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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Utah FORGE 2-2446: Closing the Loop Between In-situ Stress Complexity and EGS Fracture Complexity - Workshop Presentation

This is a presentation on the Closing the Loop Between In-situ Stress Complexity and EGS Fracture Complexity project by Lawrence Livermore National Laboratory, presented by Dr. Matteo Cusini. The project's objective was to employ a combination of high-fidelity simulations and true-triaxial block fracturing tests at high temperature to explore the intricate relationship between in-situ stress and hydraulic fracture patterns and better characterize the in-situ stress at Utah FORGE. This presentation was featured in the Utah FORGE R&D Annual Workshop on September 7, 2023. The workshop provided a valuable opportunity to explore the progress made in each of the 17 Research and Development projects funded under Solicitation 2020-1 which aim to enhance our understanding of the crucial factors influencing the development of Enhanced Geothermal Systems (EGS) reservoirs and resources.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Mechanical Design Guidelines to Inhibit Fracture in Perovskite Solar Cells

Perovskite (PVSK) solar cells offer significant benefits over conventional silicon cells including low-cost solution processibility, minimal materials usage related to strong photon absorption in thin-film cell architectures, and a tunable bandgap. However, PVSK films are mechanically fragile, and fracture of PVSK layers and adjacent interfaces are a significant concern during fabrication, encapsulation, and operation. Herein, a thin-film mechanics fracture analysis tailored for p–i–n and n–i–p PVSK solar cells on both soda lime glass and polyimide substrates fabricated with three PVSK crystallization methods is presented. Here, the role of thermal processing of each cell layer is explored to determine the maximum allowable temperature below which fracture is inhibited. In the analysis, the mechanics basis for processing and materials selection guidelines for preventing fracture in PVSK solar cells is provided.

adhesion↗
DOE OSTI2023

THE ROLE OF FRACTURE PROPERTIES ON LAP JOINT STRENGTH OF FRICTION STIR WELDED AA7055-T6 SHEETS

Friction stir lap welded (FSLW) joints have weight-saving potential in aluminum-intensive automotive assembly. However, FSLW also modifies the material microstructure close to the joint. Optimizing the FSLW process requires understanding the relationship between the strength and the joint's microstructure. In previous studies, efforts have been dedicated to determining the effects of local softening, the shape of the oxide line, and porosity. However, the impact of changes to the fracture properties on the joint's strength has not been studied. In this work, strength testing, and simulations, aided by material characterization, were used to determine the role of fracture properties on the shear strength of a 3-sheet (aluminum alloys 7055-7055-6022) lap joint. Characterization involved testing for fracture properties in the weld region. This data was then implemented into finite element simulations. As a result, the joint strength was predicted with a deviation of less than 6% from the experimental value. Comparison with strength prediction using only the base metal properties indicates that fracture property in the nugget region determines the strength of AA7055 FSLW.

Finite element analysis, Friction stir welding, ma↗
DOE OSTI2023

Towards a unified nonlocal, peridynamics framework for the coarse-graining of molecular dynamics data with fractures

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely beyond reach. In this work, we propose a learning framework to extract a peridynamics model as a mesoscale continuum surrogate from MD simulated material fracture data sets. Firstly, we develop a novel coarse-graining method, to automatically handle the material fracture and its corresponding discontinuities in the MD displacement data sets. Inspired by the weighted essentially non-oscillatory (WENO) scheme, the key idea lies at an adaptive procedure to automatically choose the locally smoothest stencil, then reconstruct the coarse-grained material displacement field as the piecewise smooth solutions containing discontinuities. Then, based on the coarse-grained MD data, a two-phase optimization-based learning approach is proposed to infer the optimal peridynamics model with damage criterion. In the first phase, we identify the optimal nonlocal kernel function from the data sets without material damage to capture the material stiffness properties. Then, in the second phase, the material damage criterion is learnt as a smoothed step function from the data with fractures. As a result, a peridynamics surrogate is obtained. As a continuum model, our peridynamics surrogate model can be employed in further prediction tasks with different grid resolutions from training, and hence allows for substantial reductions in computational cost compared with MD. We illustrate the efficacy of the proposed approach with several numerical tests for the dynamic crack propagation problem in a single-layer graphene. Our tests show that the proposed data-driven model is robust and generalizable, in the sense that it is capable of modeling the initialization and growth of fractures under discretization and loading settings that are different from the ones used during training.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A model for discrete fracture-clay rock interaction incorporating electrostatic effects on transport

