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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

EFFECT OF INCLINED WAVES ON DEEPLY EMBEDDED NUCLEAR FACILITIES

Several conceptual designs for advanced reactors show that most if not all of the structure is embedded in the soil. Consequently, analysis techniques that have been verified and validated for the analysis of light water reactors on surface foundations may not be directly applicable to deeply embedded reactors. Specifically two effects that may change the in-structure response (ISR) of embedded facilities are: (i) the effect of the kinematic interaction becomes more prominent as the embedment depth increases; (ii) non-vertically propagating waves, which are usually not considered for surface-founded facilities, may be more important for deeply embedded facilities. A preliminary study is presented in this article to understand the response of embedded nuclear facilities to non-vertically propagating seismic waves. The inclined wave field is generated from source-to-site simulations using representative earthquake faults with different dip angles. The embedment depth of the nuclear containment facility is also varied to obtain a better understanding of the effect of embedment. This analysis of the soil-structure ensemble is conducted using the application called Multi-hazard Analysis for STOchastic time-DOmaiN phenomena (MASTODON), developed on top of Idaho National Lab’s open source MOOSE finite element framework. The Domain Reduction Method implemented in MASTODON to incorporate the seismic excitation within the region of interest is verified and then used to reduce the computational effort in analyzing this problem. Preliminary analysis using linear soil and structure material properties and tied contact between the soil and structure indicate that embedding the nuclear facility reduces significantly the response of the structure in all the earthquake scenarios considered.

42 ENGINEERING↗
DOE OSTI2024

Adaptively remeshed multiphysical modeling of resistance forge welding with experimental validation of residual stress fields and measurement processes

Welding processes used in the production of pressure vessels impart residual stresses in the manufactured component. Computational modeling is critical to predicting these residual stress fields and understanding how they interact with notches and flaws to impact pressure vessel durability. Here, in this work, we present a finite element model for a resistance forge weld and validate it using laboratory measurements. Extensive microstructural changes, near-melt temperatures, and large localized deformations along the weld interface pose significant challenges to Lagrangian finite element modeling. The proposed modeling approach overcomes these roadblocks in order to provide a high-fidelity simulation that can predict the residual stress state in the manufactured pressure vessel; a rich microstructural constitutive model accounts for material recrystallization dynamics, a frictional-to-tied contact model is coordinated with the constitutive model to represent interfacial bonding, and adaptive remeshing is employed to alleviate severe mesh distortion. An interrupted-weld approach is applied to the simulation to facilitate comparison to displacement measures. Several techniques are employed for residual stress measurement in order to validate the finite element model: neutron diffraction, the contour method, and the slitting method. Model-measurement comparisons are supplemented with detailed simulations that reflect the configurations of the residual-stress measurement processes themselves. The model results show general agreement with experimental measurements, and we observe some similarities in the features around the weld region. Factors that contribute to model-measurement differences are identified. Finally, we conclude with some discussion of the model development and residual stress measurement strategies, including how to best leverage the efforts put forth here for other weld problems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An adaptive scalable fully implicit algorithm based on stabilized finite element for reduced visco-resistive MHD

The magnetohydrodynamics (MHD) equations are continuum models used in the study of a wide range of plasma physics systems, including the evolution of complex plasma dynamics in tokamak disruptions. However, efficient numerical solution methods for MHD are extremely challenging due to disparate time and length scales, strong hyperbolic phenomena, and nonlinearity. Additionally, therefore the development of scalable, implicit MHD algorithms and high-resolution adaptive mesh refinement strategies is of considerable importance. In this work, we develop a high-order stabilized finite-element algorithm for the reduced visco-resistive MHD equations based on the MFEM finite element library (mfem.org). The scheme is fully implicit, solved with the Jacobian-free Newton-Krylov (JFNK) method with a physics-based preconditioning strategy. Our preconditioning strategy is a generalization of the physics-based preconditioning methods in Chacón et al. (2002) to adaptive, stabilized finite elements. Algebraic multigrid methods are used to invert sub-block operators to achieve scalability. A parallel adaptive mesh refinement scheme with dynamic load-balancing is implemented to efficiently resolve the multi-scale spatial features of the system. Our implementation uses the MFEM framework, which provides arbitrary-order polynomials and flexible adaptive conforming and non-conforming meshes capabilities. Results demonstrate the accuracy, efficiency, and scalability of the implicit scheme in the presence of large scale disparity. The potential of the AMR approach is demonstrated on an island coalescence problem in the high Lundquist-number regime (≥ 10 7 ) with the successful resolution of plasmoid instabilities and thin current sheets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Optimization of Graded Bed Reactors for Syngas to Olefin (STO) Processes

