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At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Integrated Optical Interferometers with Micromachined Diaphragms for Pressure Sensing

Optical pressure sensors have been fabricated which use an integrated optical channel waveguide that is part of an interferometer to measure the pressure-induced strain in a micromachined silicon diaphragm. A silicon substrate is etched from the back of the wafer leaving a rectangular diaphragm. On the opposite side of the wafer, ring resonator and Mach-Zehnder interferometers are formed with optical channel waveguides made from a low pressure chemical vapor deposited film of silicon oxynitride. The interferometer's phase is altered by pressure-induced stress in a channel segment positioned over the long edge of the diaphragm. The phase change in the ring resonator is monitored using a link-insensitive swept frequency laser diode, while in the Mach-Zehnder it is determined using a broad band super luminescent diode with subsequent wavelength separation. The ring resonator was found to be highly temperature sensitive, while the Mach-Zehnder, which had a smaller optical path length difference, was proportionally less so. The quasi-TM mode was more sensitive to pressure, in accord with calculations. Waveguide and sensor theory, sensitivity calculations, a fabrication sequence, and experimental results are presented.

DeBrabander, Gregory N.↗
DOE OSTI2023

Vibronic Relaxation Pathways in Molecular Spin Qubit Na 9 [Ho(W 5 O 18 ) 2 ]·35H 2 O under Pressure

In order to explore how spectral sparsity and vibronic decoherence pathways can be controlled in a model qubit system with atomic clock transitions, we combined diamond anvil cell techniques with synchrotron-based far infrared spectroscopy and first-principles calculations to reveal the vibrational response of Na 9 [Ho(W 5 O 18 ) 2 ]·35H 2 O under compression. Because the hole in the phonon density of states acts to reduce the overlap between the phonons and f manifold excitations in this system, we postulated that pressure might move the HoO 4 rocking, bending, and asymmetric stretching modes that couple with the M J = ±5, ±2, and ±7 levels out of resonance, reducing their interactions and minimizing decoherence processes, while a potentially beneficial strategy for some molecular qubits, pressure slightly hardens the phonons in Na 9 [Ho(W 5 O 18 ) 2 ]·35H 2 O and systematically fills in the transparency window in the phonon response. The net result is that the vibrational spectrum becomes less sparse and the overlap with the various M J levels of the Ho 3+ ion actually increases. These findings suggest that negative pressure, achieved using chemical means or elongational strain, could further open the transparency window in this rare earth-containing spin qubit system, thus paving the way for the use of device surfaces and interface elongational/compressive strains to better manage decoherence pathways.

36 MATERIALS SCIENCE↗
NASA NTRS1947

Elastic Properties in Tension and Shear of High Strength Nonferrous Metals and Stainless Steel - Effect of Previous Deformation and Heat Treatment

A resume is given of an investigation of the influence of plastic deformation and of annealing temperature on the tensile and shear elastic properties of high strength nonferrous metals and stainless steels in the form of rods and tubes. The data were obtained from earlier technical reports and notes, and from unpublished work in this investigation. There are also included data obtained from published and unpublished work performed on an independent investigation. The rod materials, namely, nickel, monel, inconel, copper, 13:2 Cr-Ni steel, and 18:8 Cr-Ni steel, were tested in tension; 18:8 Cr-Ni steel tubes were tested in shear, and nickel, monel, aluminum-monel, and Inconel tubes were tested in both tension and shear. There are first described experiments on the relationship between hysteresis and creep, as obtained with repeated cyclic stressing of annealed stainless steel specimens over a constant load range. These tests, which preceded the measurements of elastic properties, assisted in devising the loading time schedule used in such measurements. From corrected stress-set curves are derived the five proof stresses used as indices of elastic or yield strength. From corrected stress-strain curves are derived the secant modulus and its variation with stress. The relationship between the forms of the stress-set and stress-strain curves and the values of the properties derived is discussed. Curves of variation of proof stress and modulus with prior extension, as obtained with single rod specimens, consist in wavelike basic curves with superposed oscillations due to differences of rest interval and extension spacing; the effects of these differences are studied. Oscillations of proof stress and modulus are generally opposite in manner. The use of a series of tubular specimens corresponding to different amounts of prior extension of cold reduction gave curves almost devoid of oscillation since the effects of variation of rest interval and extension spacing were removed. Comparison is also obtained between the variation of the several properties, as measured in tension and in shear. The rise of proof stress with extension is studied, and the work-hardening rates of the various metals evaluated. The ratio between the tensile and shear proof stresses for the various annealed and cold-worked tubular metals is likewise calculated. The influence of annealing or tempering temperature on the proof stresses and moduli for the cold-worked metals and for air-hardened 13:2 Cr-Ni steel is investigated. An improvement of elastic strength generally is obtained, without important loss of yield strength, by annealing at suitable temperature. The variation of the proof stress and modulus of elasticity with plastic deformation or annealing temperature is explained in terms of the relative dominance of three important factors: namely, (a) internal stress, (b) lattice-expansion or work-hardening, and (c) crystal reorientation. Effective values of Poisson's ratio were computed from tensile and shear moduli obtained on tubular specimens. The variation of Poisson's ratio with plastic deformation and annealing temperature is explained in terms of the degree of anisotropy produced by changes of (a) internal stress and (b) crystal orientation.