Abstract A model based on the code CrunchClay is presented for a fracture-clay matrix system that takes electrostatic effects on transport into account. The electrostatic effects on transport include those associated with the development of a diffusion potential as captured by the Nernst-Planck equation, and the formation of a diffuse layer bordering negatively charged clay particles within which partial anion exclusion occurs. The model is based on a dual continuum formulation that accounts for diffuse layer and bulk water pore space, providing a more flexible framework than is found in the classical mean electrostatic potential models. The diffuse layer model is obtained by volume averaging ion concentrations in the Poisson-Boltzmann equation, but also includes the treatment of longitudinal transport within this continuum. The calculation of transport within the bulk and diffuse layer porosity is based on a new formulation for the Nernst-Planck equation that considers averaging of diffusion coefficients and accumulation factors at grid cell interfaces. Equations for function residuals and the associated Jacobian matrix are presented such that the system of nonlinear differential-algebraic equations can be solved with Newton’s method. As an example, we consider a 2D system with a single discrete fracture within which flow and advective transport occurs that is coupled to diffusion in the clay-rich matrix. The simulation results demonstrate the lack of retardation for anions (e.g., 36 Cl − ) of the contaminant plume within the fracture flow system because they are largely excluded from the charged clay rock, while the migration of cations (e.g., 90 Sr ++ ) is more strongly attenuated. The diffusive loss of divalent cations in particular from the fracture is accentuated by their accumulation in the diffuse layer within the clay-rich matrix.

58 GEOSCIENCES↗
DOE OSTI2022

A smeared crack modeling framework accommodating multi-directional fracture at finite strains

A generic smeared crack modeling framework predicated on the deformation gradient decomposition (DGD) approach is proposed for use in dynamic fracture problems at finite strains, accommodating failure along multiple mutually orthogonal fracture planes embedded within an independently defined bulk material model. Within this constitutive framework, the traction equilibrium conditions imposed at each failure surface are used to determine the associated crack displacements stored as internal state variables. In general, the enforcement of interfacial equilibrium entails the implicit solution of a non-linear system of equations within the constitutive update procedure. However, if inertial effects arising due to the relative motion of the fractured material are incorporated within the model, the traction equilibrium conditions are shown to give rise to corresponding dynamic equations of motion governing the time-evolution of the crack opening displacements. For dynamic problems, an explicit time-integration procedure is devised to efficiently update the material state, subject to a set of internal frictionless contact constraints to prevent material inversion. Finally, the efficacy of the proposed modeling framework is investigated through several benchmark dynamic fracture problems run within the explicit finite element code DYNA3D.

42 ENGINEERING↗
DOE OSTI2021

Multilevel Graph Partitioning for Three-Dimensional Discrete Fracture Network Flow Simulations

We present a topology-based method for mesh-partitioning in three-dimensional discrete fracture network (DFN) simulations that takes advantage of the intrinsic multi-level nature of a DFN. DFN models are used to simulate flow and transport through low-permeability fractured media in the subsurface by explicitly representing fractures as discrete entities. The governing equations for flow and transport are numerically integrated on computational meshes generated on the interconnected fracture networks. Modern high-fidelity DFN simulations require high-performance computing on multiple processors where performance and scalability depends partially on obtaining a high-quality partition of the mesh to balance work-loads and minimize communication across all processors. The discrete structure of a DFN naturally lends itself to various graph representations, which can be thought of as coarse-scale representations of the computational mesh. Using this concept, we develop two applications of the multilevel graph partitioning algorithm to partition the mesh of a DFN. In the first, we project a partition of the graph based on the DFN topology onto the mesh of the DFN and in the second, this DFN-based projection is used as the initial condition for further partitioning refinement of the mesh. We compare the performance of these methods with standard multi-level graph partitioning using graph-based metrics (cut, imbalance, partitioning time), computational-based metrics (FLOPS, iterations, solver time), and total run time. The DFN-based and the mesh-based partitioning methods are comparable in terms of the graph-based metrics, but the time required to obtain the partition is several orders of magnitude faster using the DFN-based partitions. The computation-based metrics show comparable performance between both methods so, in combination, the DFN-based partitions are several orders of magnitude faster than the mesh-based partition. Furthermore, the method which uses the DFN-partition solution as the initial condition of the mesh partition provided cut and imbalance values that were close to the mesh-based partition but in a fraction of the time. In turn, this hybrid method outperformed both of the other methods in terms of the total run time.

