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DOE OSTI2016

An analysis of key characteristics of the Frank-Read source process in FCC metals

A well-known intragranular dislocation source, the Frank-Read (FR) source plays an important role in size-dependent dislocation multiplication in crystalline materials. Despite a number of studies in this topic, a systematic investigation of multiple aspects of the FR source in different materials is lacking. Here, in this paper, we employ large scale quasistatic concurrent atomistic-continuum (CAC) simulations to model an edge dislocation bowing out from an FR source in Cu, Ni, and Al. First, a number of quantities that are important for the FR source process are quantified in the coarse-grained domain. Then, two key characteristics of the FR source, including the critical shear stress and critical dislocation configuration, are investigated. In all crystalline materials, the critical stresses and the aspect ratio of the dislocation half-loop height to the FR source length scale well with respect to the FR source length. In Al, the critical stress calculated by CAC simulations for a given FR source length agrees reasonably well with a continuum model that explicitly includes the dislocation core energy. Nevertheless, the predictions of the isotropic elastic theory do not accurately capture the FR source responses in Cu and Ni, which have a relatively large stacking fault width and elastic anisotropy. Our results highlight the significance of directly simulating the FR source activities using fully 3D models and shed light on developing more accurate continuum models.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Hillock formation in co-deposited thin films of immiscible metal alloy systems

Hillocks are protruding sections of a surface that can influence the electronic and mechanical properties of a thin film. In monolithic films, these hillocks are formed due to thermally induced stress gradients during deposition. In this study, the surface morphology of co-sputtered immiscible Cu-X (X is a body centered cubic (BCC) group V or VI metal) thin films is characterized to elucidate the conditions that lead to hillock formation. Cu-Ta and Cu-Mo-Ag films were co-deposited with physical vapor deposition (PVD) magnetron sputtering at 25, 400, 600, and 800°C. A significant number of homogeneously distributed surface hillocks were observed only in the 600 and 800°C films. High-angle annular dark field (HAADF) cross-sectional imaging revealed significant Cu agglomerations underneath the protruding features. For the Cu-Ta films, the Cu was enveloped in a Cu-Ta nanocrystalline matrix. For Cu-Mo-Ag, the Cu was surrounded by Mo-Ag concentration modulations. While thermal stress gradients arise during deposition of immiscible metal films, biaxial stress calculations and literature cases reveal that they are not solely responsible for hillock formation. The observed morphologies align with a surface diffusion kinetic model that evaluates diffusion length of adatoms during deposition as a function of deposition temperature. Finally, this indicates a phase separation driving force paired with the constituent elements’ dissimilar mobilities at elevated deposition temperatures contribute to the presence of hillocks.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Non-Synchronous Rotation on Europa Driven by Ocean Currents

It has been suggested that the ice shell of Jupiter's moon Europa may drift non-synchronously due to tidal torques. Here we argue that torques applied by the underlying ocean are also important and can result in non-synchronous rotation. The resulting spin rate can be slightly slower than the synchronous angular rate that would have kept the same point of the ice shell facing Jupiter. We develop an ice shell rotation model, driven by ocean stress calculated using a high-resolution state-of-the-art ocean general circulation model, and take into account the viscoelastic deformation of the ice shell. We use the ice shell model results together with observed limits on the ice shell drift speed to constrain ice shell parameters such as effective viscosity, which is currently uncertain by at least four orders of magnitude. Our results suggest, at best, sluggish ice shell convection. Depending on the relaxation time scale of the ice shell and on the ocean currents, the ice shell may exhibit negligible drift, constant drift, or oscillatory drift superimposed on random fluctuations. The expected rotation rate exceeds ~30 m/yr; future spacecraft observations can be used to test these predictions and yield insight into the properties of the ice shell and underlying ocean.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

