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DOE OSTI2018

Room-Temperature Charpy Impact Property of 3D-Printed 15-5 Stainless Steel

In this study, the room-temperature Charpy impact property of 3D-printed 15-5 stainless steel was investigated by a combined experimental and finite element modeling approach. The experimentally measured impact energy is 10.85 ± 1.20 J/cm{sup 2}, which is comparable to the conventionally wrought and non-heat treated 15-5 stainless steel. In parallel to the impact test experiment, a finite element model using the Johnson–Cook material model with damage parameters was developed to simulate the impact test. The simulated impact energy is 10.46 J/cm{sup 2}, which is in good agreement with the experimental data. The fracture surface from the experimentally tested specimen suggests that the 3D-printed specimens undergo predominately brittle fracture.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Light Water Reactor Sustainability Program: Grizzly Year-End Progress Report

The Grizzly software application is being developed under the Light Water Reactor Sustainability (LWRS) program to address aging and material degradation issues that could potentially become an obstacle to life extension of nuclear power plants beyond 60 years of operation. Grizzly is based on INL’s MOOSE multiphysics simulation environment, and can simultaneously solve a variety of tightly coupled physics equations, and is thus a very powerful and flexible tool with a wide range of potential applications. Grizzly, the development of which was begun during fiscal year (FY) 2012, is intended to address degradation in a variety of critical structures. The reactor pressure vessel (RPV) was chosen for an initial application of this software. Because it fulfills the critical roles of housing the reactor core and providing a barrier to the release of coolant, the RPV is clearly one of the most safety-critical components of a nuclear power plant. In addition, because of its cost, size and location in the plant, replacement of this component would be prohibitively expensive, so failure of the RPV to meet acceptance criteria would likely result in the shutting down of a nuclear power plant. The current practice used to perform engineering evaluations of the susceptibility of RPVs to fracture is to use the ASME Master Fracture Toughness Curve (ASME Code Case N-631 Section III). This is used in conjunction with empirically based models that describe the evolution of this curve due to embrittlement in terms of a transition temperature shift. These models are based on an extensive database of surveillance coupons that have been irradiated in operating nuclear power plants, but this data is limited to the lifetime of the current reactor fleet. This is an important limitation when considering life extension beyond 60 years. The currently available data cannot be extrapolated with confidence further out in time because there is a potential for additional damage mechanisms (i.e. late blooming phases) to become active later in life beyond the current operational experience. To develop a tool that can eventually serve a role in decision-making, it is clear that research and development must be perfomed at multiple scales. At the engineering scale, a multiphysics analysis code that can capture the thermomechanical response of the RPV under accident conditions, including detailed fracture mechanics evaluations of flaws with arbitrary geometry and orientation, is needed to assess whether the fracture toughness, as defined by the master curve, including the effects of embrittlement, is exceeded. At the atomistic scale, the fundamental mechanisms of degradation need to be understood, including the effects of that degradation on the relevant material properties. In addition, there is a need to better understand the mechanisms leading to the transition from ductile to brittle fracture through improved continuum mechanics modeling at the fracture coupon scale. Work is currently being conducted at all of these levels with the goal of creating a usable engineering tool informed by lower length-scale modeling. This report summarizes progress made in these efforts during FY 2013.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Uncertainty quantification for competing failure mechanisms in unidirectionally reinforced carbon–carbon composites

Microstructure-informed finite element models play a key role in the carbon–carbon composite design process. Variability in manufacturing process parameters and experimental limitations introduce model parameter uncertainty. This study quantifies the effect of model parameter uncertainty on transverse tensile fracture behavior and proposes a methodology to predict the failure mode based on competing microscale damage mechanisms. Finite element simulations incorporate fiber–matrix interface debonding with cohesive zones and matrix damage with a smeared crack band approach in a unidirectional carbon–carbon composite. Results from a variance-based global sensitivity analysis identifies interfacial and matrix damage parameters as the primary source of variability in fracture behavior. Sobol’ indices indicate that matrix and cohesive zone strengths contribute 94% of the variance in the effective ultimate stress. A local analysis elucidates the relationship between these constituent strength parameters and failure mode by estimating the probability of cohesive, matrix, and mixed-mode dominated failure. Based on the results for 4000 simulations, 93% exhibit mixed-mode or interfacial dominated failure, which underscores the crucial role of fiber–matrix interface debonding in the transverse tensile failure of carbon–carbon composites. These uncertainty quantification results facilitate more efficient model calibration and provide a framework for microstructure-informed failure predictions in the face of manufacturing-induced uncertainty.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Subsurface Characterization and Machine Learning Predictions at Brady Hot Springs: Preprint