METALS - ELASTICITY↗
DOE OSTI2025

Heterostructure engineering for wurtzite LaN

Wurtzite LaN (wz-LaN) is a semiconducting nitride with favorable piezoelectric and ferroelectric properties, making it promising for applications in electronics. Here, we use first-principles density functional theory with a hybrid functional to investigate several features that are key for its use in heterostructures. First, for the purposes of growing wz-LaN on a substrate or designing a heterostructure, we show that it can be lattice-matched with a number of cubic materials along their [111] axes. We also evaluate the bound charge at such interfaces, taking into account both the polarization discontinuity and the piezoelectric polarization due to pseudomorphic strain. Second, we investigate band alignments and assess the results for interfaces with zincblende-, rocksalt-, and perovskite-structure compounds, along with chemically similar wurtzite and rocksalt nitrides. Our results provide guidance for the development of electronic devices based on wz-LaN.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exceptional fracture toughness of CrCoNi-based medium- and high-entropy alloys at 20 kelvin

Medium- and high-entropy alloys based on the CrCoNi-system have been shown to display outstanding strength, tensile ductility and fracture toughness (damage-tolerance properties), especially at cryogenic temperatures. Here we examine the J Ic and (back-calculated) K JIc fracture toughness values of the face-centered cubic, equiatomic CrCoNi and CrMnFeCoNi alloys at 20 K. At flow stress values of ~1.5 GPa, crack-initiation K JIc toughnesses were found to be exceptionally high, respectively 235 and 415 MPa√m for CrMnFeCoNi and CrCoNi, with the latter displaying a crack-growth toughness K ss exceeding 540 MPa√m after 2.25 mm of stable cracking, which to our knowledge is the highest such value ever reported. Characterization of the crack-tip regions in CrCoNi by scanning electron and transmission electron microscopy reveal deformation structures at 20 K that are quite distinct from those at higher temperatures and involve heterogeneous nucleation, but restricted growth, of stacking faults and fine nanotwins, together with transformation to the hexagonal closed-packed phase. The coherent interfaces of these features can promote both the arrest and transmission of dislocations to generate respectively strength and ductility which strongly contributes to sustained strain hardening. Indeed, we believe that these nominally single-phase, concentrated solid-solution alloys develop their fracture resistance through a progressive synergy of deformation mechanisms, including dislocation glide, stacking-fault formation, nano-twinning and eventually in situ phase transformation, all of which serve to extend continuous strain hardening which simultaneously elevates strength and ductility (by delaying plastic instability), leading to truly exceptional resistance to fracture.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Bayesian Inference of State-Level COVID-19 Basic Reproduction Numbers across the United States

