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At least 91 records · Page 5

THERMAL STRESS ANALYSIS OF A SPENT NUCLEAR FUEL CANISTER

The potential for chloride induced stress corrosion cracking (CISCC) in spent nuclear fuel dry storage canisters is a current topic of research by the US Department of Energy Spent Fuel and Waste Science and Technology program. One of the important prerequisites for CISCC is a tensile residual stress state. This study utilizes computational models to provide an initial analysis of thermal stresses in a generic spent nuclear fuel canister. A STAR-CCM+ thermal fluid model provides a temperature profile analysis of the canister based on four different ambient temperature conditions. An ANSYS APDL finite element model incorporates the temperature profiles to analyze the thermal stresses in the canister. The calculated thermal stress magnitudes are in the range of 10 MPa to 80 MPa, which could be significant for crack propagation through the canister wall. The maximum thermal stress is not a concern for the structural failure of the canister, but it is high enough that it is a significant contribution to the total stress state of the canister wall, which also includes residual stress from fabrication, internal pressure from helium cover gas, and potential transient mechanical loads, such as earthquakes. This paper describes the initial finite element thermal stress analysis that was completed in 2020, reports the initial findings, and identifies areas where model refinement is still needed to complete this work in the future.

Jensen, Ben J.↗

X-ray CT characterization and fracture simulation of ASR damage of glass particles in alkaline solution and mortar

The alkali-silica reaction (ASR) damage in reactive aggregates affects the long-term durability of the concrete infrastructure. The generated ASR gel can expand by imbibing water from the pore solution and the resulting expansion pressure causes the aggregate fracture. This study aims to simulate the development of ASR damage in glass particles of two types of samples (glass in alkali solution and glass mortars). The dynamic micro X-ray CT technique was conducted to monitor the crack propagation in glass aggregates at different reaction stages (up to 64 hrs). The Boundary Element Method (BEM) and Displacement Discontinuity Method (DDM) were used to efficiently simulate the crack propagation within irregular glass particles under gel expansion pressures. The aggregate boundaries were built with the BEM elements and the initial cracks were meshed with the DDM elements. The estimated expansion pressure was applied to the initial crack surfaces. The discontinuous displacements and stresses were calculated along the crack path and crack tip. The mixed-mode Stress Intensity Factors (SIFs) were calculated based on plane stress conditions. The maximum circumferential stress criteria was used to simulate the propagation of cracks along a specific angle. The simulation results include the simulated crack path and the combined SIFs changing with the increments. With the estimate expansion pressure, the glass particle damages were simulated within conditions of alkali solution and confined motar samples. The predicted crack propagation path was compared with the X-ray CT imaging data. The comparison results demonstrate the DDM has the ability to predicting the ASR damage propagation inside aggregates.

36 MATERIALS SCIENCE↗

Deformation accommodating periodic computational domain for a uniform velocity gradient

Many multiscale methods for granular materials use periodic computational domains to consider particle scale interactions and then calculate the stress to drive the continuum scale calculations. For problems involving large material deformations, the computation domain often needs to be reinitialized because of the distortion, causing the loss of the history information of the system. This work introduces an algorithm to accommodate a large deformation of the material while maintaining the computational domain cuboid to avoid the domain reinitialization during the computation. The algorithm uses a rotating frame of reference, in which the velocity gradient can be represented by an upper triangular matrix. The deformation caused by the upper triangular matrix is treated by the image system implied in the periodicity to maintain the computational domain cuboid. The effect from the rotation of the reference frame is considered using the inertial forces. Finally, simulations of simple and pure shear motions are carried out to illustrate the algorithm.

