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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Two-Level Least Squares Methods in Krylov Subspaces

Two-level least squares acceleration approaches are applied to the Chebyshev acceleration method and the restarted conjugate residual method in solving systems of linear algebraic equations with sparse unsymmetric coefficient matrices arising from finite volume or finite element approximations of boundary-value problems on irregular grids. Application of the proposed idea to other iterative restarted processes also is considered. The efficiency of the algorithms suggested is investigated numerically on a set of model Dirichlet problems for the convection-diffusion equation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Machine learning simulation of finite element analysis in augmented reality

Media, method and system for approximating a finite element analysis texture map for an object. To accomplish this, the object is converted to a computer generated model and finite element analysis is performed for a plurality of different simulated inputs to generate a plurality of simulated mappings. Each simulated mapping is converted into a simulated texture map. A machine learning model is trained on the simulated inputs and simulated texture maps to generate a texture map which approximates a finite element analysis. The machine learning model receives a user input and generates the texture map therefrom. The texture map is then wrapped to the object and displayed.

Scherer, Derek Carl↗
DOE OSTI2017

In-memory integration of existing software components for parallel adaptive unstructured mesh workflows

Unstructured mesh methods, like finite elements and finite volumes, support the effective analysis of complex physical behaviors modeled by partial differential equations over general threedimensional domains. The most reliable and efficient methods apply adaptive procedures with a-posteriori error estimators that indicate where and how the mesh is to be modified. Although adaptive meshes can have two to three orders of magnitude fewer elements than a more uniform mesh for the same level of accuracy, there are many complex simulations where the meshes required are so large that they can only be solved on massively parallel systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Multislice does it all—calculating the performance of nanofocusing X-ray optics

Here, we describe an approach to calculating the optical performance of a wide range of nanofocusing X-ray optics using multislice scalar wave propagation with a complex X-ray refractive index. This approach produces results indistinguishable from methods such as coupled wave theory, and it allows one to reproduce other X-ray optical phenomena such as grazing incidence reflectivity where the direction of energy flow is changed significantly. Just as finite element analysis methods allow engineers to compute the thermal and mechanical responses of arbitrary structures too complex to model by analytical approaches, multislice propagation can be used to understand the properties of the real-world optics of finite extent and with local imperfections, allowing one to better understand the limits to nanoscale X-ray imaging.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Microstructural effects in the simulation of creep of concrete

The influence of the microstructure on the visco-elastic properties of concrete is investigated using finite element simulations at the meso-scale. We first derive a constitutive law for the creep of the cement paste which accounts for both recoverable and permanent deformations, as well as the influence of temperature and internal relative humidity. The model is calibrated on a set of experiments at the cement paste scale, and then validated after upscaling to the concrete scale. The model is then applied to study the influence of the microstructure on the macroscopic creep of concrete. We show that materials with finer particles exhibit less creep, and that the anisotropy of creep can be explained with the shape and orientation of the aggregates. Furthermore, the acceleration of the stress relaxation in the presence of damage is explained by the micro-mechanical interaction between the aggregates, the cement paste, and the micro-cracks.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Coupling extended magnetohydrodynamic fluid codes with radiofrequency ray tracing codes for fusion modeling

Neoclassical tearing modes are macroscopic ($L$ ~ 1 m) instabilities in magnetic fusion experiments; if unchecked, these modes degrade plasma performance and may catastrophically destroy plasma confinement by inducing a disruption. Fortunately, the use of properly tuned and directed radiofrequency waves ($λ$ ~ 1 mm) can eliminate these modes. Numerical modeling of this difficult multiscale problem requires the integration of separate mathematical models for each length and time scale [T. G. Jenkins, S. E. Kruger, Phys. Plasmas 19 (2012) 122508]; the extended MHD model captures macroscopic plasma evolution while the RF model tracks the flow and deposition of injected RF power through the evolving plasma profiles. The scale separation enables use of the eikonal (ray-tracing) approximation to model the RF wave propagation. In this work we demonstrate a technique, based on methods of computational geometry, for mapping the ensuing RF data (associated with discrete ray trajectories) onto the finite-element/pseudospectral grid that is used to model the extended MHD physics. In the new representation, the RF data can then be used to construct source terms in the equations of the extended MHD model, enabling quantitative modeling of RF-induced tearing mode stabilization. Though our specific implementation uses the NIMROD extended MHD [C. R. Sovinec et al., J. Comp. Phys. 195 (2004) 355] and GENRAY RF [A. P. Smirnov, R. W. Harvey, K. Kupfer, Bull. Amer. Phys. Soc. 39 (1994) 1626] codes, the approach presented can be applied more generally to any code coupling requiring the mapping of ray tracing data onto Eulerian grids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Calibration of higher eigenmodes of cantilevers