Although many persons in the United States have acquired immunity to COVID-19, either through vaccination or infection with SARS-CoV-2, COVID-19 will pose an ongoing threat to non-immune persons so long as disease transmission continues. We can estimate when sustained disease transmission will end in a population by calculating the population-specific basic reproduction number ℛ0, the expected number of secondary cases generated by an infected person in the absence of any interventions. The value of ℛ0 relates to a herd immunity threshold (HIT), which is given by 1−1/ℛ0. When the immune fraction of a population exceeds this threshold, sustained disease transmission becomes exponentially unlikely (barring mutations allowing SARS-CoV-2 to escape immunity). Here, we report state-level ℛ0 estimates obtained using Bayesian inference. Maximum a posteriori estimates range from 7.1 for New Jersey to 2.3 for Wyoming, indicating that disease transmission varies considerably across states and that reaching herd immunity will be more difficult in some states than others. ℛ0 estimates were obtained from compartmental models via the next-generation matrix approach after each model was parameterized using regional daily confirmed case reports of COVID-19 from 21 January 2020 to 21 June 2020. Our ℛ0 estimates characterize the infectiousness of ancestral strains, but they can be used to determine HITs for a distinct, currently dominant circulating strain, such as SARS-CoV-2 variant Delta (lineage B.1.617.2), if the relative infectiousness of the strain can be ascertained. On the basis of Delta-adjusted HITs, vaccination data, and seroprevalence survey data, we found that no state had achieved herd immunity as of 20 September 2021.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2014

A Technique for Mapping Characteristic Lengths to Preserve Energy Dissipated via Strain Softening in a Multiscale Analysis

It is often advantageous to account for the microstructure of the material directly using multiscale modeling. For computational tractability, an idealized repeating unit cell (RUC) is used to capture all of the pertinent features of the microstructure. Typically, the RUC is dimensionless and depends only on the relative volume fractions of the different phases in the material. This works well for non-linear and inelastic behavior exhibiting a positive-definite constitutive response. Although, once the material exhibits strain softening, or localization, a mesh objective failure theories, such as smeared fracture theories, nodal and element enrichment theories (XFEM), cohesive elements or virtual crack closure technique (VCCT), can be utilized at the microscale, but the dimensions of the RUC must then be defined. One major challenge in multiscale progressive damage modeling is relating the characteristic lengths across the scales in order to preserve the energy that is dissipated via localization at the microscale. If there is no effort to relate the size of the macroscale element to the microscale RUC, then the energy that is dissipated will remain mesh dependent at the macroscale, even if it is regularized at the microscale. Here, a technique for mapping characteristic lengths across the scales is proposed. The RUC will be modeled using the generalized method of cells (GMC) micromechanics theory, and local failure in the matrix constituent subcells will be modeled using the crack band theory. The subcell characteristic lengths used in the crack band calculations will be mapped to the macroscale finite element in order to regularize the local energy in a manner consistent with the global length scale. Examples will be provided with and without the regularization, and they will be compared to a baseline case where the size and shape of the element and RUC are coincident (ensuring energy is preserved across the scales).

softening↗
DOE OSTI2023

Constructing Regulatory Networks to Compare Axenic and Interspecies Microbial Gene Transcription

In this preliminary study, we constructed gene regulatory networks (GRNs) from transcriptional expression data of axenic and interspecies microbial cultures with the goal of predicting how cocultivation affected greenhouse gas respiration by these species. The specific strains of Methylotuvimicrobium alkaliphilum 20Z, a methylotroph, and Cyanobacterium stanieri HL-69, a phototroph, were chosen for their viability in industrial bioprocessing. We ranked directed interactions between gene pairs based on the ability of the input gene to predict the expression of a target gene relative to their transcriptomes. While we were able to identify topological differences between conditions, our initial findings require validation through experimental analysis and further modeling. We aimed to develop a systematic thresholding approach to optimize the accuracy of our networks. We filtered out trial networks separately from top gene interactions of the scored rankings. Parameters of unfiltered and filtered networks were used to test and develop thresholding approaches. Knee point detection of edge weight distributions was explored as an approach for separating significant interactions from insignificant interactions in unfiltered networks. While knee detection failed to produce analogous networks for broad cross-condition comparisons, the results informed us about the proportions of significant edges present in unfiltered networks. We also calculated the average mean degree for nodes in a selection of trial networks to find a thresholding value characteristic to all groups. While we did not reach a definitive conclusion, we gained insight into the coregulatory structures of our groups and made critical evaluations of systematic methods for filtering networks. We recommend an iterative process for the inference of GRNs, where the most significant results from preliminary explorations are used to improve the efficiency with which regulatory motifs are chosen for experimental characterization. Experimental results can then inform the framework of adjusted models to improve broad interpretations of GRNs.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1995