Reactor designs with mixed catalysts play an important role to transform a multiple reactor system to single-shot reactors. In addition to savings in capital and ease of implementation, single-shot reactors are useful to break equilibrium limitations, therefore increasing the yield and selectivity of desired product. However, the nonlinear, highly exothermic and poorly conditioned nature of mixed-catalyst systems makes it difficult for commercial process simulation and optimization tools to optimize these systems. Here, this study describes the zone and partial moving finite element approaches and their applications to o-xylene oxidation and syngas to olefin (STO) processes. 35% and 5% increases are achieved in the product yield for o-xylene oxidation and STO problems, respectively. Shown with these two examples, this tool is very promising in process intensification for other reactive systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

A posteriori error estimation for multi-stage Runge–Kutta IMEX schemes

Implicit–Explicit (IMEX) schemes are widely used for time integration methods for approximating solutions to a large class of problems. In this work, we develop accurate a posteriori error estimates of a quantity-of-interest for approximations obtained from multi-stage IMEX schemes. This is done by first defining a finite element method that is nodally equivalent to an IMEX scheme, then using typical methods for adjoint-based error estimation. Furthermore, the use of a nodally equivalent finite element method allows a decomposition of the error into multiple components, each describing the effect of a different portion of the method on the total error in a quantity-of-interest.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Component-wise reduced order model lattice-type structure design

Lattice-type structures can provide a combination of stiffness with light weight that is desirable in a variety of applications. Design optimization of these structures must rely on approximations of the governing physics to render solution of a mathematical model feasible. In this paper, we propose a topology optimization (TO) formulation that approximates the governing physics using component-wise reduced order modeling as introduced in Huynh et al. (2013); Eftang and Patera (2013), which can reduce solution time by multiple orders of magnitude over a full-order finite element model while providing a relative error in the solution of 1%. In addition, the offline training data set from such component-wise models is reusable, allowing its application to many design problems for only the cost of a single offline training phase, and the component-wise method is nearly embarrassingly parallel. We also show how the parameterization chosen in our optimization allows a simplification of the component-wise reduced order model (CWROM) not noted in previous literature, for further speedup of the optimization process. Furthermore, the sensitivity of the compliance with respect to the particular parameterization is derived solely at the component level. In numerical examples, we demonstrate a 1000x speedup over a full-order FEM model with relative error of 1% and show minimum compliance designs for two different cantilever beam examples, one smaller and one larger. Finally, error bounds for the displacement field, compliance, and compliance sensitivity of the CWROM are derived.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Fierro Version 2.x

FIERRO is a parallel C++ code designed to simulate fluid mechanics, heat transfer, and solid mechanics in two- and three-dimensional space. FIERRO is written to run on homogeneous (CPU) and heterogeneous (CPU+GPU) high performance computing machines. Fierro can aid a) modeling and design efforts that have historically relied on commercial implicit and explicit finite element codes, b) numerical methods research, c) manufacturing research, and d) computer science research. The code contains diverse numerical methods to solve the governing physics equations for both quasi-static and dynamic problems. Mathematical optimization solvers are coupled to the numerical methods to research topology and shape optimization that has application to additive manufacturing, and to create novel numerical approaches. Phase-field methods with micromechanical solvers are provided to simulate microstructure formation and evolution in manufacturing processes. The micromechanical solvers can also help research efforts create continuum-scale constitutive models for solids, as a function of the microstructure, in situ in a calculation or in a stand-alone manner. No physical data exists within the code.

Morgan, Nathaniel↗
DOE OSTI2023

Fierro

FIERRO is a parallel C++ code designed to simulate fluid mechanics, heat transfer, and solid mechanics in two- and three dimensional space. FIERRO is written to run on homogeneous (CPU) and heterogeneous (CPU+GPU) high performance computing machines. Fierro can aid a) modeling and design efforts that have historically relied on commercial implicit and explicit finite element codes, b) numerical methods research, c) manufacturing research, and d) computer science research. The code contains diverse numerical methods to solve the governing physics equations for both quasi-static and dynamic problems. Mathematical optimization solvers are coupled to the numerical methods to research topology and shape optimization that has application to additive manufacturing, and to create novel numerical approaches. Phase-field methods with micromechanical solvers are provided to simulate microstructure formation and evolution in manufacturing processes. The micromechanical solvers can also help research efforts create continuum-scale constitutive models for solids, as a function of the microstructure, in situ in a calculation or in a stand-alone manner. No physical data exists within the code.

