Reactive transport modeling involving precipitation and dissolution in porous and fractured media
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Yoon, Hongkyu↗
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Environmental Barrier Coating Fracture, Fatigue and High-Heat-Flux Durability Modeling and Stochastic Progressive Damage Simulation
Advanced environmental barrier coatings will play an increasingly important role in future gas turbine engines because of their ability to protect emerging light-weight SiC/SiC ceramic matrix composite (CMC) engine components, further raising engine operating temperatures and performance. Because the environmental barrier coating systems are critical to the performance, reliability and durability of these hot-section ceramic engine components, a prime-reliant coating system along with established life design methodology are required for the hot-section ceramic component insertion into engine service. In this paper, we have first summarized some observations of high temperature, high-heat-flux environmental degradation and failure mechanisms of environmental barrier coating systems in laboratory simulated engine environment tests. In particular, the coating surface cracking morphologies and associated subsequent delamination mechanisms under the engine level high-heat-flux, combustion steam, and mechanical creep and fatigue loading conditions will be discussed. The EBC compostion and archtechture improvements based on advanced high heat flux environmental testing, and the modeling advances based on the integrated Finite Element Analysis Micromechanics Analysis Code/Ceramics Analysis and Reliability Evaluation of Structures (FEAMAC/CARES) program will also be highlighted. The stochastic progressive damage simulation successfully predicts mud flat damage pattern in EBCs on coated 3-D specimens, and a 2-D model of through-the-thickness cross-section. A 2-parameter Weibull distribution was assumed in characterizing the coating layer stochastic strength response and the formation of damage was therefore modeled. The damage initiation and coalescence into progressively smaller mudflat crack cells was demonstrated. A coating life prediction framework may be realized by examining the surface crack initiation and delamination propagation in conjunction with environmental degradation under high-heat-flux and environment load test conditions.
Mechanical creep and fatigue loading condition↗
3D modeling of deep borehole electromagnetic measurements with energized casing source for fracture mapping at the Utah Frontier Observatory for Research in Geothermal Energy
Here, we present a 3D numerical modelling analysis evaluating the deployment of a borehole electromagnetic measurement tool to detect and image a stimulated zone at the Utah Frontier Observatory for Research in Geothermal Energy geothermal site. As the depth to the geothermal reservoir is several kilometres and the size of the stimulated zone is limited to several 100 m, surface-based controlled-source electromagnetic measurements lack the sensitivity for detecting changes in electrical resistivity caused by the stimulation. To overcome the limitation, the study evaluates the feasibility of using a three-component borehole magnetic receiver system at the Frontier Observatory for Research in Geothermal Energy site. To provide sufficient currents inside and around the enhanced geothermal reservoir, we use an injection well as an energized casing source. To efficiently simulate energizing the injection well in a realistic 3D resistivity model, we introduce a novel modelling workflow that leverages the strengths of both 3D cylindrical-mesh-based electromagnetic modelling code and 3D tetrahedral-mesh-based electromagnetic modelling code. The former is particularly well-suited for modelling hollow cylindrical objects like casings, whereas the latter excels at representing more complex 3D geological structures. In this workflow, our initial step involves computing current densities along a vertical steel-cased well using a 3D cylindrical electromagnetic modelling code. Subsequently, we distribute a series of equivalent current sources along the well's trajectory within a complex 3D resistivity model. We then discretize this model using a tetrahedral mesh and simulate the borehole electromagnetic responses excited by the casing source using a 3D finite-element electromagnetic code. This multi-step approach enables us to simulate 3D casing source electromagnetic responses within a complex 3D resistivity model, without the need for explicit discretization of the well using an excessive number of fine cells. We discuss the applicability and limitations of this proposed workflow within an electromagnetic modelling scenario where an energized well is deviated, such as at the Frontier Observatory for Research in Geothermal Energy site. Using the workflow, we demonstrate that the combined use of the energized casing source and the borehole electromagnetic receiver system offer measurable magnetic field amplitudes and sensitivity to the deep localized stimulated zone. The measurements can also distinguish between parallel-fracture anisotropic reservoirs and isotropic cases, providing valuable insights into the fracture system of the stimulated zone. Besides the magnetic field measurements, vertical electric field measurements in the open well sections are also highly sensitive to the stimulated zone and can be used as additional data for detecting and imaging the target. We can also acquire additional multiple-source data by grounding the surface electrode at various locations and repeating borehole electromagnetic measurements. This approach can increase the number of monitoring data by several factors, providing a more comprehensive dataset for analysing the deep-localized stimulated zone. The numerical analysis indicates that it is feasible to use the combination of the energized casing and downhole electromagnetic measurements in monitoring localized stimulated zone at large depths.