Structural design using equilibrium programming formulations

Solutions to increasingly larger structural optimization problems are desired. However, computational resources are strained to meet this need. New methods will be required to solve increasingly larger problems. The present approaches to solving large-scale problems involve approximations for the constraints of structural optimization problems and/or decomposition of the problem into multiple subproblems that can be solved in parallel. An area of game theory, equilibrium programming (also known as noncooperative game theory), can be used to unify these existing approaches from a theoretical point of view (considering the existence and optimality of solutions), and be used as a framework for the development of new methods for solving large-scale optimization problems. Equilibrium programming theory is described, and existing design techniques such as fully stressed design and constraint approximations are shown to fit within its framework. Two new structural design formulations are also derived. The first new formulation is another approximation technique which is a general updating scheme for the sensitivity derivatives of design constraints. The second new formulation uses a substructure-based decomposition of the structure for analysis and sensitivity calculations. Significant computational benefits of the new formulations compared with a conventional method are demonstrated.

Scotti, Stephen J.↗
DOE OSTI2023

Rapid identification of enteric bacteria from whole genome sequences using average nucleotide identity metrics

Identification of enteric bacteria species by whole genome sequence (WGS) analysis requires a rapid and an easily standardized approach. We leveraged the principles of average nucleotide identity using MUMmer (ANIm) software, which calculates the percent bases aligned between two bacterial genomes and their corresponding ANI values, to set threshold values for determining species consistent with the conventional identification methods of known species. The performance of species identification was evaluated using two datasets: the Reference Genome Dataset v2 (RGDv2), consisting of 43 enteric genome assemblies representing 32 species, and the Test Genome Dataset (TGDv1), comprising 454 genome assemblies which is designed to represent all species needed to query for identification, as well as rare and closely related species. The RGDv2 contains six Campylobacter spp., three Escherichia/Shigella spp., one Grimontia hollisae, six Listeria spp., one Photobacterium damselae, two Salmonella spp., and thirteen Vibrio spp., while the TGDv1 contains 454 enteric bacterial genomes representing 42 different species. The analysis showed that, when a standard minimum of 70% genome bases alignment existed, the ANI threshold values determined for these species were ≥95 for Escherichia/Shigella and Vibrio species, ≥93% for Salmonella species, and ≥92% for Campylobacter and Listeria species. Using these metrics, the RGDv2 accurately classified all validation strains in TGDv1 at the species level, which is consistent with the classification based on previous gold standard methods.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Slip localization behavior at triple junctions in nickel-base superalloys

Incipient slip localization in the vicinity of hundreds of grain boundary triple junctions (TJs) in a lightly deformed nickel-base superalloy IN718 is studied using a combination of three-dimensional (3D) crystal plasticity finite element (CPFE) modeling, high resolution digital image correlation (HR-DIC) and 3D electron back-scatter diffraction tomography (3D EBSD). A 3D reconstruction method enables identification of thousands of TJs and correspondence of any observed slip bands with their originating TJ lines below the specimen surface. Here, we present a large-scale CPFE model of the experimental 3D microstructure composed of high-fidelity representation of the TJ lines and the boundaries and interiors of the parent grains and use it to calculate the local micromechanical response and slip activity of all TJs at the onset of macroscopic yielding. Statistical analysis of the calculated quantities reveal TJs develop larger stress concentration and grain-average re-orientation than grain interiors and grain boundaries, however no substantial differences in cumulative slip were found among these microstructural regions. We find that TJs with observed slip bands generate lower grain-average re-orientation, fewer active slip systems, and more localized slip on a single system than those without. The distinctions in the reorientation and slip activity are stronger in TJs that experience more intense slip.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanometer-Scale Fullerene-Type Conjugated Covalent Cages Based on Triazine: Design, Doping with Li + , and H 2 /CO 2 Adsorption

Spherical and hollow molecular cages based on planar triazine (C 3 N 3 ) hubs and aromatic phenylene connectors have been developed. The cages exhibit topologies akin to C 20 , C 60 , and C 70 fullerenes with diameters that range from 2.3 to 4.9 nm. Apertures into the cage interiors are tuned by varying the aromatic connectors situated between the C 3 N 3 -units. The stabilities of the C 3 N 3 cages increase with size owing to reduced bending strain of planar nodes and connectors that make up the spherical aromatic networks. Doping of the cages with Li + reveals the capacity of the cages for significant adsorption of gaseous H 2 and CO 2 . The design of graphene-like spherical cages is also discussed.