Subsurface data analysis, reservoir modeling, and machine learning (ML) techniques have been applied to the Brady Hot Springs (BHS) geothermal field in Nevada, USA to further characterize the subsurface and assist with optimizing reservoir management. Hundreds of reservoir simulations have been conducted in TETRAD-G and CMG STARS to explore different injection and production fluid flow rates and allocations and to develop a training data set for ML. This process included simulating the historical injection and production since 1979 and prediction of future performance through 2040. ML networks were created and trained using TensorFlow based on multilayer perceptron (MLP), long short-term memory (LSTM), and convolutional neural network (CNN) architectures. These networks took as input selected flow rates, injection temperatures, and historical field operation data and produced estimates of future production temperatures. This approach was first successfully tested on a simplified single fracture doublet system, followed by the application to the BHS reservoir. Using an initial BHS dataset with 37 simulated scenarios, the trained and validated network predicted the production temperature for 6 production wells with the mean absolute percentage error of less than 8%. In a complementary analysis effort, the principal component analysis applied to 13 BHS geological parameters revealed that vertical fracture permeability shows the strongest correlation with fault density and fault intersection density. A new BHS reservoir model was developed considering the fault intersection density as proxy for permeability. This new reservoir model helps to explore under-exploited zones in the reservoir. A data gathering plan to obtain additional subsurface data was developed; it includes temperature surveying for three idle injection wells, at which the reservoir simulations indicate high bottom-hole temperatures. The collected data assist with calibrating the reservoir model and may lead to converting these wells to producers to access under-exploited zones in the reservoir. Data gathering activities are planned for the first quarter of 2021.

40 EE - Geothermal Technologies Office (EE-4G)↗

DOE OSTI2024

Accelerating Multiphase Simulations With Denoising Diffusion Model Driven Initializations

This study introduces a hybrid fluid simulation approach that integrates generative diffusion models with physics‐based simulations, aiming at reducing the computational costs of flow simulations while still honoring all the physical properties of interest. Pore‐scale simulations enhance our understanding of applications such as assessing hydrogen and storage efficiency in underground reservoirs. Nevertheless, they are computationally expensive and the presence of non‐unique solutions can require multiple simulations within a single geometry. To overcome the computational cost hurdle, we propose a method that couples generative diffusion models and physics‐based simulations. While training the data‐driven model, we simultaneously generate initial conditions and perform physics‐based simulations using these. This integrated approach enables us to receive real‐time feedback on a single compute node equipped with both CPUs and GPUs. By efficiently managing these processes within a single compute node, we can continuously monitor performance and halt training once the model meets the specified criteria. To test our model, we generate realizations in a real Berea sandstone fracture which shows that our technique is up to 4.4 times faster than commonly used flow simulation initializations.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Study of a flight monitor for jet engine disk cracks using the critical length criterion of fracture mechanics

A disk crack detector is discussed which is intended to operate while in flight. The crack detector monitors the disk rim for radial surface cracks emanating from the blade root interface. An eddy current type sensor with a remotely located capacitance-resistance bridge and signal analyzer is able to detect reliably a simulated crack 1/8 in. long. The sensor was tested at rim velocities of 600 fps and at 1000 F. Fracture mechanics is used to calculate the critical crack length. Knowledge of the crack growth rate permits the calculation of the number of stress cycles remaining for the detected crack to grow to critical size. A plot is presented of the remaining life as a function of the critical crack length and the operating stress. It is shown that for a disk of Inconel 718 a through-the-thickness crack operating under a rim stress of 50 kpsi has a critical length of 0.7-in. and a remaining life of 130 flights.

