide the joint PDF of desired quantities at every point in the domain. A small subset of the ensemble is computed exactly, and the remainder of the samples are computed with approximation of the driving (dynamics) term of the PDEs based on those exact solutions. Although the proposed method has commonalities with traditional interpolatory stochastic collocation methods applied directly to quantities of interest, it is distinct and exploits the parameter dependence and smoothness of the dynamics term of the governing PDEs. The efficacy of the method is demonstrated by applying it to two target problems: solid mechanics explicit dynamics with uncertain material model parameters, and reacting hypersonic fluid mechanics with uncertain chemical kinetic rate parameters. A minimally invasive implementation of the method for representative codes SPARC (reacting hypersonics) and NimbleSM (finite- element solid mechanics) and associated software details are described. For solid mechanics demonstration problems the method shows order of magnitudes improvement in accuracy over traditional stochastic collocation. For the reacting hypersonics problem, the method is implemented as a streamline integration and results show very good accuracy for the approximate sample solutions of re-entry flow past the Apollo capsule geometry at Mach 30.

42 ENGINEERING↗
DOE OSTI2016

Implementation of the full viscoresistive magnetohydrodynamic equations in a nonlinear finite element code

Numerical simulations form an indispensable tool to understand the behavior of a hot plasma that is created inside a tokamak for providing nuclear fusion energy. Various aspects of tokamak plasmas have been successfully studied through the reduced magnetohydrodynamic (MHD) model. The need for more complete modeling through the full MHD equations is addressed here. Our computational method is presented along with measures against possible problems regarding pollution, stability, and regularity. The problem of ensuring continuity of solutions in the center of a polar grid is addressed in the context of a finite element discretization of the full MHD equations. A rigorous and generally applicable solution is proposed here. Useful analytical test cases are devised to verify the correct implementation of the momentum and induction equation, the hyperdiffusive terms, and the accuracy with which highly anisotropic diffusion can be simulated. A striking observation is that highly anisotropic diffusion can be treated with the same order of accuracy as isotropic diffusion, even on non-aligned grids, as long as these grids are generated with sufficient care. This property is shown to be associated with our use of a magnetic vector potential to describe the magnetic field. Several well-known instabilities are simulated to demonstrate the capabilities of the new method. The linear growth rate of an internal kink mode and a tearing mode are benchmarked against the results of a linear MHD code. The evolution of a tearing mode and the resulting magnetic islands are simulated well into the nonlinear regime. The results are compared with predictions from the reduced MHD model. Finally, a simulation of a ballooning mode illustrates the possibility to use our method as an ideal MHD method without the need to add any physical dissipation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A weighted shifted boundary method for immersed moving boundary simulations of Stokes' flow

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods, and relies on reformulating the original boundary value problem over a surrogate (approximate) computational domain. The surrogate domain is constructed so as to avoid cut cells and the associated problematic implementation and numerical integration issues. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions: hence the name of the method, that shifts the location and values of the boundary conditions. Here, in this article, we extend the SBM to the simulation of incompressible Stokes flow, by appropriately weighting its variational form with the elemental volume fraction of active fluid. This approach allows to drastically reduce spurious pressure oscillations in time, which are produced if the total volume of active fluid were to change abruptly over a time step. The proposed Weighted SBM (W-SBM) exactly preserves states of hydrostatic equilibrium, and induces small mass and momentum conservation errors, which converge as the grid is refined. This is in analogy to cutFEMs and related unfitted approaches, which rely on an affine representation of cut boundaries. We demonstrate the robustness and accuracy of the proposed method with an extensive suite of two-dimensional tests.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

An optimization‐based phase‐field method for continuous‐discontinuous crack propagation

Summary A new continuous‐discontinuous strategy for the computational modeling of crack propagation within the context of phase‐field models of fracture is presented. The method is designed to introduce and update a sharp crack surface within an evolving damage band and to enhance the kinematics of the finite element approximation accordingly. The proposed approach relies on three key elements. First, we propose the use of a crack length functional to provide a trigger for initiating a continuous to discontinuous transition. Next, the crack path identification is addressed by introducing the concept of an auxiliary damage field that varies with an extension of the sharp crack surface. The sharp crack surface is extended through an optimization algorithm, in which the difference between the auxiliary field and the actual damage field stemming from the phase‐field framework is minimized. Finally, a strong discontinuity is inserted in the wake of the diffuse crack tip with the extended finite element method, completing the continuous to discontinuous transition. Several benchmark problems in two‐dimensional quasi‐static fracture mechanics are presented to demonstrate the accuracy and robustness of the method.

Geelen, Rudy J. M.↗