DFT calculations↗
NASA NTRS1995

Validation of Long Bone Mechanical Properties from Densitometry

The objective of this study was to assess whether cross-sectional areal properties, calculated from densitometry, correlate to the true flexural properties. Right and left male embalmed tibiae were used in the study. Prior to scanning, the proximal end of each tibia was potted in a fixture with registration pins, flushed thoroughly with water under pressure to remove trapped air, and then placed in a constant thickness water bath attached to a precision indexer. Two sets of three scans of the entire tibia were taken with an Hologic QDR 1000/W densitometer at rotations of 0, 45, and 90 degrees about the tibia long axis. An aluminum step phantom and a bone step phantom, machined from bovine cortical bone, were also in the bath and scanned separately. Pixel attenuation data from the two sets of scans were averaged to reduce noise. Pixel data from the high energy beam were then converted to equivalent thicknesses using calibration equations. Cross-sectional areal properties (centroid, principal area moments and principal angle) along the length were computed from the three registered scans using methods developed in our laboratory. Flexural rigidities. Four strain gages were bonded around the circumference of each of 5 cross-sections encompassing the entire diaphysis. A known transverse load was then applied to the distal end and the bone was rotated 360 degrees in eight increments of 45 degrees each. Strains from the eight orientations were analyzed along with the known applied bending moments at each section to compute section centroids, curvatures, principal flexural rigidities and principal angle. Reference axes between the two methods were maintained within +/- 0.5 degrees using an electronic inclinometer. Principal angles (flexural - areal) differed by -2.0 +/- 4.0 degrees, and 1.0 +/- 2.5 degrees for the right and left tibia, respectively. Section principal flexural rigidities were highly correlated to principal areal moments (right: r(sup 2)= 0.997; left: r(sup 2)= 0.978) indicating a nearly constant effective flexural modulus. Right and left tibia exhibited a very high degree of symmetry when comparing either flexural or areal properties. To our knowledge this is the first study to validate the use of densitometry (DXA) to predict three dimensional structural properties of long bones. Our initial results support the conclusion that bone mineral and its distribution are the primary determinants of flexural modulus and rigidity.

Whalen, R.↗
NASA NTRS1998

Development of In-Fiber Reflective Bragg Gratings as Shear Stress Monitors in Aerodynamic Facilities

Bragg gratings centered at nominal wavelengths of 1290 nm and 1300 run were inscribed in a 9/125 microns germano-silicate optical fiber, using continuous wave frequency doubled Ar+ laser radiation at 244 nm. Such gratings have been used extensively as temperature and strain monitors in smart structures. They have, however, never been used for measuring aerodynamic shear stresses. As a test of their sensitivity as shear stress monitors, a Bragg fiber attached to a metal plate was subjected to laminar flows in a glass pipe. An easily measurable large flow-induced wavelength shift (Delta Lambda(sub B)) was observed in the Bragg reflected wavelength. Thereafter, the grating was calibrated by making one time, simultaneous measurements of Delta Lambda(sub B) and the coefficient of skin friction (C(sub f)) with a skin friction balance, as a function of flow rates in a subsonic wind tunnel. Onset of fan-induced transition in the tunnel flow provided a unique flow rate for correlating Delta Lambda(sub B) and (C(sub f) values needed for computing effective modulus of rigidity (N(sub eff)) of the fiber attached to the metal plate. This value Of N(sub eff) is expected to remain constant throughout the elastic stress range expected during the Bragg grating aerodynamic tests. It has been used for calculating the value of Cf at various tunnel speeds, on the basis of measured values of Bragg wavelength shifts at those speeds.