58 GEOSCIENCES↗
Finite domain solution of a hydraulic fracture in a permeable rock
In this work, we present a domain-based algorithm to simulate the propagation of a plane-strain hydraulic fracture in a zero-toughness permeable elastic medium. The algorithm utilizes a domain-based method to solve the elasticity equation and integrates a multi-scale tip asymptote, which is particular to hydraulic fractures, into this framework. This integration is key to accurately model the energy dissipation and the fluid leak-off in the fracture tip region. The algorithm combines a 2D finite volume method (FVM) for solving the elasticity equation with a 1D FVM for solving the nonlinear lubrication equation. Incorporating the far-field asymptotics and using a moving-mesh scheme reduces the computational burden while improving the accuracy of the scheme. The paper concludes with an analysis of the numerical results. This study demonstrates the potential of this domain-based approach for modeling hydraulic fractures in poroelastic media.
Domain-based method↗
Wellbore cement fracture permeability as a function of confining stress and pore pressure
Cemented annulus fractures are a major leakage path in a wellbore system, and their permeability plays an important role in the behavior of fluid flow through a leaky wellbore. The permeability of these fractures is affected by changing conditions including the external stresses acting on the fracture and the fluid pressure within the fracture. Laboratory gas flow experiments were conducted in a triaxial cell to evaluate the permeability of a wellbore cement fracture under a wide range of confining stress and pore pressure conditions. For the first time, an effective stress law that considers the simultaneous effect of confining stress and pore pressure was defined for the wellbore cement fracture permeability. Here the results showed that the effective stress coefficient (λ) for permeability increased linearly with the Terzaghi effective stress ( -p) with an average of λ = 1 in the range of applied pressures. The relationship between the effective stress and fracture permeability was examined using two physical-based models widely used for rock fractures. The results from the experimental work were incorporated into numerical simulations to estimate the impact of effective stress on the interpreted hydraulic aperture and leakage behavior through a fractured annular cement. Accounting for effective stress-dependent permeability through the wellbore length significantly increased the leakage rate at the wellhead compared with the assumption of a constant cemented annulus permeability.