Barranger, J. P.↗

NASA NTRS2002

Cryogenic Fracture Toughness Improvement for the Super Lightweight Tank's Main Structural Alloy

Marshall Space Flight Center has developed a two-step (TS) artificial aging technique that can significantly enhance cryogenic fracture toughness and resistance to stress corrosion cracking (SCC) in aluminum-copper-lithium alloy 2195. The new TS aging treatment consists of exposures at 132 C (270 F)/20 hr + 138 C (280 F)/42 hr, which can be readily applied to flight hardware production. TS aging achieves the same yield strength levels as conventional aging, while providing much improved ductility in the short transverse direction. After TS aging, five previously rejected lots of alloy 2195 (lots 950M029B, 960M030F, 960M030J, 960M030K, and 960M030L) passed simulated service testing for use in the super lightweight tank program. Each lot exhibited higher fracture toughness at cryogenic temperature than at ambient temperature. Their SCC resistance was also enhanced. All SCC specimens passed the minimum 10-day requirement in 3.5-percent sodium chloride alternate immersion at a stress of 45 ksi. The SCC lives ranged from 57 to 83 days, with an average of 70 days.

Chen, P. S.↗

DOE OSTI2017

Scaling invariance of spherical projectile fragmentation upon high-velocity impact on a thin continuous shield

The problem of aluminum projectile fragmentation upon high-velocity impact on a thin aluminum shield is considered. A distinctive feature of this description is that the fragmentation has been numerically simulated using the complete system of equations of deformed solid mechanics by a method of smoothed particle hydrodynamics in three-dimensional setting. The transition from damage to fragmentation is analyzed and scaling relations are derived in terms of the impact velocity (V), ratio of shield thickness to projectile diameter (h/D), and ultimate strength (σ{sub p}) in the criterion of projectile and shield fracture. Analysis shows that the critical impact velocity V{sub c} (separating the damage and fragmentation regions) is a power function of σ{sub p} and h/D. In the supercritical region (V > V{sub c}), the weight-average fragment mass asymptotically tends to a power function of the impact velocity with exponent independent of h/D and σ{sub p}. Mean cumulative fragment mass distributions at the critical point are scale-invariant with respect to parameters h/D and σ{sub p}. Average masses of the largest fragments are also scale-invariant at V > V{sub c}, but only with respect to variable parameter σ{sub p}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Physical Constraints on Geologic CO2 Sequestration in Low-Volume Basalt Formations

Deep basalt formations within large igneous provinces have been proposed as target reservoirs for carbon capture and sequestration on the basis of favorable CO2-water-rock reaction kinetics that suggest carbonate mineralization rates on the order of 102–103 d. Although these results are encouraging, there exists much uncertainty surrounding the influence of fracture-controlled reservoir heterogeneity on commercial-scale CO2 injections in basalt formations. This work investigates the physical response of a low-volume basalt reservoir to commercial-scale CO2 injections using a Monte Carlo numerical modeling experiment such that model variability is solely a function of spatially distributed reservoir heterogeneity. Fifty equally probable reservoirs are simulated using properties inferred from the deep eastern Snake River Plain aquifer in southeast Idaho, and CO2 injections are modeled within each reservoir for 20 yr at a constant mass rate of 21.6 kg s–1. Results from this work suggest that (1) formation injectivity is generally favorable, although injection pressures in excess of the fracture gradient were observed in 4% of the simulations; (2) for an extensional stress regime (as exists within the eastern Snake River Plain), shear failure is theoretically possible for optimally oriented fractures if Sh is less than or equal to 0.70SV; and (3) low-volume basalt reservoirs exhibit sufficient CO2 confinement potential over a 20 yr injection program to accommodate mineral trapping rates suggested in the literature.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2014

Utilization of the St. Peter Sandstone in the Illinois Basin for CO2 Sequestration