Parmar, Devendra S.↗
NASA NTRS2003

Strain-Gauge Measurement of Weight of Fluid in a Tank

A method of determining the amount of fluid in a tank is based on measurement of strains induced in tank supports by the weight of the fluid. Unlike most prior methods, this method is nonintrusive: there is no need to insert instrumentation in the tank and, hence, no need to run wires, cables, or tubes through the tank wall. Also unlike most prior methods, this method is applicable even if the fluid in the tank is at supercritical pressure and temperature, because it does not depend on the presence of a liquid/gas interface (as in liquid-level-measuring methods). The strain gauges used in this method are of two types: foil and fiber-optic. Four foil gauges and one or more fiber-optic gauges are mounted on each of the tank-supporting legs. An additional fiber-optic gauge is mounted on an object, made of the same material as that of the tank-supporting legs, that is not subjected to any mechanical load. The reading obtained by the additional fiber-optic gauge is used to compensate for apparent strains caused by changes in temperature. The signals from the foil and fiber-optic gauges are conditioned, then digitized for input to a computer. As the tank is filled or emptied, the deformation in each leg increases or decreases, respectively. Measured deformations of all legs are added to obtain a composite deformation indicative of the change in weight of the tank plus fluid. An initial calibration is performed by recording data at two points (usually, empty and full) for which the mass or weight of fluid is known. It is assumed that the deformations are elastic, so that the line passing through the two points can be used as a calibration curve of mass (or weight) of fluid versus deformation. At the time of reporting the information for this article, a set of foil gauges had been tested on the supports of a 500-gallon (1,900-liter) tank. The gauges were found to be capable of measuring the deformations (up to 22 microstrain) that occurred during filling and emptying the tank. The fluid masses calculated from the gauge readings were found to be accurate within 4.5 percent. It has been estimated that once the fiber-optic gauges are put into operation, it should be possible to determine fluid masses with 3 percent or less. It may be possible to increase accuracy further by increasing the signal-to-noise ratio through the use of more deformable tank supporting legs.

Figueroa, Jorge↗
DOE OSTI2020

Three-dimensional modeling and simulations of single-crystal and bi-crystal titanium for high-strain-rate loading conditions

High purity single crystal titanium (Ti) under shock wave loading is modeled under both one-dimensional and three-dimensional cylindrical conditions. Cylinder sizes of 10 μm and 20 μm radius are both considered in order to assess influence of boundary conditions. A thermodynamically consistent single crystal model for application to shock conditions is presented. The model accounts for the coupled non-linear elastic, dislocation slip, deformation twinning, and structural phase transformation response of the titanium material. Plate impact experiment results using a copper flyer are used to compare against the simulations for crystals oriented in [0001] and [10$\overline1$1] crystallographic directions. The one-dimensional and threedimensional simulations of the two differently oriented single crystals indicate differences between the one-dimensional and three-dimensional representation, especially for the [10$\overline1$1] oriented single crystal. This orientation breaks the relative orientation symmetry between the crystal and cylinder which otherwise exists for the [0001] oriented single crystal. A significant amount of heterogeneity in the field response of the[10$\overline1$1] oriented simulation was demonstrated due to the highly coupled nature of the deformation. A bi-crystal model composed of both the [0001] and [10$\overline1$1] orientations with the boundary between the two along the axis of the cylinder is also considered for a cylinder model size of 10 μm. The results indicate a strong interaction between the two grains that affects the ω phase volume fraction achieved relative to the single crystal calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Experimental and Computational Studies of Stress Corrosion Cracking of Alloys 308/309 and 82/182 Weldments in Corrosive and Radiation Environment

