Search NASA⌕ Search

SEARCH · Search NASA

Results for “fracture simulation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Optimization of the Reax force field for the lithium–oxygen system using a high fidelity charge model

Studies using molecular dynamics (MD) have long struggled to simulate the failure modes of materials, predicting unrealistically high ductility and failing to capture brittle fracture. The primary cause of this shortcoming is an inadequate description of bond breaking. While reactive force fields such as ReaxFF show improvements compared to traditional force fields, the charge models used yield unphysical partial charges, especially during dissociation of ionic bonds. This flaw may be remedied by using the atom-condensed Kohn–Sham density functional theory (DFT) approximated to a second order (ACKS2) charge model for determining partial charges. In this work, we present a new ACKS2-enabled Reax force field for fracture simulations of lithium oxide systems, which was obtained by training against an extensive set of DFT, multireference configuration interaction (MRCI), and MRCI+Q reference data using genetic optimization techniques. This new force field significantly improves the bond breaking behavior, but still cannot fully capture the brittle fracture in MD simulations, suggesting more research is needed to improve simulation of brittle fracture.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A novel Lagrangian approach for the stable numerical simulation of fault and fracture mechanics

The simulation of the mechanics of geological faults and fractures is of paramount importance in several applications, such as ensuring the safety of the underground storage of wastes and hydrocarbons or predicting the possible seismicity triggered by the production and injection of subsurface fluids. However, the stable numerical modeling of ground ruptures is still an open issue. The present work introduces a novel formulation based on the use of the Lagrange multipliers to prescribe the constraints on the contact surfaces. The variational formulation is modified in order to take into account the frictional work along the activated fault portion according to the principle of maximum plastic dissipation. The numerical model, developed in the framework of the Finite Element method, provides stable solutions with a fast convergence of the non-linear problem. The stabilizing properties of the proposed model are emphasized with the aid of a realistic numerical example dealing with the generation of ground fractures due to groundwater withdrawal in arid regions. - Highlights: • A numerical model is developed for the simulation of fault and fracture mechanics. • The model is implemented in the framework of the Finite Element method and with the aid of Lagrange multipliers. • The proposed formulation introduces a new contribution due to the frictional work on the portion of activated fault. • The resulting algorithm is highly non-linear as the portion of activated fault is itself unknown. • The numerical solution is validated against analytical results and proves to be stable also in realistic applications.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Modeling of Propagation of Interacting Cracks Under Hydraulic Pressure Gradient

A robust and reliable numerical model for fracture initiation and propagation, which includes the interactions among propagating fractures and the coupling between deformation, fracturing and fluid flow in fracture apertures and in the permeable rock matrix, would be an important tool for developing a better understanding of fracturing behaviors of crystalline brittle rocks driven by thermal and (or) hydraulic pressure gradients. In this paper, we present a physics-based hydraulic fracturing simulator based on coupling a quasi-static discrete element model (DEM) for deformation and fracturing with conjugate lattice network flow model for fluid flow in both fractures and porous matrix. Fracturing is represented explicitly by removing broken bonds from the network to represent microcracks. Initiation of new microfractures and growth and coalescence of the microcracks leads to the formation of macroscopic fractures when external and/or internal loads are applied. The coupled DEM-network flow model reproduces realistic growth pattern of hydraulic fractures. In particular, simulation results of perforated horizontal wellbore clearly demonstrate that elastic interactions among multiple propagating fractures, fluid viscosity, strong coupling between fluid pressure fluctuations within fractures and fracturing, and lower length scale heterogeneities, collectively lead to complicated fracturing patterns.

hydraulic fracturing↗
DOE OSTI2026

Predicting fracture behavior in single crystal nickel using a coupled crystal plasticity phase field damage approach