This project is part of a larger project co-funded by the United States Department of Energy (US DOE) under cooperative agreement DE-FE0002068 from 12/08/2009 through 9/31/2014. The study is to evaluate the potential of formations within the Cambro-Ordovician strata above the Mt. Simon Sandstone as potential targets for carbon dioxide (CO2) sequestration in the Illinois and Michigan Basins. This report evaluates the potential injectivity of the Ordovician St. Peter Sandstone. The evaluation of this formation was accomplished using wireline data, core data, pressure data, and seismic data acquired through funding in this project as well as existing data from two additional, separately funded projects: the US DOE funded Illinois Basin – Decatur Project (IBDP) being conducted by the Midwest Geological Sequestration Consortium (MGSC) in Macon County, Illinois, and the Illinois Industrial Carbon Capture and Sequestration (ICCS) Project funded through the American Recovery and Reinvestment Act (ARRA), which received a phase two award from DOE. This study addresses the question of whether or not the St. Peter Sandstone may serve as a suitable target for CO2 sequestration at locations within the Illinois Basin where it lies at greater depths (below the underground source of drinking water (USDW)) than at the IBDP site. The work performed included numerous improvements to the existing St. Peter reservoir model created in 2010. Model size and spatial resolution were increased resulting in a 3 fold increase in the number of model cells. Seismic data was utilized to inform spatial porosity distribution and an extensive core database was used to develop porosity-permeability relationships. The analysis involved a Base Model representative of the St. Peter at “in-situ” conditions, followed by the creation of two hypothetical models at in-situ + 1,000 feet (ft.) (300 m) and in-situ + 2,000 ft. (600 m) depths through systematic depthdependent adjustment of the Base Model parameters. Properties for the depth shifted models were based on porosity versus depth relationship extracted from the core database followed by application of the porosity-permeability relationship. Each of the three resulting models were used as input to dynamic simulations with the single well injection target of 3.2 million tons per annum (MTPA) for 30 years using an appropriate fracture gradient based bottom hole pressure limit for each injection level. Modeling results are presented in terms of well bottomhole pressure (BHP), injection rate profiles, and three-dimensional (3D) saturation and differential pressure volumes at selected simulation times. Results suggest that the target CO2 injection rate of 3.2 MTPA may be achieved in the St. Peter Sandstone at in-situ conditions and at the in-situ +1,000 ft. (300 m) depth using a single injector well. In the latter case the target injection rate is achieved after a ramp up period which is caused by multi-phase flow effects and thus subject to increased modeling uncertainty. Results confirm that the target rate may not be achieved at the in-situ +2,000 ft. (600 m) level even with multiple wells. These new modeling results for the in-situ case are more optimistic than previous modeling results. This difference is attributed to the difference in methods and data used to develop model permeability distributions. Recommendations for further work include restriction of modeling activity to the in-situ +1,000 ft. (300 m) and shallower depth interval, sensitivity and uncertainty analysis, and refinement of porosity and permeability estimates through depth and area selective querying of the available core database. It is also suggested that further modeling efforts include scope for evaluating project performance in terms of metrics directly related to the Environmental Protection Agency (EPA) Class VI permit requirements for the area of review (AoR) definition and post injection site closure monitoring.

Will, Robert↗

DOE OSTI2022

Effect of microstructure on fatigue crack propagation in additive manufactured nickel-based superalloy Haynes 282: an experiment and crystal plasticity study

Haynes 282 is a γ' precipitation-strengthened nickel-based superalloy known for its exceptional high-temperature creep resistance and excellent fabricability. Recent advancements in powder-bed fusion-based additive manufacturing (PBF-AM) have enabled the fabrication of Haynes 282 with accurate, site-specific control of the grain orientation and morphology at the microscale. This ability opens up new avenues for microstructure design, to improve the material’s fatigue crack resistance and service life. This paper investigates the fatigue crack growth behavior of hybrid microstructure Haynes 282 fabricated via PBF-AM. Previous experiments revealed a higher crack propagation rate in the coarse columnar-grained microstructural regions when compared against fine-grained areas. Here, a strain gradient crystal plasticity model was adapted to study the fracture-related mechanical fields at the crack tip in the two microstructures. The simulation results showed a consistent influence of grain structure and texture on crack propagation, as was seen in the experiment. The model analysis revealed higher crack propagation driving force along crack direction in the coarse-grained sharply textured microstructure and higher driving force for crack kinking in fine-grained more diffusely textured microstructure, which is ascribed to the combined effect of yield stress, hardening rate, texture and grain morphology. The presented modeling approach will facilitate the development of the AM-based accurate microstructure design by deepening the fundamental study in AM-specific microstructure-properties relations.