Morgan, Nathaniel↗
DOE OSTI2015

A heterogeneous stochastic FEM framework for elliptic PDEs

We introduce a new concept of sparsity for the stochastic elliptic operator −div(a(x,ω)∇(⋅)), which reflects the compactness of its inverse operator in the stochastic direction and allows for spatially heterogeneous stochastic structure. This new concept of sparsity motivates a heterogeneous stochastic finite element method (HSFEM) framework for linear elliptic equations, which discretizes the equations using the heterogeneous coupling of spatial basis with local stochastic basis to exploit the local stochastic structure of the solution space. We also provide a sampling method to construct the local stochastic basis for this framework using the randomized range finding techniques. The resulting HSFEM involves two stages and suits the multi-query setting: in the offline stage, the local stochastic structure of the solution space is identified; in the online stage, the equation can be efficiently solved for multiple forcing functions. An online error estimation and correction procedure through Monte Carlo sampling is given. Numerical results for several problems with high dimensional stochastic input are presented to demonstrate the efficiency of the HSFEM in the online stage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Efficient sensitivity analysis of the thermal profile in powder bed fusion of metals using hypercomplex automatic differentiation finite element method

Rapid cyclic temperature fluctuation occurring in powder bed fusion of metals using a laser beam (PBF-LB/M) influences the formation of flaws in printed parts. Consequently, there is a pressing need to enhance the quality of printed parts by developing innovative methodologies that can predict thermal histories and help uncover the intricate relationships between process parameters and thermal profiles. Sensitivity Analysis (SA) emerges as an essential tool for this, offering the potential for process optimization and enhanced quality control. Nonetheless, conventional SA methodologies often incur in excessive computational costs and potential numerical approximation errors. Here, to address this technical challenge, we present a novel method for SA that integrates the HYPercomplex-based Automatic Differentiation (HYPAD) technique with transient thermal simulations conducted via the finite element method (FEM). Leveraging this methodology, we efficiently and accurately perform SA for PBF-LB/M processes in a post-processing step. Compared to traditional methods like Finite Differences (FD), HYPAD-FEM required 96 % less computational time for obtaining sensitivities for 22 process parameters, under a comparative study conducted within the context of the 2018–02 AM benchmark of the National Institute of Standards and Technology. In summary, HYPAD-FEM offers superior efficiency and accuracy in SA over conventional methods, delivering the best sensitivity of a model without the need for step-size selection and problem or parameter-based implementations.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Residual Stress and Opening-Mode Fracture Analysis of Multilayered Structures Subjected to Thermal Loading

Temperature change after formation commonly results in thermal residual stress in multilayered structures due to the different thermal and mechanical properties of each layer. In this paper, a three-dimensional (3D) elastic model is developed to study the residual stress and opening-mode fractures (OMFs) in a multilayered structure consisting of arbitrary number of layers under temperature change. The general solution of displacement field in the multilayered structure is derived by solving the elastic boundary value problem. In order to verify the proposed model, the elastic field in the advanced polymeric solar reflectors that consist of four layers is solved by applying the present model and compared with the finite-element (FE) simulation. In addition, parametric studies are conducted to investigate the effect of the thickness ratio between each layer on the accuracy of the developed model. As a result, based on the obtained elastic field, the fracture energy release rate (ERR) in the surface layer of the advanced polymeric reflector is obtained and used to study the fracture initiation, infilling, and saturation successfully.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Physics-based shape matching for intraoperative image guidance

