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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 325 records · Page 18

Crack Growth Rate at Oxygen Electrode/Electrolyte Interface in Solid Oxide Electrolysis Cells Predicted by Experiment Coupled Multiphysics Modeling

Solid oxide electrolysis cell (SOEC) is a very efficient hydrogen production technology, but the cell degradation is a serious limiting factor for its long-term implementation. Oxygen electrode (OE) delamination is reported to be the critical degradation mechanism. In this study, we present a methodology to understand the delamination failure of the OE due to chemical stress in a better perspective. Several OE configurations were tested: baseline strontium-doped lanthanum cobalt iron oxide (LSCF) single layer design and tantalum-doped strontium cobalt oxide (SCT) - LSCF bilayer designs with different SCT loadings. An electro-chemo-mechanical model is developed to associate the electrochemical behavior of the cell with solid mechanics for calculating crack growth of the cell during long term test. The bilayer configuration with SCT 20 wt% has better performance as it survived in the long-term life test with the least crack length. This study implies that an additional nano-coating of SCT over the OE have improved the species transport and oxygen evolution with reduced chemical stress. As the operating current density decreases, it takes longer time for the cell to reach the delamination with the same critical crack length of 6.5 μ m (∼93% of the electrode/electrolyte interface length). Finally, it was concluded that chemical stress plays a significant role in interface delamination failure, however it may not be the only source of stresses at the interface.

08 HYDROGEN↗

Multiphysics Engineering Analysis for an Integrated Design of ITER Diagnostic First Wall and Diagnostic Shield Module Design

ITER diagnostic first walls (DFWs) and diagnostic shield modules (DSMs) inside the port plugs (PPs) are designed to protect diagnostic instrument and components from a harsh plasma environment and provide structural support while allowing for diagnostic access to the plasma. The design of DFWs and DSMs are driven by 1) plasma radiation and nuclear heating during normal operation 2) electromagnetic loads during plasma events and associate component structural responses. A multi-physics engineering analysis protocol for the design has been established at Princeton Plasma Physics Laboratory and it was used for the design of ITER DFWs and DSMs. The analyses were performed to address challenging design issues based on resultant stresses and deflections of the DFW-DSM-PP assembly for the main load cases. ITER Structural Design Criteria for In-Vessel Components (SDC-IC) required for design by analysis and three major issues driving the mechanical design of ITER DFWs are discussed. The general guidelines for the DSM design have been established as a result of design parametric studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multiphysics FISPACT-II and TENDL-2019 simulation: neutron-induced damage metrics

Nuclear interactions can be the source of atomic displacement, irradiation-induced defects and transmutation in structural materials. Such quantities are derived from, or can be correlated to, nuclear kinematic simulations of primary atomic energy distributions spectra and the quantification of the numbers of secondary defects produced per primary as a function of the available recoils, residual and emitted, energies. Recoil kinematics of neutral, residual, gas, proton, alpha particle emissions are now more rigorously treated based on recent, complete and enhanced nuclear data parsed in state-of-the-art processing tools. Defect production metrics are the starting point in the complex problem of correlating and simulating the behaviour of materials under irradiation, as experimental information is rare or scattered. Detailed, segregated primary knock-on-atom metrics are now becoming available as the starting point of further simulation processes of isolated and clustered defects in material lattices. This allows more materials, lattices, neutron incident energy ranges, and irradiation conditions to be explored with sufficient data to adequately cover both standard and novel applications and materials: the broader reactor applications landscape. The damage metrics of of materials are systematically explored under typical but different reactor's type environment. The inventory code FISPACT-II combined with the enhanced nuclear data forms of the TENDL-2019 libraries allow one to not only calculate dpa from mostly scattering events but to also properly predict gas production, nuclear heating and transmutation under the same conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Multiphysics simulation of supercritical CO 2 gasification for hydrogen production