Understanding the fracture behavior of single crystal metals is critical for predicting material performance under mechanical loading. Here, in this study, we investigate the fracture characteristics of single crystal nickel tensile bars using a crystal plasticity coupled phase field damage (CP-PFD) model. Experimental tensile tests were conducted on 15 specimens spanning five crystallographic orientations and three thickness variants per orientation. The results revealed two distinct fracture modes: brittle fractures with 45-degree angled surfaces and ductile fractures characterized by significant necking. The CP-PFD model successfully replicated these fracture behaviors, demonstrating strong agreement with experimental observations. The model effectively predicted the strain at which necking and fracture occurred, as well as the orientation-dependent fracture mechanisms. By comparing experimental and simulated fracture surfaces, we establish the CP-PFD model as a robust tool for predicting single crystal behavior and damage evolution. This work provides insight into the microstructural dependence of fracture behavior and establishes a predictive framework for modeling orientation-dependent damage evolution in single-crystal nickel.

Crystal plasticity↗
NASA NTRS1988

Fracture toughness computational simulation of general delaminations in fiber composites

A procedure is described to computationally simulate composite laminate fracture toughness in terms of strain energy release rate (SERR). It is also used to evaluate the degradation in laminate structural integrity in terms of displacements, loss in stiffness, loss in vibration frequencies and loss in buckling resistance. Specific laminates are selected for detail studies in order to demonstrate the generality of the procedure. These laminates had center delaminations, off-center delaminations, and pocket delaminations (center and off-center) at the free-edge and center delaminations at the interior. The laminates had two different thicknesses and were made from three different materials. The results obtained are presented in graphical form to illustrate the effects of delamination on the laminate structural integrity and on the laminate strain energy release rate (composite fracture toughness).

Murthy, P. L. N.↗
NASA NTRS1988

Fracture toughness computational simulation of general delaminations in fiber composites

A procedure is described to computationally simulate composite laminate fracture toughness in terms of strain energy release rate. It is also used to evaluate the degradation in laminate structural integrity in terms of displacements, loss in stiffness, loss in vibration frequencies and loss in buckling resistance. Specific laminates are selected for detail studies in order to demonstrate the generality of the procedure. These laminates had center delaminations, off-center delaminations, and pocket delaminations (center and off-center) at the free-edge and center delaminations at the interior. The laminates had two different thicknesses and were made from three different materials. The results obtained are presented in graphical form to illustrate the effects of delamination on the laminate structural integrity and on the laminate strain energy release rate (composite fracture toughness).

Wilt, T. E.↗
NASA NTRS2009

A Method for Combining Experimentation and Molecular Dynamics Simulation to Improve Cohesive Zone Models for Metallic Microstructures

Fracture processes within a material begin at the nanometer length scale at which the formation, propagation, and interaction of fundamental damage mechanisms occur. Physics-based modeling of these atomic processes quickly becomes computationally intractable as the system size increases. Thus, a multiscale modeling method, based on the aggregation of fundamental damage processes occurring at the nanoscale within a cohesive zone model, is under development and will enable computationally feasible and physically meaningful microscale fracture simulation in polycrystalline metals. This method employs atomistic simulation to provide an optimization loop with an initial prediction of a cohesive zone model (CZM). This initial CZM is then applied at the crack front region within a finite element model. The optimization procedure iterates upon the CZM until the finite element model acceptably reproduces the near-crack-front displacement fields obtained from experimental observation. With this approach, a comparison can be made between the original CZM predicted by atomistic simulation and the converged CZM that is based on experimental observation. Comparison of the two CZMs gives insight into how atomistic simulation scales.

Hochhalter, J. D.↗
DOE OSTI2016

Intermediate-Scale Hydraulic Fracturing in a Deep Mine - kISMET Project Summary 2016