Pretest Modeling A Spent Nuclear Fuel Seismic Shake Test

The U.S. Department of Energy Spent Fuel and Waste Science and Technology (SFWST) program is planning to conduct a series of full-scale shake table tests to simulate hypothetical earthquake conditions and record the response of surrogate spent nuclear fuel (SNF) assemblies in a dry canister storage system mockup. The shake table motions will represent a range of hypothetical earthquake conditions at hypothetical locations in the continental U.S. to generally define the range of mechanical loads that SNF can be expected to experience during extended dry storage periods. This paper describes the pretest predictions made with LS-DYNA models of the mockup storage systems. The test will use two dry storage system configurations, a mockup vertical concrete cask (VCC) and a mockup horizontal storage module (HSM). The test will use a production-quality canister and basket. Within the canister will be four instrumented fuel assemblies with fuel rods containing surrogate mass and 28 instrumented dummy assemblies that are intended to match the mass and outer dimension of a fuel assembly. The finite element models include models of the VCC and HSM on the shake table to calculate the system level dynamic responses and separate single fuel assembly models to calculate stress and strain in fuel assembly components. Both types of models include nonlinear behavior like rod-to-rod contact and the ability for VCC’s to rock and slide. This paper presents the expected response of the VCC, HSM, and fuel assemblies to the shake table testing that is planned to start in April of 2024. The earthquake conditions represent seismic hazards in the 2,000-to-20,000-year return period range. The test data is expected to confirm the expectation that fuel rod cladding will remain intact, fuel assembly structural components like guide tubes will remain intact, and no significant VCC sliding or tipping will occur in the range of conditions to be tested with the shake table.

Klymyshyn, Nicholas A.↗

DOE OSTI2018

FEHM V3.0 - V3.X

The numerical background of the FEHM computer code can be traced to the early 1970s when it was used to simulate geothermal and hot dry rock reservoirs. The primary use over a number of years was to assist in the understanding of flow fields and mass transport in the saturated and unsaturated zones below the potential Yucca Mountain repository. Today FEHM is used to simulate groundwater and contaminant flow and transport in deep and shallow, fractured and un-fractured porous media throughout the US DOE complex. FEHM has proved to be a valuable asset on a variety of projects of national interest including Environmental Remediation of the Nevada Test Site, the LANL Groundwater Protection Program, geologic CO2 sequestration, Enhanced Geothermal Energy (EGS) programs, Oil and Gas production, Nuclear Waste Isolation, and Arctic Permafrost. Subsurface physics has ranged from single fluid/single phase fluid flow when simulating basin scale groundwater aquifers to complex multifluid/ multi-phase fluid flow that includes phase change with boiling and condensing in applications such as unsaturated zone surrounding nuclear waste storage facility or leakage of CO2/brine through faults or wellbores. The numerical method used in FEHM is the control volume method (CV) for fluid flow and heat transfer equations which allows FEHM to exactly enforce energy/mass conservation; while an option is available to use the finite element (FE) method for displacement equations to obtain more accurate stress calculations. In addition to these standard methods, an option to use FE for flow is available, as well as a simple Finite Difference scheme.

Pawar, Rajesh↗

DOE OSTI2024

WHOLESCALE: Microseismic Event Catalog for San Emidio, Nevada 2022

This submission includes a high-precision seismic event catalog estimated from seismic data collected at San Emidio, Nevada from April to May 2022. The catalog lists the precise time, location, and magnitude of microseismic events recorded during this period. Both the seismic data and microseismic event catalog were produced as part of the Water & Hole Observations Leverage Effective Stress Calculations and Lessen Expenses (WHOLESCALE) project. Attached here are the microseismic event catalog, a link to the raw seismic data, and a detailed description of methods used to create the catalog.

15 GEOTHERMAL ENERGY↗

DOE OSTI2016

Multiscale Modeling using Molecular Dynamics and Dual Domain Material Point Method

For problems involving large material deformation rate, the material deformation time scale can be shorter than the material takes to reach a thermodynamical equilibrium. For such problems, it is difficult to obtain a constitutive relation. History dependency become important because of thermodynamic non-equilibrium. Our goal is to build a multi-scale numerical method which can bypass the need for a constitutive relation. In conclusion, multi-scale simulation method is developed based on the dual domain material point (DDMP). Molecular dynamics (MD) simulation is performed to calculate stress. Since the communication among material points is not necessary, the computation can be done embarrassingly parallel in CPU-GPU platform.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Replaceable Paddle Tip Fabrication and Testing for Saltstone Production Facility (SPF) Mixer (FY2020 Update)