A method is presented for calibrating the higher eigenmodes (resonant modes) of atomic force microscopy cantilevers that can be performed prior to any tip-sample interaction. The method leverages recent efforts in accurately calibrating the first eigenmode by providing the higher-mode stiffness as a ratio to the first mode stiffness. A one-time calibration routine must be performed for every cantilever type to determine a power-law relationship between stiffness and frequency, which is then stored for future use on similar cantilevers. Then, future calibrations only require a measurement of the ratio of resonant frequencies and the stiffness of the first mode. This method is verified through stiffness measurements using three independent approaches: interferometric measurement, AC approach-curve calibration, and finite element analysis simulation. Power-law values for calibrating higher-mode stiffnesses are reported for several cantilever models. Once the higher-mode stiffnesses are known, the amplitude of each mode can also be calibrated from the thermal spectrum by application of the equipartition theorem.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

A Low-Rank Multigrid Method for the Stochastic Steady-State Diffusion Problem

We study a multigrid method for solving large linear systems of equations with tensor product structure here. Such systems are obtained from stochastic finite element discretization of stochastic partial differential equations such as the steady-state diffusion problem with random coefficients. When the variance in the problem is not too large, the solution can be well approximated by a low-rank object. In the proposed multigrid algorithm, the matrix iterates are truncated to low rank to reduce memory requirements and computational effort. The technique is proved convergent with an analytic error bound. Numerical experiments show its effectiveness in solving the Galerkin systems compared to the original multigrid solver, especially when the number of degrees of freedom associated with the spatial discretization is large.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Advancement of Functional Expansion Tallies Capabilities in Serpent 2

The need for accident tolerant fuels (ATFs) became self-evident after the series of unfortunate nuclear events at Fukushima Daiichi in 2011. Restarting the Transient Reactor Test Facility (TREAT) at INL is one component in this concerted effort to establish the ATF development and testing program under the United States Department of Energy. Prior to the closure of TREAT in 1994, each experiment required multiple low-power calibration tests before and after each run. Since then, computing advancements have set computer-based modeling and simulation (M and S) as the preferred calibration method. The anticipated savings are both temporal and monetary. MAMMOTH, a collection of M and S tools built from the finite element-based MOOSE Framework, has been established to support the designed experiments intended for TREAT. This collection of tools includes: 1) Rattlesnake, a striking diffusion-based neutronics code, 2) BISON, an advanced materials and fuels performance code, and 3) RELAP-7, a powerful thermal-hydraulics solver. Each is capable of independently performing its function accurately and effectively; unified, they create a powerful multiphysics reactor core M and S application. One unfortunate weakness in this configuration lies in the unique geometry and design of TREAT's core. Although simple to model, this poses a challenge to the diffusion solver in Rattlesnake. One alternative is to replace Rattlesnake with Serpent, a fully-fledged Monte Carlo (MC) neutronics code. Coincidentally, Rattlesnake calculations are frequently validated against Serpent simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Predicting Stress vs. Strain Behaviors of Thin-Walled High Pressure Die Cast Magnesium Alloy with Actual Pore Distribution

In this paper, a three-dimensional (3D) microstructure-based finite element modeling method (i.e., extrinsic modeling method) is developed, which can be used in examining the effects of porosity on the ductility/fracture of Mg castings. For this purpose, AM60 Mg tensile samples were generated under high-pressure die-casting in a specially-designed mold. Before the tensile test, the samples were CT-scanned to obtain the pore distributions within the samples. 3D microstructure-based finite element models were then developed based on the obtained actual pore distributions of the gauge area. The input properties for the matrix material were determined by fitting the simulation result to the experimental result of a selected sample, and then used for all the other samples’ simulation. The results show that the ductility and fracture locations predicted from simulations agree well with the experimental results. This indicates that the developed 3D extrinsic modeling method may be used to examine the influence of various aspects of pore sizes/distributions as well as intrinsic properties (i.e., matrix properties) on the ductility/fracture of Mg castings.