58 GEOSCIENCES↗
Molecular-dynamics Simulation-based Cohesive Zone Representation of Intergranular Fracture Processes in Aluminum
A traction-displacement relationship that may be embedded into a cohesive zone model for microscale problems of intergranular fracture is extracted from atomistic molecular-dynamics simulations. A molecular-dynamics model for crack propagation under steady-state conditions is developed to analyze intergranular fracture along a flat 99 [1 1 0] symmetric tilt grain boundary in aluminum. Under hydrostatic tensile load, the simulation reveals asymmetric crack propagation in the two opposite directions along the grain boundary. In one direction, the crack propagates in a brittle manner by cleavage with very little or no dislocation emission, and in the other direction, the propagation is ductile through the mechanism of deformation twinning. This behavior is consistent with the Rice criterion for cleavage vs. dislocation blunting transition at the crack tip. The preference for twinning to dislocation slip is in agreement with the predictions of the Tadmor and Hai criterion. A comparison with finite element calculations shows that while the stress field around the brittle crack tip follows the expected elastic solution for the given boundary conditions of the model, the stress field around the twinning crack tip has a strong plastic contribution. Through the definition of a Cohesive-Zone-Volume-Element an atomistic analog to a continuum cohesive zone model element - the results from the molecular-dynamics simulation are recast to obtain an average continuum traction-displacement relationship to represent cohesive zone interaction along a characteristic length of the grain boundary interface for the cases of ductile and brittle decohesion. Keywords: Crack-tip plasticity; Cohesive zone model; Grain boundary decohesion; Intergranular fracture; Molecular-dynamics simulation
Yamakov, Vesselin I.↗
A multi-resolution approach to hydraulic fracture simulation
Abstract We present a multi-resolution approach for constructing model-based simulations of hydraulic fracturing, wherein flow through porous media is coupled with fluid-driven fracture. The approach consists of a hybrid scheme that couples a discrete crack representation in a global domain to a phase-field representation in a local subdomain near the crack tip. The multi-resolution approach addresses issues such as the computational expense of accurate hydraulic fracture simulations and the difficulties associated with reconstructing crack apertures from diffuse fracture representations. In the global domain, a coupled system of equations for displacements and pressures is considered. The crack geometry is assumed to be fixed and the displacement field is enriched with discontinuous functions. Around the crack tips in the local subdomains, phase-field sub-problems are instantiated on the fly to propagate fractures in arbitrary, mesh independent directions. The governing equations and fields in the global and local domains are approximated using a combination of finite-volume and finite element discretizations. The efficacy of the method is illustrated through various benchmark problems in hydraulic fracturing, as well as a new study of fluid-driven crack growth around a stiff inclusion.
58 GEOSCIENCES↗
Fabric controls on fracture surface roughness of an architected rock material
Fluid flow through fractures is intimately linked to the fracture surfaces that define the void geometry through which fluids flow. Thus, an understanding of what controls fracture surface roughness is essential to the development of models for predicting fluid transport through fractured rock. The difficulty in predicting surface roughness arises from the complexity of rock which is inherently heterogeneous and nonuniform in composition, fabric, and structural components, even when samples are acquired from the same rock mass. Here, a benchmarked-simulation approach motivated from geo-architected 3D printed synthetic gypsum rocks is used to provide insight into the competing contributions from fabric and layering on fracture roughness formation. Simulation results from a discrete element model (Particle Flow Code, Itasca Consulting Group, Inc.) clearly indicate that the relative orientation between mineral layers and in-layer mineral fabric, and the variability in mineral bonding strengths determine whether anisotropic corrugated surfaces or isotropic surfaces are formed. Weak mineral layers oriented perpendicular to the applied load resulted in strong roughness anisotropy. Peak failure loads were found to vary up to 30% depending on the strength of the mineral fabric at the location of fracture initiation, which provides insight into the observed high variability in strength values of natural rock. The uniqueness of induced fracture roughness and peak failure load is intimately linked to layering, mineral fabric, and their distribution in the rock. These findings have important implications for any architected material fabricated through serial printing of layers with local compositional heterogeneity.
3D printed rock↗
A Flexible Method for Producing F.E.M. Analysis of Bone Using Open-Source Software
Individuals who experience decreases in load-bearing bone densities can be subject to a higher risk of bone fracture during daily activity. Astronauts may lose up to nine percent of their load-bearing bone density for every month they spend in space [1]. Because of this, specialized countermeasures reduce percent loss in bone density and reduce fracture risk upon returning to Earth. Astronauts will typically not be at risk for fracture during spaceflight, because of the lesser loads experienced in microgravity conditions. However, once back on Earth, astronauts have an increased risk for bone fracture as a result of weakened bone and return to 1G conditions [2]. It is therefore important to understand the significance of any bone density loss in addition to developing exercises in an attempt to limit losses in bone strength. NASA seeks to develop a deeper understanding of fracture risk through the development of a computational bone strength model to assess the bone fracture risk of astronauts pre-flight and post-flight. This study addresses the several key processes needed to develop such strength analyses using medical image processing and finite element modeling.
