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At least 919 records · Page 51

EMPHASIS™/Nevada Unstructured FEM Implementaiton Version 2.1.3. Description, verification, and validation

EMPHASIS™/NEVADA is the SIERRA/NEVADA toolkit implementation of portions of the EMPHASIS TM code suite. The purpose of the toolkit implementation is to facilitate coupling to other physics drivers such as radiation transport as well as to better manage code design, implementation, complexity, and important verification and validation processes. This document describes the theory and implementation of the unstructured finite- element method solver, associated algorithms, and selected verification and validation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal / structural analysis of the HB 650 thermal shield

Fermilab’s PIP-II project’s superconducting linear accelerator will drive the next generation of particle accelerators through a revolution in beam intensity. Key to beam intensification are the high efficiencies of niobium-tin superconducting radiofrequency (SRF) cavities operating at cryogenic temperatures near 5 Kelvin. A multifaceted approach is employed to achieve and maintain the extreme temperature. Vacuum provides the first barrier to thermal convection. Physical thermal intercept zones further isolate the exterior shell vacuum vessel at 300 Kelvin from the supercooled beamline. The first thermal intercept lies just inside the exterior vacuum vessel forming the 40 Kelvin zone. This 40K thermal shield is the focus of this investigation. In preparation for operation, the thermal shield is cooled from 300K to 40K in a slow process over 2-1/2 days. The factors limiting the cooling rate are a high thermal gradient which produces thermal strain and high mechanical stress. D ecreasing the time required to reach operational temperatures is the desired research goal. Physical testing data and finite element method (FEM) computer models from the Single Spoke Resonator – 1 (SSR1) and Linac Coherent Light Source (LCLS-II) cryomodules will be evaluated to determine needed design changes. The thermal shield design for the High Beta 650 MHz (HB650) will be modified and analyzed using FEM computer models to determine maximum cooling rate with a target of 50 thermal cycles of life. Maximum allowable stress will be determined through low cycle fatigue calculations.

43 PARTICLE ACCELERATORS↗

Massively Parallel Capability in Sierra/SD for Simulation Vibration with Piezoelectrics

Sierra/SD is an engineering structural dynamics code that provides Sandia and other customers a tool to model structural and acoustic physics on large complex physical systems using massively parallel processing. This report provides a detailed overview on Sierra/SD’s most recent physics package: coupled electro-mechanical physics. This capability uses the finite element method to model coupled electro-mechanical physics exhibited by piezoelectric materials. This report provides an applications overview, theory overview, and verification examples demonstrating the electro-mechanical physics modeling capabilities of Sierra/SD.

97 MATHEMATICS AND COMPUTING↗

High-power ferro-electric fast reactive tuner

We present a novel design of a FerroElectric Fast Reactive Tuner (FE-FRT) capable of modulating Mega VAR reactive power on a sub-microsecond time scale. We show detailed analytical estimates of the performance of this device and benchmark these estimates against finite element method eigenmode and frequency domain electromagnetic simulations.

43 PARTICLE ACCELERATORS↗

An optimization-based strategy for peridynamic-FEM coupling and for the prescription of nonlocal boundary conditions

We develop and analyze an optimization-based method for the coupling of a static peridynamic (PD) model and a static classical elasticity model. The approach formulates the coupling as a control problem in which the states are the solutions of the PD and classical equations, the objective is to minimize their mismatch on an overlap of the PD and classical domains, and the controls are virtual volume constraints and boundary conditions applied at the local-nonlocal interface. Our numerical tests performed on three-dimensional geometries illustrate the consistency and accuracy of our method, its numerical convergence, and its applicability to realistic engineering geometries. We demonstrate the coupling strategy as a means to reduce computational expense by confining the nonlocal model to a subdomain of interest, and as a means to transmit local (e.g., traction) boundary conditions applied at a surface to a nonlocal model in the bulk of the domain.