Details of the operations and issues related to the paddles used in the Saltstone Production Facility (SPF) employing the 10-inch READCO ™ -Kurimoto co-rotating dual shaft continuous mixer are provided in SRNL-ST1-2019-00142, Based on a recent effort performed by the Savannah River National Laboratory (SRNL) and funded by Savannah River Remediation (SRR), eight different replaceable paddle designs were proposed and the angled notched design was selected for this study. This design was selected over the other designs due to its simplicity and its ability to meet the fitness of duty requirements. There are two types of angled notched replaceable tip designs, one being flat and the other helical. Either of these designs can be used for blending the premix with the salt solution. Stress calculations performed on this design (the use of the bolts and connections) are documented in M-CLC-Z-00137 showing it was suitable for use.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Numerical and neutron diffraction measurement of residual stress distribution in dissimilar weld

In this study, a model considering an asymmetric power heat distribution, temperature-dependent material properties, strain hardening and phase transformation was developed to predict temperature field and residual stress distribution in GTA dissimilar weld between austenitic stainless steel (304) and low carbon steel (1018). The effect of martensite formation on longitudinal and transverse residual stress distributions were investigated using both FE model and neutron diffraction measurement. The results indicate that martensitic phase has a significant influence on both residual stress components, i.e., transverse and longitudinal, and it not only can change the distribution shape of residual stress near the weld center line but, also, can alter the peak value of the residual stresses. The calculated temperature and weld zone profile were in agreement with the experimental results. Favorable general agreement was also found between the calculated residual stress distribution and residual stress measurements by the neutron diffraction method.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Structural Design Optimization of Doubly-Fed Induction Generators Using GeneratorSE

A wind turbine with a larger rotor swept area can generate more electricity, however, this increases costs disproportionately for manufacturing, transportation, and installation. This poster presents analytical models for optimizing doubly-fed induction generators (DFIGs), with the objective of reducing the costs and mass of wind turbine drivetrains. The structural design for the induction machine includes models for the casing, stator, rotor, and high-speed shaft developed within the DFIG module in the National Renewable Energy Laboratory's wind turbine sizing tool, GeneratorSE. The mechanical integrity of the machine is verified by examining stresses, structural deflections, and modal properties. The optimization results are then validated using finite element analysis (FEA). The results suggest that our analytical model correlates with the FEA in some areas, such as radial deflection, differing by less than 20 percent. But the analytical model requires further development for axial deflections, torsional deflections, and stress calculations.

17 WIND ENERGY↗

DOE OSTI2018

Impact of elliptical boreholes on in situ stress estimation from leak-off test data

We developed an inversion technique to determine in situ stresses for elliptical boreholes of arbitrary trajectory. In this approach, borehole geometry, drilling-induced fracture information, and other available leak-off test data were used to construct a mathematical model, which was in turn applied to finding the inverse of an overdetermined system of equations. The method has been demonstrated by a case study in the Appalachian Basin, USA. The calculated horizontal stresses are in reasonable agreement with the reported regional stress study of the area, although there are no field measurement data of the studied well for direct calibration. The results also indicate that 2% of axis difference in the elliptical borehole geometry can cause a 5% difference in minimum horizontal stress calculation and a 10% difference in maximum horizontal stress calculation.

42 ENGINEERING↗

DOE OSTI2024

Stress field measurements using quantitative schlieren

Quantitative schlieren analysis is extended here to optically transparent solids in quasi-static and dynamic experiments to measure stress distributions. The quasi-static experiments in polymethyl methacrylate (PMMA) compared refraction angles and stress gradients calculated from schlieren images to the analytical Flamant solution of a line load on a half-space. The quantitative schlieren measurements of the stress field in the thin sample with a load compared well to the analytical solution. The analysis method was then extended to explosive induced shock waves in PMMA. The explosive induced response of PMMA was experimentally studied using high-speed schlieren to visualize the shock propagation in conjunction with Photon Doppler Velocimetry (PDV) to record surface velocity histories. The stress state estimated from the schlieren images was compared to the stress calculated from the PDV measurements. High-speed imaging limitations caused the shock wave to not be fully resolved in the images, but was resolved in the PDV measurement. The stress state behind the shock calculated from the high-speed images followed a similar trend to the stress calculated from the PDV measurements.