In support of the U.S. DOE SubTER Crosscut initiative, we established a field test facility in a deep mine and designed and carried out in situ hydraulic fracturing experiments in the crystalline rock at the site to characterize the stress field, understand the effects of rock fabric on fracturing, and gain experience in monitoring using geophysical methods. The project also included pre- and post-fracturing simulation and analysis, laboratory measurements and experiments, and we conducted an extended analysis of the local stress state using previously collected data. Some of these activities are still ongoing. The kISMET (permeability (k) and Induced Seismicity Management for Energy Technologies) experiments meet objectives in SubTER’s “stress” pillar and the “new subsurface signals” pillar. The kISMET site was established in the West Access Drift of SURF 4850 ft (1478 m) below ground (on the 4850L) in phyllite of the Precambrian Poorman Formation. We drilled and cored five near-vertical boreholes in a line on 3 m spacing, deviating the two outermost boreholes slightly to create a five-spot pattern around the test borehole centered in the test volume at ~1528 m (5013 ft). Laboratory measurements of core from the center test borehole showed P-wave velocity heterogeneity along each core indicating strong, fine-scale (~1 cm or smaller) changes in the mechanical properties of the rock. The load-displacement record on the core suggests that the elastic stiffness is anisotropic. Tensile strength ranges between 3-7.5 MPa and 5-12 MPa. Permeability measurements are planned, as are two types of laboratory miniature hydraulic fracturing experiments to investigate the importance of rock fabric (anisotropy and heterogeneity) on near-borehole hydraulic fracture generation. Pre-fracturing numerical simulations with INL’s FALCON discrete element code predicted a fracture radius of 1.2 m for a corresponding injection volume of 1.2 L for the planned fractures, and negligible microseismicity. Field measurements of the stress field by hydraulic fracturing showed that the minimum horizontal stress at the kISMET site averages 21.7 MPa (3146 psi) pointing approximately N-S (356 degrees azimuth) and plunging slightly NNW at 12°. The vertical and horizontal maximum stress are similar in magnitude at 42-44 MPa (6090-6380 psi) for the depths of testing which averaged approximately 1530 m (5030 ft). Hydraulic fractures were remarkably uniform suggesting core-scale and larger rock fabric did not play a role in controlling fracture orientation. Monitoring using ERT and CASSM in the four monitoring boreholes, and passive seismic accelerometer-based measurements in the West Access Drift, was carried out during the generation of a larger fracture (so-called stimulation test) at a depth of 40 m below the invert. ERT was not able to detect the fracture created, nor were the accelerometers in the drift, but microseismicity was detected for first (deepest) hydraulic-fracturing stress measurement. The CASSM data have not yet been analyzed. Analytical solutions suggest fracture radius of the large fracture (stimulation test) was more than 6 m, depending on the unknown amount of leak-off. The kISMET results for stress state are consistent with large-scale mid-continent estimates of stress. Currently we are using the orientation of the stress field we determined to interpret a large number of borehole breakouts recorded in nearby boreholes at SURF to generate a more complete picture of the stress field and its variations at SURF. The efforts on the project have prompted a host of additional follow-on studies that we recommend be carried out at the kISMET site.

02 PETROLEUM↗
DOE OSTI2023

Implementation of extrinsic cohesive zone model (ECZM) in 2D finite-discrete element method (FDEM) using node binding scheme

The combined finite-discrete element method (FDEM) has been widely used for rock fracturing simulations. Conventionally, FDEM is realized using the intrinsic cohesive zone model (ICZM); however, it has the drawback of artificial compliance and high computational expense. As a complement, the extrinsic cohesive zone model (ECZM) is seen to be realized in FDEM recently, whereas the node splitting scheme utilized is cumbersome. Here, within the framework of ICZM-based FDEM, we propose a node binding scheme to efficiently bind the pre-discretized finite elements and thus guarantee the continuum behavior of materials in the elastic stage. The yield surfaces, controlled by ECZM, are dynamically embedded by invoking the pre-inserted cohesive elements. The effectiveness and efficiency of the proposed approach are validated and tested by performing a suite of numerical experiments. Compared with ICZM-based FDEM, the proposed approach can correctly capture material deformation and reduce the computation cost. In contrast to the existing ECZM-based FDEM, the proposed approach can overcome the frequent and complex element topology updating. Finally, this work provides a novel perspective that fully inherits the advantages of both ICZM and ECZM, but circumvents their shortcomings, which guarantees a more efficient and effective simulation of brittle material evolution from continuum to discontinuum.