97 MATHEMATICS AND COMPUTING↗

Initial framework for engineering-scale statistical creep-fatigue modeling

This report describes the integration of new solid and interface-cohesive mechanics systems into MOOSE. The purpose of these new systems is to support the ability of MOOSE to run full-field crystal plasticity finite element method simulations of key material processes in high temperature metallic materials. These simulations could be used to help accurately predict the performance of key high temperature structural materials in future advanced nuclear reactor components. Previous work implemented preliminary versions of many of these systems in MOOSE Apps. The current work reports on their integration into the main MOOSE tensor mechanics module along with associated improvements to the basic formulations and numerical implementations. Finally, the report provides an example of the full-field crystal plasticity simulations now possible in MOOSE, including examples of realistic geometries requiring millions of degrees of freedom to resolve the microstructural features and macroscale geometry.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An Advanced Meso-Scale Peridynamic Modeling Technology using High-Performance Computing for Cost-Effective Product Design and Testing of Carbon Fiber Reinforced Polymer Composites in Light-weight Vehicles

We study a peridynamic composite modeling technology based on the discontinuous Galerkin finite element method, implemented in the commercial LS-DYNA software, for modeling and prediction of failure in carbon fiber reinforced polymer composites. The proposed technology is developed for the material failure analysis at the meso-scale, which provides the prevailing fiber-matrix interaction mechanism, without adoption of the representative volume element method and thus avoiding complicated numerical calibration procedures. Three types of experimental tests—in-plane coupon test, out-of-plane coupon test, and a component crash test—are simulated in a high-performance computing environment to assess the performance of the proposed peridynamic composite modeling technology.

36 MATERIALS SCIENCE↗

Modeling Induction Stirring and Particle Tracking in Molten Uranium

Two independent numerical models have been developed to simulate the behavior of carbon impurities in molten uranium metal. Informed by experimental parameters, one model was created using the commercial software Star-CCM+ and compared with another developed using open-source codes, including OpenFOAM, Finite Element Method Magnetics (FEMM) and a First Passage Kinetic Monte Carlo (FPKMC) approach. The target experimental system features a 404g uranium metal charge containing an average carbon concentration of 139 ppm which was melted in a vacuum induction furnace at 1400° C then resolidified. The microstructures of the uranium and its impurities before and after melting have been characterized and reported separately. Prior to simulating the uranium-carbon system described, the numerical models were validated using a previously published nonradioactive experimental system to ensure agreement with expected output values. Focus has been placed on modeling velocity fields under induction stirring and impurity particle trajectories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Jan-Dec 2021 IC Project: w20_earthquake (Yearly Report)

The simulations conducted under this IC project used an in-house code developed at Los Alamos National Laboratory called HOSS (Hybrid Optimization Software Suite) and its extended version called HOSS-FSIS (fluid-structure interaction solver). HOSS has been under development in LANL’s Geophysics Group since 2004 and was used to simulate the signal propagation in pieces of material with pre-existing defects and also to simulate the near source effects of above ground nuclear explosions. One of the key feature of HOSS is that it is superior to pure finite element method and discrete element method implementations because it allows for a natural transition from continuum to discontinuum when the material breaks or fractures.

58 GEOSCIENCES↗

Science & Technology Review: The Road to Exascale Computing

At Lawrence Livermore National Laboratory, we focus on science and technology research to ensure our nation’s security. We also apply that expertise to solve other important national problems in energy, bioscience, and the environment. Science & Technology Review is published eight times a year to communicate, to a broad audience, the Laboratory’s scientific and technological accomplishments in fulfilling its primary missions. The publication’s goal is to help readers understand these accomplishments and appreciate their value to the individual citizen, the nation, and the world. The Department of Energy’s Exascale Computing Project (ECP) and Lawrence Livermore’s RADIUSS (Rapid Application Development via an Institutional Universal Software Stack) initiative benefit from strategically developed software tools. The front cover shows a simulation of advection under twisting rotation that uses high-order finite elements from Livermore’s Modular Finite Element Methods (MFEM) software library and GLVis visualization tool. On the back cover, the logo (also created with GLVis) for the MFEM project illustrates the curved mesh and sub-element resolution used in high-order simulations. MFEM and GLVis are key components of the ECP’s co-design Center for Efficient Exascale Discretizations (CEED) and RADIUSS. MFEM is also part of ECP’s Extreme-Scale Scientific Software Development Kit (xSDK).