A bench-scale supercritical CO 2 gasifier is being considered by the U.S. Department of Energy’s National Energy Technology Laboratory (NETL). A reacting computational fluid dynamics (CFD) model was developed using ANSYS/Fluent in order to investigate the impact of various operating parameters on syngas composition. The model was validated using available data in the literature. Simulations were conducted over a range of coal-slurry loadings, reaction temperatures, system pressures, and oxygen mass flowrates with the goal of optimizing hydrogen production for the considered reactor. The results from the simulations identified a positive correlation between slurry loading and hydrogen production, while reactor temperature and pressure had a limited impact on H 2 production at the conditions of interest. Additionally, the simulations indicated that oxygen mass flowrate has less of an impact on hydrogen production at higher slurry loadings.

08 HYDROGEN↗

The Alamo multiphysics solver for phase field simulations with strong-form mechanics and block structured adaptive mesh refinement

Alamo is a high-performance scientific code that uses block-structured adaptive mesh refinement to solve such problems as: the ignition and burn of solid rocket propellant, plasticity, damage and fracture in materials undergoing loading, and the interaction of compressible flow with eroding solid materials. Alamo is powered by AMReX, and provides a set of unique methods, models, and algorithms that enable it to solve solid-mechanics problems (coupled to other physical behavior such as fluid flow or thermal diffusion) using the power of block-structured adaptive mesh refinement.

36 MATERIALS SCIENCE↗

Full Core Multiphysics Simulation with Offline Mesh Deformation

In this report, building on previous reports issued in FY13 we describe our continued efforts to integrate thermal/hydraulics, neutronics, and structural mechanics modeling codes to perform coupled analysis of a representative fast sodium-cooled reactor core. The focus of the present report is a full core simulation with off-line mesh deformation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SHARP Multiphysics Tutorials

SHARP, developed under the NEAMS Reactor Product Line, is an advanced modeling and simulation toolkit for the analysis of advanced nuclear reactors. SHARP is comprised of three physics modules currently including neutronics, thermal hydraulics, and structural mechanics. SHARP empowers designers to produce accurate results for modeling physical phenomena that have been identified as important for nuclear reactor analysis. SHARP can use existing physics codes and take advantage of existing infrastructure capabilities in the MOAB framework and the coupling driver/solver library, the Coupled Physics Environment (CouPE), which utilizes the widely used, scalable PETSc library. This report aims at identifying the coupled-physics simulation capability of SHARP by introducing the demonstration example called sahex in advance of the SHARP release expected by Mar 2016. sahex consists of 6 fuel pins with cladding, 1 control rod, sodium coolant and an outer duct wall that encloses all the other components. This example is carefully chosen to demonstrate the proof of concept for solving more complex demonstration examples such as EBR II assembly and ABTR full core. The workflow of preparing the input files, running the case and analyzing the results is demonstrated in this report. Moreover, an extension of the sahex model called sahex_core, which adds six homogenized neighboring assemblies to the full heterogeneous sahex model, is presented to test homogenization capabilities in both Nek5000 and PROTEUS. Some primary information on the configuration and build aspects for the SHARP toolkit, which includes capability to auto-download dependencies and configure/install with optimal flags in an architecture-aware fashion, is also covered by this report. A step-by-step instruction is provided to help users to create their cases. Details on these processes will be provided in the SHARP user manual that will accompany the first release.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

(Project 13-5292) Correlating thermal and mechanical coupling based multiphysics behavior of nuclear materials through in-situ measurements