biomechanics↗
Injection Parameters That Promote Branching of Hydraulic Cracks
Fluid injection into rock formations can either produce complex branched hydraulic fractures, create simple planar fractures, or be dominated by porous diffusion. Currently, the optimum injection parameters to create branched fractures are unknown. We conducted repeatable hydraulic fracturing experiments using analog-rock samples with controlled heterogeneity to quantify the fluid parameters that promote fracture branching. A large range of injection rates and fluid viscosities were used to investigate their effects on induced fracture patterns. Paired with a simple analytical model, our results identify the threshold at which fracture transitions from an isolated planar crack to branched cracks when closed natural fractures exist. These results demonstrate that this transition can be controlled by injection rate and fluid viscosity. In relation to the field practices, the present model predicts slickwater and lower viscosity fluid injections promote fracture branching, with the Marcellus shale used as an example.
58 GEOSCIENCES↗
Probabilistic Risk Assessment of Aging Layered Pressure Vessels
The National Aeronautics and Space Administration (NASA) operates approximately 300 aging layered pressure vessels that were designed and manufactured prior to ASME Boiler and Pressure Vessel (B&PV) code requirements. In order to make decisions regarding the continued fitness-for-service of these non-code carbon steel vessels, it is necessary to perform a relative risk of failure assessment for each vessel. However, risk assessment of these vessels is confounded by uncertainties and variabilities related to the use of proprietary materials in fabrication, missing construction records, geometric discontinuities, weld residual stresses, and complex service stress gradients in and around the welds. Therefore, a probabilistic framework that can capture these uncertainties and variabilities has been developed to assess the fracture risk of flaws in regions of interest, such as longitudinal and circumferential welds, using the NESSUS® probabilistic modeling software and NASGRO® fracture mechanics software. In this study, the probabilistic framework was used to predict variability in the stress intensity factor associated with different reference flaws located in the head-to-shell circumferential welds of a 4-layer and 14-layer pressure vessel. The probabilistic studies predict variability in flaw behavior and the important uncertain parameters for each reference flaw location.
Riha, D. S.↗
Some design considerations for ceramic components in heat engine applications
The design methodology for brittle material structures which is being developed and used at the Lewis Research Center for sizing ceramic components in heat engine applications is reviewed. Theoretical aspects of designing with structural ceramics are discussed, and a general purpose reliability program for predicting fast fracture response due to volume distributed flaws is described. Statistical treatment of brittle behavior, based on the Weibull model, is reviewed and its advantages, as well as drawbacks, are listed. A mechanistic statistical fracture theory, proposed by Batdorf to overcome the Weibull model limitations and based on Griffith fracture mechanics, is summarized. Failure probability predictions are made for rotating annular Si3N4 disks using various fracture models, and the results are compared to actual failure data. The application of these design methods to Government funded ceramics engine demonstration programs is surveyed. The uncertainty in observed component performance emphasizes the need for proof testing and improved nondestructive evaluation to guarantee adequate structural integrity.
Gyekenyesi, John P.↗
A mineral precipitation model based on the volume of fluid method
A novel volume of fluid method is presented for mineral precipitation coupled with fluid flow and reactive transport. The approach describes the fluid-solid interface as a smooth transitional region, which is designed to provide the same precipitation rate and viscous drag force as a sharp interface. Specifically, the governing equation of mineral precipitation is discretized by an upwind scheme, and a rigorous effective viscosity model is derived around the interface. The model is validated against analytical solutions for mineral precipitation in channel and ring-shaped structures. It also compares well with interface tracking simulations of advection-diffusion-reaction problems. Here, the methodology is finally employed to model mineral precipitation in fracture networks, which is challenging due to the low porosity and complex geometry. Compared to other approaches, the proposed model has a concise algorithm and contains no free parameters. In the modeling, only the pore space requires meshing, which improves the computational effciency especially for low-porosity media.