97 MATHEMATICS AND COMPUTING↗

The Effect of Rolling As-Cast and Homogenized U-10Mo Samples on the Microstructure Development and Recovery Curves

Over the past several years Pacific Northwest National Laboratory (PNNL) has been actively involved in supporting the U.S. Department of Energy National Nuclear Security Administration Office of Material Management and Minimization (formerly Global Threat Reduction Initiative). The U.S. High-Power Research Reactor (USHPRR) project is developing alternatives to existing highly enriched uranium alloy fuel to reduce the proliferation threat. One option for a high-density metal fuel is uranium alloyed with 10 wt% molybdenum (U-10Mo). Forming the U-10Mo fuel plates/foils via rolling is an effective technique and is actively being pursued as part of the baseline manufacturing process. The processing of these fuel plates requires systematic investigation/understanding of the pre- and post-rolling microstructure, end-state mechanical properties, residual stresses, and defects, their effect on the mill during processing, and eventually, their in-reactor performance. In the work documented herein, studies were conducted to determine the effect of cold and hot rolling the as-cast and homogenized U-10Mo on its microstructure and hardness. The samples were homogenized at 900°C for 48 h, then later annealed for several durations and temperatures to investigate the effect on the material’s microstructure and hardness. The rolling of the as-cast plate, both hot and cold, was observed to form a molybdenum-rich and -lean banded structure. The cold rolling was ineffective, and in some cases exacerbated the as-cast defects. The grains elongated along the rolling direction and formed a pancake shape, while the carbides fractured perpendicularly to the rolling direction and left porosity between fractured particles of UC. The subsequent annealing of these samples at sub-eutectoid temperatures led to rapid precipitation of the α + γ ' lamellar phase, mainly in the molybdenum-lean regions. Annealing the samples above the eutectoid temperature did not refine the grain size or the banded microstructure. However, annealing the samples led to quick recovery in hardness as evidenced by a drop in Vickers hardness of 20%. Hot rolling was performed at 650 and 800°C. The hot-rolling mill loads (load separation force) were approximately 40 to 50% less than the cold-rolling for the same reduction and thickness. It was observed that hot rolling the samples with 50% or more reduction in thickness were responsible for dynamic recrystallization in the hot-rolled samples and led to grain refinement. Unlike the cold-rolled samples, the hot-rolled samples did not fracture the carbides and appeared to heal the casting defects. The recovery phenomenon was similar to the cold-rolled samples above the eutectoid temperatures, but owing to the refined grain size, the precipitation of the lamellar phase was far more rapid in these samples and the hardness increased more rapidly than in the cold rolled sample when heated below the eutectoid temperature. The data generated from these rolling efforts has been used to make the process modeling efforts more robust and applicable to all USHPRR partner rolling mills. The flow stress for cold rolling the samples was determined to be between 170-190 ksi, with frictional forces between 0.2 and 0.4 for the PNNL mill. The measured roll separation forces and those simulated using finite element methods for hot and cold rolling for the PNNL rolling mill were in good agreement.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Introduction to Finite Element Analysis: Abaqus Tutorial [Slides]

Abaqus is a suite of powerful engineering simulation programs, based on the finite element method, that can solve a variety of problems, ranging from simple to complex, including the fields of: Structural mechanics, Structural dynamics, Thermodynamics, Heat transfer, and more