42 ENGINEERING↗

Microstructure and deformation behavior of nickel based superalloy Inconel 740 prepared by electron beam smelting

Electron beam smelting (EBS) has been used to fabricate the Inconel 740 superalloy. Microstructures, hardness, and deformation characteristics of the alloy are studied. It is observed that carbides and fine secondary phase nuclei are distributed in the hot worked EBS 740 superalloy. The Ostwald ripening occurs during solution treatment and leads to aggregation of the γ′ precipitates, the size of γ′ precipitates varies from several nanometers to more than one hundred nanometers as a result. The average size of the secondary phase is < 30 nm after aging treatment and the average Vickers hardness is measured to be about 370. The critical shear stress is calculated to be 0.627 GPa with governing mechanism of shearing, causing a stronger strengthening effect than the traditionally prepared Inconel 740 superalloy. The compression behavior indicates that the EBS 740 superalloy shows higher flow stress than 740H at low Zener-Hollomon parameter, which may arise from the undissolved γ′ precipitates and higher activation energy Q. The tensile results show that the fracture surface exhibits a ductile fracture pattern, in contrast to no obvious plastic deformation on the macroscopic fracture. Crack propagation proceeds in a transgranular fracture mode with facets and voids presented on the fracture surface. - Graphical abstract: Electron beam smelting (EBS) has been used to fabricate the Inconel 740 superalloy. Microstructures, hardness, and deformation characteristics of the alloy are studied. The average size of the secondary phase is < 30 nm after aging treatment and the average Vickers hardness is measured to be about 370. The critical shear stress is calculated to be 0.627 GPa with governing mechanism of shearing, causing a stronger strengthening effect than the traditionally prepared Inconel 740 superalloy. The EBS 740 superalloy shows higher flow stress than 740H at low Zener-Hollomon parameter, which may arise from the undissolved γ′ precipitates and higher activation energy Q. The EBS technology shows encouraging potential in preparation of nickel-based superalloys. Morphologies of γ′ precipitates and Vickers hardness as well as hot compression curves for electron beam smelting 740 superalloy. - Highlights: • Electron beam smelting, a novel method, was used to prepare the Inconel 740 superalloy. • The average size of the γ′ precipitates after aging treatment is < 30 nm. • The shearing mode generates a stronger strengthening effect than the traditional 740. • At low Zener-Hollomon parameter, the EBS 740 shows higher flow stress than 740H.

36 MATERIALS SCIENCE↗

Multi-scale calculation based on dual domain material point method combined with molecular dynamics

This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crack tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.

74 ATOMIC AND MOLECULAR PHYSICS↗

Towards Using Eshelby Calculations to Enhance Kinetic Model for Zirconium Hydride Precipitation

A C++ library (called Eshelby ) was implemented in fiscal year 2015 based upon the formulas documented in this report. The library implements a generalized version of Eshelby's inclusion problem. The library was written as a set of functions which can be called from another program; the principle intended use cases are kinetic models of precipitate formation in zirconium claddings where use of the Eshelby library provides needed elastic energy density calculations, as well as calculations of stress and strain in and around precipitates; it is intended that the library will be made open source. For isotropic inclusions in the form of oblate and prolate ellipsoids, the Eshelby library can be used for nearly any relevant/appropriate shape parameters to calculate strains, stresses and energy density at interior and exterior points. The Eshelby library uses a combination of analytical formulas and numerical routines making it very extensible. For example, the library can can easily be extended to include inclusions such as spheres since analytical expressions exist for the required elliptic integrals; similarly, general ellipsoids do not have analytical results for the required elliptic integrals but those integrals can be numerically evaluated and thus fit naturally into the Eshelby library. This report documents all formulas implemented in the Eshelby library and presents some demonstration calculations relevant to the intended application.

97 MATHEMATICS AND COMPUTING↗

Modeling of deformation of battery cells using thick shell element formulation

Here, we describe a new approach for modeling nonlinear deformation and stress distribution of battery cells using a new thick shell finite element formulation with a through-thickness calculation of stresses and strains that satisfy equilibrium conditions. Battery cells are transversely layered materials that contain numerous thin layers in a repeating sequence. The layers are made of materials with significantly different mechanical responses. Explicit discretization of the layers is computationally impractical except for very small domains, while homogenized material models cannot account for stress and strain variations and partition through the thickness. The new formulation allows for calculation of the transverse and interlayer stresses based on the material properties of the individual cell layers. The application to problems where the transverse stresses have strong influence is also possible.