Ductility↗
DOE OSTI2016

Finite element model for brittle fracture and fragmentation

A new computational model for brittle fracture and fragmentation has been developed based on finite element analysis of non-linear elasticity equations. The proposed model propagates the cracks by splitting the mesh nodes alongside the most over-strained edges based on the principal direction of strain tensor. To prevent elements from overlapping and folding under large deformations, robust geometrical constraints using the method of Lagrange multipliers have been incorporated. In conclusion, the model has been applied to 2D simulations of the formation and propagation of cracks in brittle materials, and the fracture and fragmentation of stretched and compressed materials.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A matrix-free approach for finite-strain hyperelastic problems using geometric multigrid

This paper investigates matrix-free algorithms for problems in quasi-static finite-strain hyperelasticity. Iterative solvers with matrix-free operator evaluation have emerged as an attractive alternative to sparse matrices in the fluid dynamics and wave propagation communities because they significantly reduce the memory traffic, the limiting factor in classical finite element solvers. Specifically, we study different matrix-free realizations of the finite element tangent operator and determine whether generalized methods of incorporating complex constitutive behavior might be feasible. Furthermore, in order to improve the convergence behavior of iterative solvers, we also propose a method by which to construct level tangent operators and employ them to define a geometric multigrid preconditioner. Additionally, the performance of the matrix-free operator and the geometric multigrid preconditioner is compared to the matrix-based implementation with an algebraic multigrid (AMG) preconditioner on a single node for a representative numerical example of a heterogeneous hyperelastic material in two and three dimensions. We find that matrix-free methods for finite-strain solid mechanics are very promising, outperforming linear matrix-based schemes by two to five times, and that it is possible to develop numerically efficient implementations that are independent of the hyperelastic constitutive law.

42 ENGINEERING↗
DOE OSTI2015

Bi-directional evolutionary optimization for photonic band gap structures

Toward an efficient and easy-implement optimization for photonic band gap structures, this paper extends the bi-directional evolutionary structural optimization (BESO) method for maximizing photonic band gaps. Photonic crystals are assumed to be periodically composed of two dielectric materials with the different permittivity. Based on the finite element analysis and sensitivity analysis, BESO starts from a simple initial design without any band gap and gradually re-distributes dielectric materials within the unit cell so that the resulting photonic crystal possesses a maximum band gap between two specified adjacent bands. Numerical examples demonstrated the proposed optimization algorithm can successfully obtain the band gaps from the first to the tenth band for both transverse magnetic and electric polarizations. Some optimized photonic crystals exhibit novel patterns markedly different from traditional designs of photonic crystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Second-Order Invariant Domain Preserving ALE Approximation of Euler Equations

Abstract An invariant domain preserving arbitrary Lagrangian-Eulerian method for solving non-linear hyperbolic systems is developed. The numerical scheme is explicit in time and the approximation in space is done with continuous finite elements. The method is made invariant domain preserving for the Euler equations using convex limiting and is tested on various benchmarks.

Guermond, Jean-Luc↗
DOE OSTI2022

Monitoring of mechanical changes in a pipe assembly with complex geometry using multi-mode acoustic signals

Guided wave ultrasonic testing has been widely used for nondestructive and long-range evaluation of diverse mechanical structures, such as pipes and plates. In general, a large number of guided wave modes exist even in the simplest geometries, and they exhibit highly dispersive characteristics. Thus, sophisticated excitation methods and elaborate modal analyses need to be implemented to excite, acquire, and process well-defined pure modes as part of such a measurement method. If the interrogated structure has complex geometry, for example, with cross-sectional variations or multiple joints, the utilization of pure modes becomes significantly more difficult. To overcome this difficulty, this paper proposes the use of multi-mode, multi-frequency guided waves for long-range inspection of structures with arbitrarily complex geometries. Furthermore, using broadband chirp signals and multi-mode time–frequency analysis in a prototypical complex pipe assembly that includes multiple pipe diameters, elbows, and flange connections, we experimentally show sensitive detection of mechanical changes (both material addition and loss). In addition, we demonstrate that the complexity of the structure can be modeled in the digital domain with sufficient detail to allow accurate numerical simulation of the acoustic response using this method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A full-ring variable-aperture cadmium zinc telluride system for whole-body single photon emission computed tomography: realistic simulations with phantoms