The goal of the project was to determine factors that influence SCC and IASCC in weldments found in LWR nuclear power plants. We focused on a SA508-304L SS weldment fabricated by EPRI using gas tungsten arc welding and used an aggressive BWR normal water chemistry (NWC) immersion environment. This weldment used 309L butter and 308L groove filler material. The microstructure of the 309L butter was non-uniform, exhibiting a 20–30μm thick martensitic layer closest to the SA508 interface, a 1–4 mm thick single γ austenite phase dilution zone, and a γ–δ duplex region extending to the 308L groove filler. The 308L groove filler had an entirely γ–δ duplex microstructure. Two approximately 1-inch thick 304L and SA508 plates approximately 12 by 6 square inches were joined using standard nuclear grade welding techniques. This included a post weld heat treatment of the 309L butter after application, a 0.32 cm fit-up root opening, and 57 bead lines of 308L groove filler applied in 18 layers. A 60 degree weld bevel angle was used and the 309L butter was 1.5 cm thick. Displacement cascade damage was induced using proton irradiation at the Michigan Ion Beam Laboratory. The incident proton energy was 2 MeV, the sample temperature was 360 ºC, and the calculated dpa value at 10 μm (60% of the Bragg peak depth of ~18 μm) was 5 dpa using the quick Kinchin-Pease model. Proton irradiation to this damage level required approximately 125 hours of beam time. Two types of samples were irradiated, tensile specimens and TEM bars. Samples were selected from all regions of the weldment, including the SA508-309L butter interface, the 309L-308L interface, and 308L-304L interface. The stainless steel alloys (304L, 308L, and 309L) within the heat affected zone are characterized by a duplex skeletal morphology of δ-ferrite and γ-austenite resulting from the recrystallization associated with weld fabrication. Approximately 7 to 8 mm of length along the specimen was irradiated. The gauge volume surfaces were mechanically polished and then electro-polished to remove mechanical damage from the mechanical polishing step prior to irradiation. Immersion tests were performed in a recirculating autoclave under BWR NWC conditions (2000 ppb wt. dissolved oxygen, neutral pH, 288 ºC, 10 MPa, and inlet water conductivity <100 nS/cm) to accelerate corrosion. Constant strain rate tests were performed either to failure or to approximately 5% strain. Strain rates of 10 -7 to 10 -6 mm/mm/s were used and typical immersion testing required four to six weeks to achieve failure or strains near 5%. Analysis primarily used advanced electron microscopy techniques of FIB lift out specimens.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Autonomous Inversion of In Situ Deformation Measurement Data for Injection-Induced Stress Change

Geologic carbon storage (GCS) is likely to play a key part of the global effort to dramatically reduce CO2 emissions and perhaps even reduce atmospheric CO2 concentrations through carbon negative operations. A critical part of effort to commercialize and widely deploy this technology is developing the capability to rapidly assimilate real-time monitoring data into a form that will enable site operators to make decisions to manage the safe and efficient operations. Two of the risks associate with GCS are the risk of inducing fractures in the sealing formations that can create leakage pathways and the risk of inducing earthquakes of sufficient magnitude to cause public concern, property damage, or safety risks. To properly manage these risks the site operator needs to know the initial state of stress, the change in stress induced by injection, and the relationship between operational parameters such as injection rate and pressure and the change in stress. Current methods of estimating the change in stress require choosing the type of constitutive model and the model parameters based on core, log, and geophysical data during the characterization phase, with little feedback from operational observations to validate or refine these choices. These characterization methods interrogate the geologic formations using length scales, loading rates or magnitudes that are quite different from those encountered by the actual storage system. It is shown that errors in the assumed constitutive response, even when informed by laboratory tests on core samples, are likely to be common, large, and underestimate the magnitude of stress change caused by injection. Recent advances in borehole-based strain instruments and borehole and surface-based tilt and displacement instruments have now enabled monitoring of the deformation of the storage system throughout its operational lifespan. This data can enable validation and refinement of the knowledge of the geomechanical properties and state of the system, but brings with it a challenge to transform the raw data into actionable knowledge. We demonstrate a method that uses automatic differentiation and a finite-element based geomechanical model perform a gradient-based deterministic inversion of geomechanical monitoring data. This approach allows autonomous integration of the instrument data without the need for time consuming manual interpretation and selection of updated model parameters. Furthermore, only isotropic linear elasticity is considered in this paper, the approach presented is very flexible as to what type of geomechanical constitutive response can be used. The approach is easily adaptable to nonlinear physics-based constitutive models to account for common rock behaviors such as creep and plasticity. The approach also enables training of machine learning-based constitutive models by allowing back propagation of errors through the finite element calculations. This enables strongly enforcing known physics, such as conservation of momentum and continuity, while allowing data-driven models to learn the truly unknown physics such as the constitutive or petrophysical responses.

Burghardt, Jeffrey A.↗