Purpose: Soft-tissue deformations can severely degrade the validity of preoperative planning data during computer assisted interventions. Intraoperative imaging such as stereo endoscopic, time-of-flight or, laser range scanner data can be used to compensate these movements. In this context, the intraoperative surface has to be matched to the preoperative model. The shape matching is especially challenging in the intraoperative setting due to noisy sensor data, only partially visible surfaces, ambiguous shape descriptors, and real-time requirements. Methods: A novel physics-based shape matching (PBSM) approach to register intraoperatively acquired surface meshes to preoperative planning data is proposed. The key idea of the method is to describe the nonrigid registration process as an electrostatic–elastic problem, where an elastic body (preoperative model) that is electrically charged slides into an oppositely charged rigid shape (intraoperative surface). It is shown that the corresponding energy functional can be efficiently solved using the finite element (FE) method. It is also demonstrated how PBSM can be combined with rigid registration schemes for robust nonrigid registration of arbitrarily aligned surfaces. Furthermore, it is shown how the approach can be combined with landmark based methods and outline its application to image guidance in laparoscopic interventions. Results: A profound analysis of the PBSM scheme based on in silico and phantom data is presented. Simulation studies on several liver models show that the approach is robust to the initial rigid registration and to parameter variations. The studies also reveal that the method achieves submillimeter registration accuracy (mean error between 0.32 and 0.46 mm). An unoptimized, single core implementation of the approach achieves near real-time performance (2 TPS, 7–19 s total registration time). It outperforms established methods in terms of speed and accuracy. Furthermore, it is shown that the method is able to accurately match partial surfaces. Finally, a phantom experiment demonstrates how the method can be combined with stereo endoscopic imaging to provide nonrigid registration during laparoscopic interventions. Conclusions: The PBSM approach for surface matching is fast, robust, and accurate. As the technique is based on a preoperative volumetric FE model, it naturally recovers the position of volumetric structures (e.g., tumors and vessels). It cannot only be used to recover soft-tissue deformations from intraoperative surface models but can also be combined with landmark data from volumetric imaging. In addition to applications in laparoscopic surgery, the method might prove useful in other areas that require soft-tissue registration from sparse intraoperative sensor data (e.g., radiation therapy)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

FIERRO V.X

FIERRO is a modern C++ code intended to simulate quasi-static solid mechanics problems and transient, compressible material dynamic problems with Lagrangian methods, which have meshes with constant mass elements that move with the material. FIERRO is designed to aid a) material model research that has historically been done using commercial implicit and explicit finite element codes, b) numerical methods research, and c) computer science research. FIERRO supports user developed material models that adhere to several industry standard formats by using a C++ to Fortran interface to couple the model to the numerical solvers. FIERRO is built on the ELEMENTS library that supports a diverse suite of element types, including high-order elements, and quadrature rules. The mesh class within the ELEMENTS library is designed for efficient calculations on unstructured meshes and to minimize memory usage. FIERRO is designed to readily accommodate a range of numerical methods including continuous finite element, finite volume, and discontinuous Galerkin methods. FIERRO is designed to support explicit and implicit time integration methods. FIERRO only supports a single material in an element. No physical data exists within the code.

Morgan, Nathaniel↗
DOE OSTI2022

Islet: interpolation semi-Lagrangian element-based transport

Abstract. Advection of trace species, or tracers, also called tracer transport, in models of the atmosphere and other physical domains is an important and potentially computationally expensive part of a model's dynamical core. Semi-Lagrangian (SL) advection methods are efficient because they permit a time step much larger than the advective stability limit for explicit Eulerian methods without requiring the solution of a globally coupled system of equations as implicit Eulerian methods do. Thus, to reduce the computational expense of tracer transport, dynamical cores often use SL methods to advect tracers. The class of interpolation semi-Lagrangian (ISL) methods contains potentially extremely efficient SL methods. We describe a finite-element ISL transport method that we call the interpolation semi-Lagrangian element-based transport (Islet) method, such as for use with atmosphere models discretized using the spectral element method. The Islet method uses three grids that share an element grid: a dynamics grid supporting, for example, the Gauss–Legendre–Lobatto basis of degree three; a physics parameterizations grid with a configurable number of finite-volume subcells per element; and a tracer grid supporting use of Islet bases with particular basis again configurable. This method provides extremely accurate tracer transport and excellent diagnostic values in a number of verification problems.