42 ENGINEERING↗

Multi-Objective Adaptive Mesh Refinement Using Reinforcement Learning

Finite element methods approximate the solution to a partial differential equation (PDE) on a mesh consisting of many elements. In general, using more, smaller elements results in a lower error in the approximation. However, it is often possible to lower the error substantially by only refining, or decreasing the size of, the few elements in the mesh that have the highest error. Adaptive mesh refinement (AMR) is a process that selectively refines regions of a mesh with high error to achieve a desired accuracy in as few degrees of freedom (DOFs) as possible. AMR is favorable compared to uniform refinement, which refines all elements of the mesh equally, because it can often achieve the same accuracy without wasting extra computation time on refinement of elements that already have low error. However, it is difficult to know which elements to refine. In this report we explore ways to choose which elements to refine such that we minimize both the resulting error and the cumulative DOFs used in computation. In particular, we introduce a Pareto-front learning algorithm that trains a policy to give the optimal refinement actions to minimize the cumulative DOFs used to achieve a given target error. Such a policy is useful because it can be deployed on many different problem types where different accuracy levels are desired. Furthermore, training a single policy for a range of target errors allows us to use transfer learning to reduce the required training time.

97 MATHEMATICS AND COMPUTING↗

Percheron Power Archimedes Screw Turbine Analysis (Abstract)

The development of the Percheron Power (Percheron) composite Archimedes screw turbine (AST) is based upon employing newly developed theoretical mathematical models for optimizing the water volume carried through the AST for a given diameter, combined with minimizing efficiency losses due to bypass flow and friction. The key feasibility issues associated with producing the composite blades will be to understand the strength, fatigue, and wear performance of the AST blades and associated components, and how these factors change along the length of the turbine. To get to this understanding of material property requirements, Percheron needs free-surface computational fluid dynamics (CFD) models of the AST designs and to perform interactive modeling between the turbine blade optimization and component design based on finite element method stress analysis (FEA). The workscope and analyses requested by Percheron in the Small Business Voucher (SBV) program are well aligned with PNNL capability and recent work experience in performing CFD and FEA analysis for hydropower and marine energy turbines. The CFD analysis will provide estimates of power, efficiency, and surface forces on the blades. The forces on the blade will be transferred to the FEA analysis that will be used to evaluate the material stresses. The CFD and FEA analyses will be repeated for different AST designs provided to PNNL by Percheron. The work conducted in this SBV project will complement the existing Percheron FOA project by providing better defined parameters for design and material selection for the turbine unit prior to manufacture of initial test units.

42 ENGINEERING↗

Context-Aware Learning for Inverse Design in Photovoltaics

This document describes progress in the ARPA-E DIFFERENTIATE project titled “Context-Aware Learning for Inverse Design in Photovoltaics” during the period of May 2019 to May 2022. This project is being performed at Iowa State University, New York University, Stanford University, and National Renewable Energy Laboratory. The project aims to develop a new machine learning (ML) framework to significantly accelerate the design of organic microstructures for improved organic photovoltaic performance. In this project, we had developed an inverse design framework using Deep Learning called InvNets for generating microstructures with desired physics-driven properties. As a preliminary product, in Milestone 3, we demonstrated how InvNets show 20% improvement in the performance of the microstructures and over 100X speedup in the performance compared to traditional processes for physics-driven inverse design. Later, in Milestone 6, we demonstrated that InvNets work for more complex physics properties, specifically, generating microstructures for organic photovoltaic cells with desired current-voltage characteristics. Further, in Milestone 4, we explored the idea of using physics-aware surrogates for obtaining solutions of partial differential equations(PDE) called as DiffNets(now called as NeuFENets to avoid ambiguity of names). The connection between both frameworks is that DiffNet surrogates form the physics-aware surrogate in the InvNet framework. Finally in Milestone 8, we extend our framework for other physics domains. Specifically, we explore building geometry-aware NeuFENets by developing physics surrogates that exploit ideas from traditional immersed boundary finite element methods. With these updates, we are able to achieve all the Milestones.