Irradiations and post characterization experiments were performed first on Zr samples. This step will help understand the effect of the 2.5% alloying elements on the behavior of Zircaloy-4 (PWR cladding material) when compared to pure Zr. Irradiation flux measurements and sample temperature calibrations were performed at different energies prior to the irradiation experiments. Irradiations were performed with two different energy regimes1: non-displacment energies and displacement energies. Time was also dedicated to optimize transmission electron microscopy (TEM) sample preparation conditions via electropolishing technique. This step is crucial to prepare TEM samples for the in-situ TEM/irradiation experiments (Year 2). In addition, Zircaloy-4 samples are being prepared for irradiation, and a setup is built by one of our collaborators (Dr. Mert Efe) to prepare ultrafine (UF) and nanocrystalline (NC) Zircaloy-4 samples for comparison with the commercial Zircaloy-4 samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. To resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. In this study, the authors demonstrate the use of concurrent multi- scale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeled with a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J 2 plas- ticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. Beyond cases studies in concurrent multiscale, we explore progress in crystal plastic- ity through modular designs, solution methodologies, model verification, and extensions to Sierra/SM and manycore applications. Advances in conformal microstructures having both hexahedral and tetrahedral workflows in Sculpt and Cubit are highlighted. A structure-property case study in two-phase metallic composites applies the Materials Knowledge System to local metrics for void evolution. Discussion includes lessons learned, future work, and a summary of funded efforts and proposed work. Finally, an appendix illustrates the need for two-way coupling through a single degree of freedom.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

(Project 14-6770) An Investigation to Establish Multiphysical Property Dataset of Nuclear Materials Based on in-situ Observations and Measurements

In-core nuclear materials including fuel pins and cladding materials fail due to issues including corrosion, mechanical wear, and pellet cladding interaction. In most such scenario microstructure dependent and corrosioninduced chemistry dependent property changes significantly affect performance of cladding, pellet, and housing. Emphasis of this work was on replace conventional pellet-cladding material models with a new straingradient viscoplasticity model that is informed by transmission electron microscopy (TEM) based measurements and by nanomechanical Raman spectroscopy (NMRS) based measurements. The TEM measurements are quantitative in nature and therefore reveal stress-strain relations with simultaneous insights into mechanisms of deformation at nanoscale. The NMRS measurements reveal the similar information at mesoscale along with additional information on relating local microstructural stresses with applied stresses. The resulting information is used to fit constants in the strain gradient viscoplasticity model as well as to validate one. During TEM measurements, a micro-electro-mechanical system based setup was developed with mechanical actuation, sensing, heating, and electrical loading. Contrary to post-mortem analysis or qualitative visualization, this setup combines direct visualization of the mechanisms behind deformation with measurement of stress, strain, thermal and electrical properties. The unique research philosophy of visualizing the microstructure at high resolution while measuring the properties led to fundamental understanding in grain size and temperature effects on measured mechanical properties such as fracture toughness. A key contribution is the role of mechanical loading boundary conditions to deconvolute the insitu TEM based nanoscale and NMRS based mesoscale data to bulk behavior. First the literature based pellet cladding mechanical interaction model based on the work of Retel’s and Williamson’s in literature work to predict tempurature and stress distribution in cladding and pellet at normal operating condition was analyzed. Later the data was fitted to find constants for a viscoplastic strain gradient model. The developed model still needs to be refined and calibrated using various experimental results. That remains the focus of future work. Overall, a major thrust of the work was therefore on active control of the microstructure (grain size, defect density and types) exploiting the multi-physics coupling in materials. In particular, using experiments the synergy of current density, mechanical stress and temperature were studied to annihilate defects and recrystallize grains. The developed model is being examined for implementation in BISON. Multiple invited talks, international journal publications, and conference publications were performed by students supported on this work. Another output is support multiple PhD and masters thesis students who will be an important asset for future basic nuclear research. Future Work Recommendations: A nuclear reactor operates under significant variations of thermal loads due to energy cycling and mechanical loads due to constraint effects. Significant thermal and chemical diffusion takes place at the pallet-cladding level. While the proposed work established new experimental approach and new dataset for Zircaloy-4, the irradiation level was in the range of 1-2 dpa. Samples with higher dpa need to be examined. Therefore, a continual of support of the performed work is essential. Currently, these are the only experiments that can measure the produced data. The work also needs to be extended to different fuel types and cladding types such as SiC and FeCrAl based claddings. A combination of datasets for these materials can then be used to analyze accurately predict behavior of critical pellet cladding systems in accident scenario with high heat flux and high thermal loads. This is a BIG unknown as if now.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Calculation of Helium Coolant Behavior in A Single Cooling Channel in MHTGR Reflector Region During Pressurized Conduction Cooldown Scenario Using the COMSOL Multiphysics Code