58 GEOSCIENCES↗
DOE OSTI2015

On the use of finite difference matrix-vector products in Newton-Krylov solvers for implicit climate dynamics with spectral elements

Efficient solutions of global climate models require effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a step size governed by accuracy of the processes of interest rather than by stability of the fastest time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton's method is applied to solve these systems. Each iteration of the Newton's method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but this Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite difference approximation which may introduce inaccuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite difference approximations of these matrix-vector products for climate dynamics within the spectral element shallow water dynamical core of the Community Atmosphere Model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Contact resonances of U-shaped atomic force microscope probes

Recent approaches used to characterize the elastic or viscoelastic properties of materials with nanoscale resolution have focused on the contact resonances of atomic force microscope (CR-AFM) probes. The experiments for these CR-AFM methods involve measurement of several contact resonances from which the resonant frequency and peak width are found. The contact resonance values are then compared with the noncontact values in order for the sample properties to be evaluated. The data analysis requires vibration models associated with the probe during contact in order for the beam response to be deconvolved from the measured spectra. To date, the majority of CR-AFM research has used rectangular probes that have a relatively simple vibration response. Recently, U-shaped AFM probes have created much interest because they allow local sample heating. However, the vibration response of these probes is much more complex such that CR-AFM is still in its infancy. In this article, a simplified analytical model of U-shaped probes is evaluated for contact resonance applications relative to a more complex finite element (FE) computational model. The tip-sample contact is modeled using three orthogonal Kelvin-Voigt elements such that the resonant frequency and peak width of each mode are functions of the contact conditions. For the purely elastic case, the frequency results of the simple model are within 8% of the FE model for the lowest six modes over a wide range of contact stiffness values. Results for the viscoelastic contact problem for which the quality factor of the lowest six modes is compared show agreement to within 13%. These results suggest that this simple model can be used effectively to evaluate CR-AFM experimental results during AFM scanning such that quantitative mapping of viscoelastic properties may be possible using U-shaped probes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, large conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.

58 GEOSCIENCES↗
DOE OSTI2025

TRUST Sensors in Environments: Thermocouples (SE-TC), Release FY25

The Delivery Environments Testbeds to Reduce Uncertainty in Simulations and Tests (TRUST) project is a broad project intended to analyze simplified problems experimentally and with modeling and simulation. The purpose of analyzing these simplified problems is to extend solution methods to more complex problems, as well as understand deficiencies and gaps in knowledge of methods currently used in more complex analyses. The TRUST project encompasses several smaller testbeds intended to isolate individual phenomena. The testbed under consideration in this report is the Sensors in Environments: Thermocouples testbed. In previous years, the purpose of this testbed was to quantify uncertainty of thermocouple sensors. To accomplish this, an aluminum plate was placed in a thermal chamber and subject to various types of thermal loading. Thermocouples were placed in various locations on the aluminum plate in various configurations (e.g., embedded in the plate, placed under Kapton tape), and an effort was made to quantify uncertainty in these measurements. Finite element simulations were performed to investigate how sensitive these measurements were to parameters such as the boundary conditions on the plate and material properties. However, a fundamental source of uncertainty in this analysis was the convective heat transfer from the plate. Convective heat transfer is a complex physical phenomenon comprised of a number of interacting sub-processes and is difficult to predict accurately a priori. As such, the main purpose of this testbed in FY25 was to better understand, both experimentally and numerically, the convective heat transfer from the plate. This is a highly applicable problem to several more complex problems, as convective heat transfer occurs in nearly all problems where a body is moving through air. Numerically, this required a two-step approach. First, the air flow in the thermal chamber was in vestigated using computational fluid dynamics. The commercial solver Fluent was used to perform these simulations. From these simulations, a heat transfer coefficient over the surface of the plate was calculated. This heat transfer was then used as boundary conditions for finite element heat transfer simulations within the plate, which were performed using Abaqus. Significant effort was devoted to automating the handoff between these two solvers. Experimentally, previous thermocouple results in the plate were used to validate the time-dependent thermal profiles produced from Abaqus. Further experimental efforts were performed both to help validate the Fluent simulations and to inform its boundary conditions. For example, hot-wire anemometers were used to measure the velocity in the chamber, which would be particularly useful in understanding the chamber inlet velocity. Thermocouple measurements were also taken in the chamber, instead of only on the plate, to serve as validation evidence for the Fluent simulations. Numerical results showed that the Fluent to Abaqus workflow matched previous plate thermocouple measurements well. This type of handoff is useful for more complex experiments, or those that are not able to be examined in as great of detail as this testbed, as it was performed without any experimental input. Experimental results, however, were more mixed. The anemometers proved unreliable, with inconsistent measurements across all anemometers, even at locations that were nearly identical. On the other hand, the thermocouples provided a relatively rich view of the temperature field in the chamber.

42 ENGINEERING↗