36 MATERIALS SCIENCE↗

Initial Demonstration of New Griffin Technologies for Simulating the Running-In Phase of Pebble Bed Reactors

Griffin is a reactor multiphysics modeling application based on MOOSE (Multiphysics Object-Oriented Simulation Environment) and specifically targeting transient modeling of advanced reactors. Griffin has been used recently to model pebble-bed reactors for the Nuclear Regulatory Commission (NRC) Office of Nuclear Regulatory Research and the Advanced Reactor Technology program. This modeling work has focused thus far on the direct calculation of equilibrium cores. This report documents an initial demonstration of a new running-in simulation capability. The new running-in capability is verified using the existing direct equilibrium core calculation capability. A simplified pebble-bed reactor model is then used to demonstrate the running-in simulation capability. This demonstration shows that Griffin is able to simulate years of operation during the running-in phase efficiently with each depletion step taking only several seconds. Two new technologies are also presented in this report which have been developed in Griffin that will be essential for improved accuracy both of the direct equilibrium core computation and the new running-in simulation capability. The first technology is an online cross section generation capability specifically targeted for pebble-bed reactors. This will improve the accuracy of the depletion calculation as the cross sections are generated at the exact core status. This also avoids the difficult step of pre-generating a separate standalone multigroup cross section set. Secondly, a newly implemented discretization for discontinuous finite element method (DFEM) SN transport in cylindrical (RZ) coordinates, which can be solved efficiently using the existing SN sweep solver, is discussed and some results are shown demonstrating the usefulness of the additional accuracy transport provides over a diffusion approximation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of Graphite Thermal and Mechanical Modeling Capabilities in Grizzly

Nuclear-grade graphites are used extensively in the core designs of multiple types of advanced nuclear reactors. In the reactor environment, graphite is exposed over long durations to extreme conditions, including high temperatures, radiation and potentially molten salt and oxygen. Exposure to these conditions can cause several degradation mechanisms in graphite, including nonuniform volumetric strains induced by irradiation and thermal expansion, which lead to stresses that can compromise the performance of graphite components. Evaluating component integrity, predicting component performance over the reactor lifetime, and developing design standards all require robust tools for predicting fracture initiation and propagation in graphite structural components in nuclear reactors. This report documents progress in an ongoing effort to develop modeling and simulation tools in the Grizzly code for predicting the performance of graphite exposed to reactor conditions. Recent developments include a set of thermal and mechanical models that now include the IG-110, NBG-18, and H-451 graphite grades. Improvements have also been made to a nonlinear damaged plasticity model applicable to predicting damage under tension and compression to quasibrittle materials, including graphite. In addition, enhancements have been made to the extended finite element method implementation targeted at simulating graphite fracture. These include new capabilities for crack nucleation in the interior of a solid body, improved treatment of crack nucleation on free surfaces, and more robust modeling approaches for crack growth approaching free surfaces or other cracks.

36 MATERIALS SCIENCE↗

Irradiation of Advanced Cladding Specimens in the High Flux Isotope Reactor: Capsule Designs and Test Matrix

The Advanced Fuels Campaign (AFC) has initiated the Advanced Reactor Cladding (ARC) irradiation campaign to generate irradiation performance data for candidate fuel cladding concepts. The campaign includes a diverse set of ferritic/martensitic steels, oxide dispersion strengthened (ODS) alloys, FeCrAlbased alloys, coated materials, and welded cladding specimens produced through multiple US Department of Energy (DOE) programs and international collaborations. Three complementary experimental thrusts comprise the campaign: tensile testing (ARC Tensile) to rapidly screen candidate alloys, fracture toughness testing (ARC Fracture) to evaluate irradiation effects on crack resistance, and tubular weld testing (ARC Weld) to quantify irradiation-induced changes in the mechanical performance of end cap welds. This report documents the irradiation campaign design, including the selected materials, specimen types, irradiation matrix, and capsule designs for irradiation within the High Flux Isotope Reactor (HFIR). A total of 14 irradiation capsules were developed to achieve target irradiation temperatures between 300°C and 600°C and doses up to 30 dpa. Thermal analyses were performed using finite element methods to establish capsule geometries capable of achieving the desired specimen temperatures while accommodating differences in specimen geometry and material properties. The resulting capsule designs provide the basis for irradiation of the AFC-ARC experimental matrix and subsequent post-irradiation examination to assess the effects of neutron irradiation on advanced cladding materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