Physics↗

DOE OSTI2023

In situ mechanical characterization of a single cell-cell adhesion interface under large strain

A method of measuring a stress-strain curve in a cell-cell adhesion interface, the method including: providing a structure including a first movable island supported by a first beam, a second movable island supported by a second beam, and a gap therebetween connected by a pair of cells forming a junction, the pair of cells comprising a cell-cell adhesion interface having an initial length defined by a distance between nuclei of the pair of cells; moving the second movable island with a defined displacement; determining a displacement of the first movable island based on moving the second movable island; calculating a difference between the displacement of the first movable island and the defined displacement of the second movable island based on moving the second movable island; determining an applied strain in the cell-cell adhesion interface between the pair of cells based on the difference divided by the initial length of the cell-cell adhesion interface; calculating a force between the cell-cell adhesion interface of the pair of cells based on the displacement of the first movable island; calculating a stress in the cell-cell adhesion interface between the pair of cells based on the force; and determining the stress-strain curve of the cell-cell adhesion interface between the pair of cells by plotting the calculated stress against the applied strain.

Yang, Ruiguo↗

DOE OSTI2022

Residual stress and microstructure in IN718-René41 graded superalloy fabricated by laser blown directed energy deposition

Additively printed Ni-based superalloy with a compositionally graded transition from IN718 to René41 was fabricated by laser blown-powder directed energy deposition (DED/LB-M), with the goals of meeting location-specific temperature capability and reducing component cost for hot gas path turbine components. Residual stress distribution in thin wall specimens with three sets of DED build parameters in the as-built and stress-relieved states was measured by neutron diffraction. For calculating residual stress, the calculated d0 method was found to be more appropriate as stress-free reference than using the lattice spacing measured from the stress-relief heat treated specimens. Longer dwell time (lower interpass temperature), higher energy input, smaller layer thickness resulted in a higher magnitude of tensile residual stresses at edges and compressive residual stresses at center of the specimens. The residual stress results did not show a strong dependence on graded compositions, indicating that the residual stress build-up was more geometry and process dependent. Non-destructive neutron imaging based on the attenuation coefficient qualitatively visualized the compositional variation in the bulk and showed good agreement with quantitative Electron Probe Micro-Analysis (EPMA) measurement. Grain structure, texture, and residual plastic strain along the build direction were characterized by Electron Backscatter Diffraction (EBSD). Long columnar grains with (001) preferred grain orientation were dominant along the build direction. Compositional change did not show an obvious effect on the epitaxial growth of dendrites and the continuation of the columnar grains. Residual plastic strain was relatively low in the as-built specimens.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Analyzing Mechanical integrity of Microwave resonant Cavity flowmeter

The microwave resonant cavity flow sensor has been proposed to address the difficulties of measuring high-temperature molten salt flow in reactor vessels. The flow sensor consists of a metallic cylindrical cavity coupled to a microwave waveguide. The cylindrical cavity has one of the flat surfaces thin enough to undergo microscopic deflection due to dynamic pressure of the exerted by the flowing fluid. Deflection of the membrane causes a shift in the microwave resonant frequency. Fluid velocity can be estimated from the calibration curve. The objective of this report is to investigate mechanical integrity of the flowmeter’s membrane. The membrane is a thin stainless-steel circular plate with a clamped edge, subjected to uniform load. By calculating the stress on the plate due to deflection and, comparing the stress to the material ultimate tensile strength and yield strength, it can be estimated if the plate will fail. If the maximum stress is greater than the yield strength, the plate will undergo plastic deformation, and the sensor will be disabled. A stress greater than the ultimate tensile strength will cause the plate to fracture. The stress on the plate was calculated with an analytic closed form solution model, and with COMSOL Structural Mechanics Module which does not involve any approximations. Stresses in both the analytic model and COMSOL numerical model were calculated for stainless steel 316 thin circular plates under room temperature conditions, where the fluid is water. The diameter of the circular plate is approximately one inch, and thickness is 10mil. Fluid flow velocity is in the range from 0.5m/s to 1m/s. The results from the two models are similar. Both the analytic model and COMSOL model showed that maximum stresses on the plate, which are at the radial boundary of the plate, are three orders of magnitude smaller than the yield strength and ultimate tensile strength. This indicates that the sensor is at a low risk of mechanical failure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Guidelines for predicting stress in cemented doublets undergoing temperature change