36 MATERIALS SCIENCE↗

DOE OSTI2022

3D Simulations of gas injection on callovo-oxfordian claystone assuming spatial heterogeneity and anisotropy

A series of gas injection tests on Callovo-Oxfordian (COx) claystone from the Bure underground research laboratory (URL) in France were carried out at the British Geological Survey (BGS). The tests were performed using a triaxial apparatus specifically designed to capture small volumetric strains induced by the injected gas flow and consequent material dilatancy. The long-duration experiments were monitored throughout. Measurements also included pressure, stresses (axial and radial stresses prescribed for each test stage), rate of gas inflow, gas outflow volume as well as pore-pressures observed at various points of the sample. A coupled hydro-gas-mechanical 3D numerical model has been developed to simulate the tests. Initial permeability is assumed heterogeneous throughout the specimen and embedded fractures are incorporated in the formulation. Gas pressure-induced deformations during the test lead to variations of permeability due to changes in matrix porosity and, especially, fracture aperture as well as fracture orientation due to material anisotropy. A programme of sensitivity analyses involving the variation of different aspects and parameters of the model contributes to a better understanding of the phenomena and highlights its complexity. The model is able to reproduce the observed behaviour of the tests.

58 GEOSCIENCES↗

DOE OSTI2017

Fully coupled two-phase flow and poromechanics modeling of coalbed methane recovery: Impact of geomechanics on production rate

This study presents the development and application of a fully coupled two-phase (methane and water) flow, transport, and poromechanics num erical model for the analysis of geomechanical impacts on coalbed methane (CBM) production. The model considers changes in two-phase fluid flow properties, i.e., coal porosity, permeability, water retention, and relative permeability curves through changes in cleat fractures induced by effective stress variations and desorption-induced shrinkage. The coupled simulator is first verified for poromechanics coupling, and simulation parameters of a CBM reservoir model are calibrated by history matching against one year of CBM production field data from Shanxi Province, China. Then, the verified simulator and the calibrated CBM reservoir model are used for predicting the impact of geomechanics on the production rate for twenty years of continuous CBM production. The simulation results show that desorption-induced shrinkage is the dominant process in increasing permeability in the near wellbore region. Away from the wellbore, desorption-induced shrinkage is weaker, and permeability is reduced by pressure depletion and increased effective stress. A sensitivity analysis shows that for coal with a higher sorption strain, a larger initial Young's modulus and a smaller Poisson's ratio promote the enhancement of permeability as well as an increased production rate. Moreover, the conceptual model of the cleat system, whether dominated by vertical cleats with permeability correlated to horizontal stress or with permeability correlated to mean stress, can have a significant impact on the predicted production rate. Overall, the study clearly demonstrates and confirms the critical importance of considering geomechanics for an accurate prediction of CBM production.

03 NATURAL GAS↗

DOE OSTI2026

From Points to Planes: A Workflow for Converting Three‐Dimensional Point Cloud Data Into Discrete Fracture Network Flow and Transport Models

We present the Point cLoud Algorithm for NEtwork Extraction of Discrete Fracture Networks (PLANE-DFN), a point cloud–based algorithm for automatic fracture network extraction designed to support discrete fracture network (DFN) modeling workflows. PLANE-DFN segments three-dimensional fracture planes from raw point cloud data using RANdom SAmple Consensus coupled with statistical outlier removal and density-based clustering to isolate individual fracture features. Each candidate plane is constrained against site-specific structural constraints based on strike and dip. After segmentation, each fracture is converted into a 2-D convex polygon suitable for meshing and simulation. The PLANE-DFN algorithm is validated by comparing geometric and flow and transport data against data from dfnWorks simulations with ensembles of plane-fit networks. We find that the flow and transport in plane-fit networks are comparable to dfnWorks-generated networks when realistic network geometry is maintained. The PLANE-DFN algorithm provides an automated and streamlined workflow to transform point clouds of data into DFN network geometry.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Failure in Confined Brazilian Tests on Sandstone