58 GEOSCIENCES↗
Multiscale Modeling of Cr 2 O 3 -doped UO 2 Creep and Fracture
The pursuit of UO 2 fuel with various dopants (e.g., Cr 2 O 3 , Al 2 O 3 ) for improved accident tolerance due to larger grain sizes and suspected reductions in fission gas release and creep requires advanced modeling and simulation tools. These tools enable rapid multiscale development and understanding of material behavior in regimes where experimental measurements may be lacking. This work builds upon previous multiscale modeling efforts for fission gas behavior of Cr 2 O 3 -doped UO 2 to begin looking at the effects of dopants on mechanical properties with a particular focus on creep and fracture. The results indicate that dislocation climb is the most dominate creep mechanism at almost all temperatures with sensitivity analyses further providing evidence in support of that claim. Limited experimental data from the Advanced Fuels Campaign (AFC) program in the U. S. Department of Energy on tensile strength of Cr 2 O 3 -doped UO 2 indicates that fracture may be less severe in doped specimens. The results on creep and fracture are preliminary given the large uncertainty associated with the models.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
A surrogate model for predicting ground surface deformation gradient induced by pressurized fractures
Not Available
58 GEOSCIENCES↗
Design for inadvertent damage in composite laminates
Simplified predictive methods and models to computationally simulate durability and damage in polymer matrix composite materials/structures are described. The models include (1) progressive fracture, (2) progressively damaged structural behavior, (3) progressive fracture in aggressive environments, (4) stress concentrations, and (5) impact resistance. Several examples are included to illustrate applications of the models and to identify significant parameters and sensitivities. Comparisons with limited experimental data are made.
Singhal, Surendra N.↗
Full-field quantitative visualization of shock-driven pore collapse and failure modes in PMMA
The dynamic collapse of pores under shock loading is thought to be directly related to hot spot generation and material failure, which is critical to the performance of porous energetic and structural materials. However, the shock compression response of porous materials at the local, individual pore scale is not well understood. This study examines, quantitatively, the collapse phenomenon of a single spherical void in PMMA at shock stresses ranging from 0.4 to 1.0 GPa. Using a newly developed internal digital image correlation technique in conjunction with plate impact experiments, full-field quantitative deformation measurements are conducted in the material surrounding the collapsing pore for the first time. The experimental results reveal two failure mode transitions as shock stress is increased: (i) the first in situ evidence of shear localization via adiabatic shear banding and (ii) dynamic fracture initiation at the pore surface. Numerical simulations using thermo-viscoplastic dynamic finite element analysis provide insights into the formation of adiabatic shear bands (ASBs) and stresses at which failure mode transitions occur. Further numerical and theoretical modeling indicates the dynamic fracture to occur along the weakened material inside an adiabatic shear band. Finally, analysis of the evolution of pore asymmetry and models for ASB spacing elucidate the mechanisms for the shear band initiation sites, and elastostatic theory explains the experimentally observed ASB and fracture paths based on the directions of maximum shear.
42 ENGINEERING↗
Multiscale modeling for high burnup structure formation and associated pulverization
This report summarizes the lower length scale modeling work performed in the fiscal year 2023 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to capture the microstrutural evolution and associated pulverization criteria in the high burnup regions. This year, the resolution mechanisms within the cluster dynamics code has been updated and it influence on the bubble growth in HBS regions at the mesoscale is studied. To improve the accuracy of phase-field models of fission gas bubble growth, a new Helmholtz free energy for high-density Xe gas is derived from a virial equation of state. Two previously used strategies for representing net vacancy production in phase-field models of fission gas bubble growth are compared with each other and with analytical models of bubble growth. The vacancy source only model is found to be more convenient to parameterize realistically compared with the vacancy source+sink model. Furthermore, the phase-field-fracture simulation have been performed using MD- informed failure stress values and realistic HBS structure obtained from the phase-field simulations. We also present the uncertainty bands on prediction of the critical stress to account for the effect of the lower length scale variabilities on the failure criteria at the mesoscale. It is observed that pulverization may occur in partially restructured regions with restructuring fraction as low as 17%. In light of this, an update to the BISON’s pulverization criteria is recommended.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