25 ENERGY STORAGE↗

A Simplified Procedure to Determine Post-necking True Stress–Strain Curve from Uniaxial Tensile Test of Round Metallic Specimen Using DIC

Triaxial state of stress is usually generated in the necked zone because of neck geometry, and as a consequence proper correction of true tensile stress–strain curve after necking is mandatory. Various correction factors like Bridgman, Davidenkov and Spiridonova, Siebel and Schwaigere are available in the published literature to calculate true stress from mean axial stress. Similarly true strains can be calculated from the minimum diameters of the round specimen in the necked region for various true stress levels. But experimental determination of correction factors and minimum diameters of the round specimen in the necked region is a cumbersome task. This investigation shows a simplified procedure to determine true strains and the correction factors from digital image correlation-based local strain measurement in the necked region. The present procedure is validated by experimental results of rail steel.

36 MATERIALS SCIENCE↗

A Flexure-Based Mechanism for Precision Adjustment of National Ignition Facility Target Shrouds in Three Rotational Degrees of Freedom

This study presents the design of a flexure-based mount allowing adjustment in three rotational degrees of freedom (DOFs) through high-precision set-screw actuators. The requirements of the application called for small but controlled angular adjustments for mounting a cantilevered beam. The proposed design is based on an array of parallel beams to provide sufficiently high stiffness in the translational directions while allowing angular adjustment through the actuators. A simplified physical model in combination with standard beam theory was applied to estimate the deflection profile and maximum stresses in the beams. A finite element model was built to calculate the stresses and beam profiles for scenarios in which the flexure is simultaneously actuated in more than one DOF.

3 DOF↗

Numerical calculation of the particle–fluid–particle stress in random arrays of fixed particles

Based on the nearest particle statistics [Zhang, J. Fluid Mech. 910, A16 (2021)], the phase interaction force in a multiphase flow is decomposed into a particle–mean-field force and the divergence of the particle–fluid–particle (PFP) stress. The PFP stress is proportional to the correlation product of the distance from a particle to its nearest neighbor and the force on the particle conditionally averaged on the nearest-neighbor location. In this work, a functional form of the stress is obtained corrected to the first order of the ratio between the interparticle distance and the macroscopic length scale of the flow. Particle-resolved numerical simulations are used to calculate the PFP stress in random arrays of fixed particles and to explore the physics represented by the stress. The numerical results show that the PFP stress is attractive along the direction of the flow and is repulsive in the directions perpendicular to the flow. In the flow regime simulated, this PFP stress can be considered as a macroscopic representation of the drafting–kissing–tumbling mechanism. Finally, the Reynolds stress for the fluid phase is also calculated and compared with the PFP stress.

42 ENGINEERING↗

Weak-shock wave propagation in polymer-based particulate composites

Shock waves are common in polymer-based particulate composites that are subjected to intermediate to high-velocity impact loading. However, quantitative information on the spatial variation of stress, particle velocities, and energy dissipation during the formation and propagation of weak-shock waves is limited. In this paper, a systematic experimental study is conducted to understand the characteristics of weak-shocks in polymer-bonded particulate composites. Specimens made of polymer-bonded sugar were subjected to a projectile impact loading, at varying velocities, using a modified Hopkinson pressure bar apparatus. Full-field displacement and strains of the deformed samples were obtained with the help of an ultrahigh-speed imaging and digital image correlation technique. Using the full-field displacement data, the shock wave velocity, shock front thickness, and the full-field stress fields are calculated. From the spatial stress field and the strain rate data, the spatial energy dissipation profile is also estimated. The effect of impact velocity on the spatial stress profile, shock wave velocity, and energy dissipation are discussed.