The objective of the calculation performed and discussed in this report was to examine the behavior of the helium flow through a single cooling channel in the modular high-temperature gas-cooled reactor (MHTGR) core during a pressurized conduction cooling scenario (PCC). The region of interest for the single cooling channel flow calculation is in the upper reflector blocks. Flow from the upper reflector blocks, during the PCC scenario, moves upward and into the upper plenum.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Development of Critical Experiments to Provide Validation Data for Multiphysics Coupling Methods (Final Report)

Computational simulation has become one of the most important tools in the modern toolbox for nuclear reactor design. Reactor simulations, like the reactors themselves, involve multiple physical processes including neutronics, fluid flow and heat transfer (thermal-hydraulics), thermo-mechanics, fuel behavior, chemistry, and balance of plant. Each process can affect the behavior of the others, and advanced computational tools have been developed that couple separate physics models together to simulate the feedback effects. The objective of this work is to generate experimental data to support the validation of multi-physics reactor codes. It specifically targets the SHARP toolset from the NEAMS Reactor Product Line, but it is intended to be useful in any set of coded that couples thermal-hydraulics with neutronics simulations. The project takes advantage of the inherent flexibility of the RPI Reactor Critical Facility (RCF), a low power open-pool research reactor. The standard configuration of the RCF is used to explore the effects of moderator temperature on neutronic behavior and reactivity. Because the low power of the reactor generates no appreciable temperature change in the moderator, the moderator temperature is artificially changed with two 18 kW electric immersion heaters. The temperature feedback effects can be observed by recording the change in the reactor power as the reactor goes from a supercritical state, to critical, to a subcritical state. To expand the temperature range and temperature rate of change that can be investigated, an experimental apparatus consisting of a heated water loop was designed and installed in the RCF. In this setup, water from a heated reservoir tank is pumped through a pipe placed through the center of the reactor core. The water in the reservoir can be heated to around 70 °C and pumped through the system. The pump has a variable flow rate and electronic control, so a number of scenarios can be developed. A slug of water can be pushed through the system to generate a reasonably fast change in reactivity. The pump speed can be increased or decreased over the course of a measurement, or even oscillated at different periods, to observe the response of the reactor. To complement the experimental data generated by the RCF, a set of computational models have been developed. They are intended to illustrate the usefulness of the experimental data generated in validating coupled multi-physics simulations. A model previously constructed in MCNP has been used in conjunction with safety analysis at the RCF for many years and was modified to support the design of the heated water loop experiment. This model was translated into Serpent 2, a similar Monte Carlo code, which provided the added advantage of being able to produce collapsed cross-section data files for use in the deterministic neutron transport codes that are part of the SHARP toolset. A complete reconstruction of the RCF model, both with and without the heated fluid loop experiment, were necessary for use with the SHARP codes, PROTEUS (neutronics) and Nek5000 (thermal hydraulics), as these require an unstructured mesh format to operate. The computational requirements for fully coupled three dimensional simulations are significant, and challenges to full implementation and comparison with RCF experiments remain. A wide variety of experiments have been conducted for eventual benchmarking and validation of multi-physics reactor codes. A complete database of detailed time- and temperature-dependent measurements have been generated and stored. Several examples of the experimental results are presented here, with refinement and analysis of experiments ongoing. While these experiments still only address a finite range of operating conditions, in particular being limited to water in the sub-boiling regime, they represent a unique (to date) look at the feedback between temperature and neutronic behavior suited for validation of the coupling routines in multi-physics codes. It is hoped that these will be the foundation of future benchmarks that will provide confidence in the tools that will be used to develop the next generation of nuclear reactor systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Transient Multiphysics with MAMMOTH and Bison

This is a poster for the Young Research Association poster presentation happening July 19 in EROB. The poster is about my PhD research and my internship project.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