This work explores quick predictive methods for calculating potentially risky stresses and deflections in cemented doublets experiencing temperature change that agree well with finite element analysis. There are three failure modes of interest: cohesive failure of the adhesive, delamination (surface bond failure or debonding), and glass fracture. Adhesive theory, confirmed by finite element analysis, predicts stress singularities that complicate interpretation of the stress calculations. The presence of a stress singularity indicates the breakdown of linear elastic assumptions, but damage initiation and stress singularities are related. The authors find that geometry details near a bond edge can exacerbate or minimize damage initiation and stress concentrations. Because the interpretation of the stress results is complicated, the authors investigated predicted stresses in doublets that have been successfully tested between -40 and 85 °C. This study found that the product (ΔT ∙ Δα) should be less than 189 ppm, where ΔT is the temperature excursion and Δα is the difference in glass coefficient of thermal expansion. If the product (ΔT ∙ Δα) is equal to or greater than 189 ppm, further analysis and testing is warranted. But the authors also show that the fabrication process can significantly influence stress failure, particularly with large diameter doublets.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Guidelines for predicting stress in cemented doublets undergoing temperature change

This work explores quick predictive methods for calculating potentially risky stresses and deflections in cemented doublets experiencing temperature change that agree well with finite element analysis. There are three failure modes of interest: cohesive failure of the adhesive, delamination (surface bond failure or debonding), and glass fracture. Adhesive theory, confirmed by finite element analysis, predicts stress singularities that complicate interpretation of the stress calculations. The presence of a stress singularity indicates the breakdown of linear elastic assumptions, but damage initiation and stress singularities are related. The authors find that geometry details near a bond edge can exacerbate or minimize damage initiation and stress concentrations. Because the interpretation of the stress results is complicated, the authors investigated predicted stresses in doublets that have been successfully tested between -40 and 85 °C. This study found that the product (∆T ∙ ∆α) should be less than 189 ppm, where ∆T is the temperature excursion and ∆α is the difference in glass coefficient of thermal expansion. If the product (∆T ∙ ∆α) is equal to or greater than 189 ppm, further analysis and testing is warranted. But the authors also show that the fabrication process can significantly influence stress failure, particularly with large diameter doublets

42 ENGINEERING↗

DOE OSTI2021

Fabrication and Preliminary Demonstration of Microwave Resonant Cavity Transducer Performance

We are investigating a microwave cavity-based transducer for in-core high-temperature fluid flow sensing in molten salt cooled reactors (MSCR) and sodium fast reactors (SFR). This sensor is a hollow metallic cylindrical cavity, which can be fabricated from stainless steel, and as such is expected to be resilient to radiation, high temperature and corrosive environment of MSCR and SFR. The principle of sensing consists of making one wall of the cylindrical cavity flexible enough so that dynamic pressure, which is proportional to fluid velocity, will cause membrane deflection. Membrane deflection causes cavity volume change, which leads to a shift in the resonant frequency. We have developed an initial design for proof-of-principle testing of the flow sensor performance in microwave K-band. A cylindrical resonator prototype was fabricated from brass for initial tests in water. The cavity size is matched to the flange of a standard WR-42 waveguide. Microwave field is coupled into the resonant cavity through a subwavelength-size aperture. A test article was developed, consisting of a piping Tee with bulkhead WR-42 microwave waveguide installed in leak-proof design. In the test article, the cylindrical cavity is positioned in the center of the pipe. A microwave waveguide circulator was installed in the setup to suppress microwave reflections at the cavity entrance. Preliminary spectral characterization of cavity spectral response was performed with microwave VNA. Applying mechanical pressure to cavity membrane showed a measurable shift in the microwave resonant frequency. We also investigate mechanical integrity of the flowmeter’s membrane through computer simulations. By calculating the stress on the plate due to deflection and, comparing the stress to the material ultimate tensile strength and yield strength, it can be estimated if the plate will fail. The stress on the plate was calculated with an analytic closed form solution model, and with COMSOL Structural Mechanics Module which does not involve any approximations. Both the analytic model and COMSOL model showed that maximum stresses on the plate, which are at the radial boundary of the plate, are three orders of magnitude smaller than the yield strength and ultimate tensile strength. This indicates that the sensor is at a low risk of mechanical failure.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