58 GEOSCIENCES↗
DOE OSTI2020

Simulation of mixed-mode fracture using the combined finite–discrete element method

It has been shown experimentally that under mixed tensile and compressive stress states, a corresponding mixed-mode fracture will occur. Here, the formation of mixed-mode fractures is investigated using the combined finite–discrete element method. A series of simulations with confining pressures ranging from 7.5 to 150 MPa generate a spectrum of mixed-mode failure conditions. These stress states at failure span the transition from the tensile to compressive failure. The models reproduce previous experiments on Carrara marble using a dog-bone geometry, and a comparison shows good qualitative agreement with the experimental observations. This paper demonstrates that mixed-mode fracture can be captured via numerical simulations and identifies areas where further research is required to better understand mixed-mode fracture processes.

42 ENGINEERING↗
DOE OSTI2023

Dynamic fracture processes in hydrogen embrittled iron

Mechanistic understanding of hydrogen embrittlement is critical to the transport and storage of hydrogen as a sustainable fuel. Experimental observation of dynamic fracture processes in hydrogen environments has been challenging. Here, in-situ transmission X-ray microscopy is used to image polycrystalline iron foils that are concurrently strained and electrochemically charged with hydrogen. Using this technique, voids and microcracks down to ∼30 nm in size are identified at or near the crack tip and tracked as strain is increased. We observe both hydrogen-induced transgranular failure and hydrogen-induced intergranular failure with distinct fracture processes. We find that transgranular fracture occurs through the formation of sharp branched structures at the main crack tip that are reminiscent of slip band formation. This is followed by void growth and coalescence, and interaction with secondary cracks that lead to propagation of the main crack. Intergranular fracture is found to occur through void coalescence along grain boundaries, along with significant secondary cracking near the crack tip. The crack growth rate is greater for void-mediated intergranular failure than for slip-mediated transgranular failure. Additionally, the removal of hydrogen results in recovered ductility for a crack initially propagated under hydrogen charging.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Transport Upscaling under Flow Heterogeneity and Matrix-Diffusion in Three-Dimensional Discrete Fracture Networks

For this work, we investigate the combined effects of network scale flow variability and retention due to matrix-diffusion on the scaling behavior of transport through fractured media. Two of the principal mechanisms controlling the transport of solutes through fractured low-permeability media are broad distributions of flow velocities and retention times in the solid matrix. We study the relative impact of these two processes under different initial conditions using a set of three-dimensional discrete fracture network simulations. We use these simulations to develop and calibrate an upscaled continuous time random walk (CTRW) approach for advective transport based on an Ornstein-Uhlenbeck model for the particle velocities that accounts for the fracture-matrix coupling using a compound Poisson process. This CTRW model can be conditioned on the initial solute distribution and allows to observe late-time scaling behavior at distances beyond what is feasible to observe using high-fidelity direct numerical simulations. We determine that the initial distribution of particles leads to marked differences in the persistent long-term scale behavior in the solute travel time distributions, even those undergoing retention due to matrix diffusion through implementation and analysis of the model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Fracture properties and microstructure formation of hardened alkali-activated slag/fly ash pastes

This study presents a comprehensive experimental investigation on the fracture properties of hardened alkali-activated slag/fly ash (AASF) pastes in relation to the microstructure formation and reaction product composition. The main reaction product in AASF is C-(N-)A-S-H gel along with minor hydrotalcite phase, with the polymerization of C-(N-)A-S-H gel substantially governed by its Ca/Si ratio. Strong positive correlations are identified between the Ca/Si ratios of C-(N-)A-S-H gel and the fracture properties K{sub Ic} (J{sub tip}), whereas, the compressive strength of AASF pastes is primarily determined by its capillary porosity (>0.01 μm). The disagreements between the Ca/Si ratios and corresponding intrinsic mechanical properties of C-(N-)A-S-H gel as proof by contradiction indicate that the fracture properties K{sub Ic} (J{sub tip}) of AASF pastes could be dominated by a cohesion/adhesion-based mechanism. These findings provide promising guidance for fine-tuning the fracture properties of AASF and also advise on the tailoring strategies for high-performance composite such as strain-hardening geopolymer composite.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hydro-mechanical coupled modeling of hydraulic fracturing using the mesh fragmentation technique