42 ENGINEERING↗

Critical processes and parameters in the development of accident tolerant fuels drop-in capsule irradiation tests

The goal of the Accident Tolerant Fuel (ATF) program is to develop the next generation of Light Water Reactor (LWR) fuels with improved performance, reliability, and safety characteristics during normal operations and accident conditions and with reduced waste generation. An irradiation test series has been defined to assess the performance of proposed ATF concepts under normal LWR operating conditions. The Phase I ATF irradiation test series is planned to be performed as a series of drop-in capsule tests to be irradiated in the Advanced Test Reactor (ATR) operated by the Idaho National Laboratory (INL). Design, analysis, and fabrication processes for ATR drop-in capsule experiment preparation are presented in this paper to demonstrate the importance of special design considerations, parameter sensitivity analysis, and precise fabrication and inspection techniques for figure innovative materials used in ATF experiment assemblies. A Taylor Series Method sensitivity analysis approach was used to identify the most critical variables in cladding and rodlet stress, temperature, and pressure calculations for design analyses. The results showed that internal rodlet pressure calculations are most sensitive to the fission gas release rate uncertainty while temperature calculations are most sensitive to cladding I.D. and O.D. dimensional uncertainty. The analysis showed that stress calculations are most sensitive to rodlet internal pressure uncertainties, however the results also indicated that the inside radius, outside radius, and internal pressure were all magnified as they propagate through the stress equation. This study demonstrates the importance for ATF concept development teams to provide the fabricators as much information as possible about the material properties and behavior observed in prototype testing, mock-up fabrication and assembly, and chemical and mechanical testing of the materials that may have been performed in the concept development phase. Special handling, machining, welding, and inspection of materials, if known, should also be communicated to the experiment fabrication and inspection team.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High-burnup fuel stress analysis prior to and during a LOCA transient

High-burnup fuel fragmentation and pulverization have been experimentally observed during simulated loss-of-coolant accident (LOCA) transient testing of high-burnup (>62 GWd/tU) nuclear fuel. The cause of this phenomenon is generally accepted to be the formation of stresses arising from the off-normal conditions. However, the primary mechanism(s) contributing to the stress formation is/are still being debated. Leading hypotheses suggest that the concurrence of fission gas bubbles and high burnup structure on the pellet periphery (i.e., the rim) leave the fuel susceptible to pulverization. Other hypotheses suggest that pulverization is artificially inflated during externally heated tests that do not reproduce prototypic fuel stresses and radial temperature profiles as the fuel transitions from full-power nuclear heating to decay heating. This work performs finite element analyses of fuel pellet temperatures and macroscopic stresses prior to and during a LOCA transient to identify (1) operating conditions that may exacerbate the fuel pellet stress state, (2) differences in predicted stresses with nuclear vs. furnace heating, and (3) how fuel cracking impacts the subsequent stress state in the pellet fragments. Analyses predict that macroscopic transient fuel stresses resulting from constrained thermal expansion will remain below the fracture stress of fresh UO 2 once the fragment size reaches ~4 mm or less. Calculated fuel stresses from simulated LOCA tests performed with representative nuclear vs. electrical heating rates are shown to be equal within 5% and essentially unchanged for all times after the first 27 seconds of the transients. Because the fuel stresses do not change once the temperature profile becomes uniform, macroscopic transient stresses would be no different than those following a normal shutdown. Because pulverization of high burnup fuel does not occur prior to a LOCA test, pulverization of high burnup UO 2 cannot be initiated by differential thermal stresses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Determination of In-Situ Stress and Geomechanical Properties from Borehole Deformation

This paper proposes a cost-effective technique to determine geomechanical properties and in-situ stress from borehole deformation data. In this approach, an artificial neural network (ANN) is applied to map the relationship among in-situ stress, borehole size, geomechanical properties, and borehole displacements. The genetic algorithm (GA) searches for the set of unknown stresses and geomechanical properties that matches the objective borehole deformation function. Probabilistic recapitulation (PR) analysis is conducted after each ANN-GA modeling cycle and will be repeated with a reduced number of unknowns for the next ANN-GA modeling cycle until unequivocal results are achieved. The PR-GA-ANN method has been demonstrated by a field case study to estimate borehole size, Young’s modulus, Poisson’s ratio, and the two horizontal stresses using borehole deformation information reported from four-arm caliper log of a vertical borehole. The methodology effectively solves the issue of the multiple solutions (various rock mechanical properties and in-situ stresses combinations) for a certain borehole deformation. The case study also indicated that the calculated horizontal stresses are in reasonable agreement with the filed hydraulic fracture treatment observations and the reported regional stress study of the area.