Single photon emission computed tomography (SPECT) is an imaging modality that has demonstrated its utility in a number of clinical indications. Despite this progress, a high sensitivity, high spatial resolution, multi-tracer SPECT with a large field of view suitable for whole-body imaging of a broad range of radiotracers for theranostics is not available. Purpose We have designed a cadmium zinc telluride (CZT) variable-aperture full-ring SPECT scanner instrumented with a broad-energy tungsten collimator intended to fill this technological gap. The final purpose is to provide a multi-tracer solution for brain and whole-body imaging. Our static SPECT scanner breaks the paradigm of the standard dual- and triple-head rotational SPECT systems, utilizing a larger detector area in each scan increasing the sensitivity. We provide a demonstration of the performance of our design using a realistic model of our detector with simulated body-sized 99mTc phantoms. Methods We developed a realistic model of our detector by using a combination of a Geant4 Monte Carlo simulation and a CZT detector response model based on a finite element model. Our approach models the characteristic low-energy tail effect in CZT that noticeably affects the sensitivity and the quality of the scatter correction in CZT detectors. We implement a modified dual energy window scatter correction adapted to include the CZT low-energy tail effect. A dedicated correction is also developed to eliminate the undesirable truncation observed in images given the presence of detector edges and gaps between detectors, due to the non-rotational nature of our device. Corrections for the attenuation, detector response and the presence of collimators are also included. The images are reconstructed using the maximum-likelihood expectation-maximization algorithm implemented in the reconstruction open software STIR. Detector and reconstruction performance are characterized with a Derenzo phantom and a body-sized National Electrical Manufacturers Association (NEMA) Image Quality (IQ) phantom containing 99mTc. Results Our SPECT design can resolve 6.4mm rods in a Derenzo phantom and obtain a good image contrast with the IQ phantom. Explicit testing of the gap and edge correction is provided, showing an excellent performance in eliminating the image truncation artifacts. Our modified scatter correction shows no overestimation of the contrast-recovery ratio for our realistic CZT detector model, as opposed to the cases without correction and with a standard dual-energy window scatter correction. Conclusions In this paper, we further demonstrate the performance of our design for whole-body imaging purposes. This adds to our previous demonstration of improved qualitative and quantitative 99mTc imaging for brain perfusion and 123I imaging for dopamine transport with respect to state-of-the-art NaI dual-head cameras. We show that our design performs similarly to the VERITON SPECT from Spectrum Dynamics, a commercial full-ring CZT SPECT camera, with the potential advantage of the broader energy range of application given by our custom-design tungsten collimators. Here, our device combines high sensitivity and image resolution with a broad-energy imaging application for the purpose of clinical imaging and theranostics of emerging radionuclides.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

An n -material thresholding method for improving integerness of solutions in topology optimization

It is common in solving topology optimization problems to replace an integer-valued characteristic function design field with the material volume fraction field, a real-valued approximation of the design field that permits "fictitious" mixtures of materials during intermediate iterations in the optimization process. This is reasonable so long as one can interpolate properties for such materials and so long as the final design is integer valued. For this purpose, we present a method for smoothly thresholding the volume fractions of an arbitrary number of material phases which specify the design. This method is trivial for two-material design problems, for example, the canonical topology design problem of specifying the presence or absence of a single material within a domain, but it becomes more complex when three or more materials are used, as often occurs in material design problems. We take advantage of the similarity in properties between the volume fractions and the barycentric coordinates on a simplex to derive a thresholding, method which is applicable to an arbitrary number of materials. As we show in a sensitivity analysis, this method has smooth derivatives, allowing it to be used in gradient-based optimization algorithms. Finally, we present results, which show synergistic effects when used with Solid Isotropic Material with Penalty and Rational Approximation of Material Properties material interpolation functions, popular methods of ensuring integerness of solutions.

42 ENGINEERING↗
DOE OSTI2018

Deformational Features and Microstructure Evolution of Copper Fabricated by a Single Pass of the Elliptical Cross-Section Spiral Equal-Channel Extrusion (ECSEE) Process

The objectives of this work are to study the deformational feature, textures, microstructures, and dislocation configurations of ultrafine-grained copper processed by the process of elliptical cross-section spiral equal-channel extrusion (ECSEE). The deformation patterns of simple shear and pure shear in the ECSEE process were evaluated with the analytical method of geometric strain. The influence of the main technical parameters of ECSEE die on the effective strain distribution on the surface of ECSEE-fabricated samples was examined by the finite element simulation. The high friction factor could improve the effective strain accumulation of material deformation. Moreover, the pure copper sample fabricated by ECSEE ion shows a strong rotated cube shear texture. The refining mechanism of the dislocation deformation is dominant in copper processed by a single pass of ECSEE. The inhomogeneity of the micro-hardness distribution on the longitudinal section of the ECSEE-fabricated sample is consistent with the strain and microstructure distribution features.

36 MATERIALS SCIENCE↗