Strength of rocks in the confined tension region, where the minimum principal stress is tensile, has only infrequently been measured and is not well understood. Quasi-static confined Brazilian tests under a range of confining stresses (2.76 to 27.58 MPa) where used to determine the strength of sandstone in the confined tension region. The test results indicate that the strength in the confined tension region was a strong function of the intermediate principal stress: increasing the intermediate principal stress significantly increased the strength of the sandstone. The strength data were well fit by the Mogi–Coulomb criterion, which accounts for the intermediate principal stress. Unconfined Brazilian strength data were not well fit to the Mogi–Coulomb criterion derived from the confined Brazilian test data, consistent with a transition from tensile to shear processes dominating failure with increasing confining pressure. Observations of post-failure fracture surfaces reveal more indication of shear processes with increasing confining pressure. Numerical simulations from combined finite-discrete element method are compared to the experimental results and reflect similar conditions for failure compared to the experimental tests in the confined tension region.

42 ENGINEERING↗

NASA NTRS1980

Topographic domes on Ganymede - Ice vulcanism or isostatic upwarping

Two formation processes are considered for two gently sloping domeshaped features on the surface of Ganymede, lying on grooved terrain and having diameters of roughly 250 km: (1) water vulcanism, triggered by a major impact, and (2) the isostatic upwarping of a crater formed in a thin crust. Numerical simulations show the volume of the domes to be consistent with eruption through fractures created by an impact that excavates partly through a thin crust. Isostatic upwarp rates calculated as a function of effective crustal temperature indicate that upwarping could also create such a dome if the impact excavated to a depth where the crust was sufficiently warm and mobile. Morphologic evidence suggests that both processes may have been important and, if either of the proposed models is correct, it is strongly implied that grooved terrain formation occurred prior to the thickening and stiffening of Ganymede's crust.

Squyres, S. W.↗

NASA NTRS1989

Probabilistic analysis for fatigue strength degradation of materials

This report presents the results of the first year of a research program conducted for NASA-LeRC by the University of Texas at San Antonio. The research included development of methodology that provides a probabilistic treatment of lifetime prediction of structural components of aerospace propulsion systems subjected to fatigue. Material strength degradation models, based on primitive variables, include both a fatigue strength reduction model and a fatigue crack growth model. Linear elastic fracture mechanics is utilized in the latter model. Probabilistic analysis is based on simulation, and both maximum entropy and maximum penalized likelihood methods are used for the generation of probability density functions. The resulting constitutive relationships are included in several computer programs, RANDOM2, RANDOM3, and RANDOM4. These programs determine the random lifetime of an engine component, in mechanical load cycles, to reach a critical fatigue strength or crack size. The material considered was a cast nickel base superalloy, one typical of those used in the Space Shuttle Main Engine.

Royce, Lola↗

NASA NTRS2002

Core Research Program, Year 5

Dramatic losses of bone mineral density (BMD) and muscle strength are two of the best documented changes observed in humans after prolonged exposure to microgravity. Recovery of muscle upon return to a 1-G environment is well studied, however, far less is known about the rate and completeness of BMD recovery to pre-flight values. Using the mature tail-suspended adult rat model, this proposal will focus on the temporal course of recovery in tibial bone following a 28-d period of skeletal unloading. Through the study of bone density and muscle strength in the same animal, time-points during recovery from simulated microgravity will be identified when bone is at an elevated risk for fracture. These will occur due to the rapid recovery of muscle strength coupled with a slower recovery of bone, producing a significant mismatch in functional strength of these two tissues. Once the time-point of maximal mismatch is defined, various mechanical and pharmacological interventions will be tested at and around this time-point in attempt to minimize the functional difference of bone and muscle. The outcomes of this research will have high relevance for optimizing the rehabilitation of astronauts upon return to Earth, as well as upon landing on the Martian surface before assuming arduous physical tasks. Further. it will impact significantly on rehabilitation issues common to patients experiencing long periods of limb immobilization or bed rest.

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