58 GEOSCIENCES↗

Disentangling the Effects of Vapor Pressure Deficit and Soil Water Availability on Canopy Conductance in a Seasonal Tropical Forest During the 2015 El Niño Drought

In land models used in Earth system models, vegetation water stress is heuristically related to soil water matric potential, and root water uptake in soil layers is simply proportional to root density to meet the transpiration demand. The efficiency of roots utilizing deeper soil water under water stress cannot be well represented, but it is of critical importance for transpiration regulation and carbon flux. To improve modeling of tropical forest response to drought, a plant hydrodynamic scheme (HYDRO), adapted from a trait-based model in the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), has been implemented in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) to represent the hydraulic dynamics and root water uptake strategy. The adapted model conforms to the big-leaf photosynthesis model in ELM. Vegetation water stress in the model is a function of prognostic leaf water potential and is used to regulate stomatal conductance. Point simulations were performed at two tropical forest sites in the Amazon and Panama. Model sensitivity to the numerical solver, plant hydraulic traits, soil properties, and atmospheric forcing has been evaluated. Our results showed that, even though water stress factors calculated at our study sites using HYDRO are comparable to that simulated by the heuristic water stress model, soil moisture prediction is improved with soil water redistributions through roots. Simulated results using HYDRO is not as sensitive to plant hydraulic traits measured for different tree species as to the soil properties and atmospheric forcing. Simplified numerical solver may cause inaccuracy as to where roots uptake water. This study suggests that plant hydrodynamic representation is critical for improved simulations of soil moisture under water stresses.

54 ENVIRONMENTAL SCIENCES↗

Atomistic Investigation of Plastic Deformation and Dislocation Motion in Uranium Mononitride

Uranium mononitride (UN) is a promising advanced nuclear fuel due to its high thermal conductivity and high fissile density. However, many aspects of its mechanical behavior, particularly at reactor-relevant conditions, remain unclear. In this study, molecular dynamics (MD) simulations were employed to investigate the deformation behavior and dislocation motion in UN. We found that the Kocevski potential predicts the principal slip system as $\frac{1}{2}$ $\langle110\rangle${110}, aligning with experimental data. On the other hand, the Tseplyaev potential predicts slip to primarily occur on $\frac{1}{2}$ $\langle110\rangle${111}. MD simulations of stress–strain behavior were used to estimate the nanoindentation hardness, revealing that the Kocevski potential accurately predicts hardness even though it fails to model dynamic plasticity. Complete dislocation mobility functions have been fitted for the edge and screw dislocations in both the thermally activated and phonon-drag regimes. The 300 K linear mobility of the edge dislocation using the Tseplyaev potential was found to be 817 Pa -1 ·s -1 , whereas that of the screw dislocation using the Kocevski potential was found to be 4546 Pa -1 ·s -1 . At intermediate stresses, we observed that the subsonic steady-state motion of the edge dislocation in UN is intermittently interrupted by velocity jumps, reaching the average sound velocity. Finally, the threshold Schmid stress is calculated as 179–197 MPa, which gives an upper-limit estimate of the uniaxial yield stress of polycrystalline UN of 548–603 MPa. These findings, including the fitted dislocation mobility function, provide essential input for future plasticity and dislocation dynamics models of nuclear fuels.

36 MATERIALS SCIENCE↗

Integrated solver for fluid driven fracture and fragmentation

An integrated solver may be used for both a fluid phase and a solid phase. The integrated solver may use constitutive equations for the fluid phase and the solid phase, and calculate the stress in the fluid and solid using the same integration point. The integrated solver may also calculate other state variables using the same integration point.

97 MATHEMATICS AND COMPUTING↗