The inclusion of special interface elements between standard finite elements is becoming a common technique to model discontinuities in porous media using the finite element method (FEM). Recently, it was proved that high aspect ratio (HAR) elements can reproduce very satisfactorily the main features of behavior observed in a single hydraulically-induced fracture. In this paper, the mesh fragmentation technique (MFT) is proposed to extend the application of HAR elements to simulate more general problems involving the formation of hydraulic fractures in rocks by introducing this type of element in-between the standard FE of a typical mesh. The proposed framework makes use of standard FE techniques. Therefore, it is relatively easy to upgrade an existing FE program for continuous porous media to deal with evolving discontinuities. The proposed approach is verified and validated against available analytical and numerical solutions. The crack patterns predicted by the MFT are also compared with the ones observed in the laboratory. The formation of multiple fractures is also analyzed. In all cases, the proposed technique was able to properly capture the main features of rock behavior subjected to hydraulic fracturing.

58 GEOSCIENCES↗
DOE OSTI2022

Modeling gas breakthrough and flow phenomena through engineered barrier systems using a discrete fracture approach

Compacted clays are being considered to build engineered barrier systems (EBS) intended for the safe isolation of high-level nuclear waste (HLW) and spent nuclear fuel (SNF). The corrosion of the metallic canister containing the HLW/SNF will lead to the generation and buildup of the gas pressure in the more internal part of the clay buffer. This phenomenon would eventually trigger the formation and propagation of fractures in the clay barrier, jeopardizing its safety functions. Here, in this work, we propose to use the fragmentation technique (MFT) to model evolving fractures in clays triggered by gas pressurization. The MFT has been successfully used to model the formation of fractures in concrete, drying cracks in soil, hydraulic and thermo-fractures in rocks. In this work, we extend the MFT to deal with multiphase fluid flow in deformable porous media, and we upgraded a fully coupled computer finite element code using the extended technique. The proposed approach is first verified against analytical solutions and is then applied to model gas breakthrough experiments in clays. A very satisfactory performance of the method is observed in all the analyses, showing the potential of the MFT to tackle multiphase flow problems in deformable porous media with evolving discontinuities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Benchmark study of a new simplified DFN model for shearing of intersecting fractures and faults

It is challenging to quantitatively predict shearing of intersecting fractures/faults because of dynamic frictional contacts accompanied by possible nonlinear rock deformation. To address such challenges, a new conceptual model—the simplified DFN model—was proposed and validated by Hu et al. 46 to use major paths (MPs) to represent complicated DFNs for calculation of shearing. In this work, we conducted a benchmark study for three examples that involve different levels of complexity of intersecting fractures, and correspondingly different numbers of MPs. The codes and software that were used in the benchmark cover a range of continuum, discontinuum and hybrid numerical methods: NMM (LBNL), FLAC3D (LBNL), GBDEM (KIGAM), FRACOD (DynaFrax), and CASRock (CAS). The general consistency between DFN and MP cases as predicted by all the codes/software demonstrates that major paths can be used to simplify the geometry of DFNs in a wide range of software. Disagreement in results made by some software and potential future improvements are discussed. We show that (1) shearing of one or multiple major fractures can be reduced if there are multiple smaller intersecting fractures in that area, which is a useful basis for understanding and controlling induced seismicity and merits further analysis, and (2) the agreement achieved in the benchmark examples provide confidence that the simplified DFN model is a promising conceptual model that can be used for different types of numerical approaches and software for simplifying the analysis of the shearing of intersecting fractures and faults.

58 GEOSCIENCES↗
DOE OSTI2025

Surrogate models for development of unconventional shale reservoirs by an integrated numerical approach of hydraulic fracturing, flow and geomechanics, and machine learning

We develop well-completion surrogate models by taking an integrated workflow of hydraulic fracturing, flow, geomechanics, and machine learning simulation. There are three steps in the proposed workflow. First, history-matching processes are conducted with the field data including pumping and production data for characterization. Second, full-physics simulation is performed with various parameters of the field development (e.g., cluster spacing, clusters per stage, pumping rates and times, amount of proppant, and well spacing) to generate multiple simulation results by changing the parameters of the completion design with well-known hydraulic fracturing, reservoir, geomechanics simulators to calculate fracture geometry, reservoir depressurization, induced stress changes. The workflow is demonstrated over a field in the Southern Midland Basin. Here, we take two completion scenarios: a single well case followed by a multi-well case. Finally, a Long Short-Term Memory (LSTM) machine learning algorithm is employed to create surrogate models that can replicate the full-physics simulation results. Furthermore, results show that the trained models applied in the single well and multi-well cases for a particular geological system can provide good accuracy close to those provided by full-physics simulations. Specifically, the site-specific surrogate models can predict fracture parameters (length, height, and surface area) and cumulative production accurately with computational efficiency, suggesting our proposed workflow can be used as a pragmatic tool for expediting the well completion optimization process.

Geomechanics↗
DOE OSTI2025

Numerical simulation of flow and mixing in fracture intersections

Fluid transport through fractured geological formations is strongly influenced by the redistribution of solutes at fracture intersections. In this study, we perform detailed numerical simulations of flow and scalar transport within the intersection of two smooth, planar fractures. The analysis focuses on the mixing ratio, the proportion of solute flux exiting along the outlet branch aligned with the primary inlet flow direction, relative to the total solute flux at the outlets. We systematically investigate how the mixing ratio varies with four key parameters: Peclet number, Reynolds number, flow rate ratio between outlet branches, and fracture intersection angle. Results show that the mixing ratio decreases with increasing Peclet number and outlet flow rate ratio, consistent with reduced diffusive spreading and enhanced streamline routing. While low Reynolds numbers have minimal impact, inertial effects at higher Reynolds numbers significantly increase the mixing ratio. Additionally, acute and obtuse intersection angles alter flow partitioning and modify the solute distribution at the outlets. These findings provide a quantitative basis for incorporating physically realistic mixing behavior—intermediate between complete mixing and streamline-following assumptions—into network-scale transport models. The results have direct relevance to subsurface energy systems, including geothermal energy production, carbon sequestration, and contaminant remediation.

58 GEOSCIENCES↗
DOE OSTI2022

Unsupervised learning from three-component accelerometer data to monitor the spatiotemporal evolution of meso-scale hydraulic fractures

Enhanced geothermal systems can provide a substantial share of the global energy demand. There exist several hurdles in the engineering implementations of such geothermal systems. One such hurdle is the accurate monitoring of the fracture networks created in subsurface through hydraulic stimulation of these systems. Micro seismicity associated with the stimulation is the primary means to locate the event hypocenters for estimating the stimulated rock volume. Existing methods for location the hypocenters are restricted to only the highest amplitude impulsive signals that are simultaneously detected on several sensors. Consequently, a large portion (usually ~99%) of the measurements are left unused. In this paper, an unsupervised manifold-approximation followed by clustering of 3-component accelerometer data is used to analyze the seismicity recorded on a monitoring well. With this method, a larger portion of the measured signal is used for the monitoring of the hydraulic fracture network. We analyze the EGS Collab experiment 1 microseismic data, recorded at the Sanford Underground Research Facility, South Dakota. Using the data from a single three-component accelerometer, the polarization features viz. Azimuth, incidence, rectilinearity, and planarity are used as inputs for the unsupervised manifold approximation followed by clustering. Our study shows that density-based clusters in the projected 3D space correspond to distinct types of hydraulically fractured zones around the injection point. Finally, we show that the temporal evolution of these clusters can be used to track fracture creation and propagation.

58 GEOSCIENCES↗
DOE OSTI2022

Fracture behavior of a melt-infiltration-processed SiC/Si composite at 900°C in argon, air, and steam

The fracture behavior of a melt-infiltration-processed SiC/Si composite, used to mimic the matrices of industrial fiber-reinforced ceramic composites, was examined in different atmospheres and temperatures. Specimens tested in four-point bending at 900 °C in oxygen-gettered argon, dry air, or steam-rich atmospheres exhibited higher average fracture strengths than specimens tested at 25°C. Higher mean fracture strength values were obtained for specimens tested in dry air or in a steam-rich atmosphere at 900°C than for specimens tested in high-purity, oxygen-gettered argon at this temperature. The increased fracture strengths obtained in air and in steam-rich atmospheres coincided with increased specimen oxidation and apparent oxide filling and blunting of flaws in these composites. Further, a transition in the location of catastrophic failure, from sites of preexisting damage created by Vickers indentations for tests in argon to other locations for tests in air or steam-rich atmospheres, was also consistent with such apparent oxide filling/blunting of indentation-induced flaws.

36 MATERIALS SCIENCE↗