58 GEOSCIENCES↗
DOE OSTI2023

Comparative verification of hydro-mechanical fracture behavior: Task G of international research project DECOVALEX–2023

Numerical simulations become a necessity when experimental approaches cannot cover the required physical and time scale of interest. One of such area is a simulation of long-term host rock behaviors for nuclear waste disposal and simulation tools involved in the assessment must go through rigorous validation tests. The DECOVALEX project (Development of COupled models and their VAlidation against EXperiments) is dedicated to this purpose by international participants. This work is part of the ongoing phase DECOVALEX–2023 (D–2023, Task G) particularly aiming to simulate fracture behaviors under various conditions. Here, in this study, we cross-verified a variety of numerical methods including continuous and discontinuous approaches against four benchmark exercises with emphasis on numerical accuracy and parameterization of the various numerical approaches. The systematic inter-comparisons of test cases highlight advantages and disadvantages of the different numerical models. Numerical details on discretization effects (e.g. mesh density and orientation) and domain size were investigated in detail for practical applications. It became evident that meticulous attention to mesh resolution and domain size is imperative for achieving accurate numerical simulations, even for static cracks. Moreover, when comparing numerical methods to closed-form solutions for static cracks, all models successfully reproduced the maximum crack opening but encountered challenges near the crack tips. Finally, the paper discusses how to convert between and therefore compare parameters of various numerical approaches. Our benchmark studies reveal that each model necessitates a distinct number of parameters, even in simple scenarios like static crack aperture benchmarks. It is generally more practical to employ fewer parameters to mitigate model over-parameterization and enhance experimental feasibility.

58 GEOSCIENCES↗
DOE OSTI2017

TOUGH–RBSN simulator for hydraulic fracture propagation within fractured media: Model validations against laboratory experiments

This study presents coupled hydro-mechanical modeling of hydraulic fracturing processes in complex fractured media using a discrete fracture network (DFN) approach. The individual physical processes in the fracture propagation are represented by separate program modules: the TOUGH2 code for multiphase flow and mass transport based on the finite volume approach; and the rigid-body-spring network (RBSN) model for mechanical and fracture-damage behavior, which are coupled with each other. Fractures are modeled as discrete features, of which the hydrological properties are evaluated from the fracture deformation and aperture change. The verification of the TOUGH–RBSN code is performed against a 2D analytical model for single hydraulic fracture propagation. Subsequently, modeling capabilities for hydraulic fracturing are demonstrated through simulations of laboratory experiments conducted on rock-analogue (soda-lime glass) samples containing a designed network of pre-existing fractures. Sensitivity analyses are also conducted by changing the modeling parameters, such as viscosity of injected fluid, strength of pre-existing fractures, and confining stress conditions. The hydraulic fracturing characteristics attributed to the modeling parameters are investigated through comparisons of the simulation results.

58 GEOSCIENCES↗
DOE OSTI2022

Geomechanical and Hydrogeological Evaluation of a Shallow Hydraulic Fracture at the Devine Fracture Pilot Site, Medina County, Texas

UT-Austin’s Devine Fracture Pilot Site, 50 miles southwest of San Antonio, Texas, has been targeted for a comprehensive, multidisciplinary development of fracture diagnostic techniques that are cross-validated by ground-truth data acquisition near a recently created, 175-ft-deep, horizontal hydraulic fracture (Ahmadian et al. 2018 Demonstration of proof of concept of electromagnetic geophysical methods for high resolution illumination of induced fracture networks. In Proceedings of the SPE Hydraulic Fracturing Technology Conference and Exhibition, The Woodlands, Texas, USA, 23–25 January 2018. SPE-189858-MS.). To evaluate the fracture diagnostic methods at this site, we conducted injection tests with a predefined volumetric flow-rate profile, resembling a diagnostic fracture injection test on September 2020. Subsequently, we developed hydrogeological and geomechanical models based on flow-rate and bottomhole-pressure measurements. History-matching efforts using a simplified layer-cake hydrogeological model resulted in the field-scale formation permeability of 9.87 × 10 –15 m 2 (10 mD) and Darcy-scale fracture permeability. The analysis of the bottomhole pressure and injection-rate history showed that (1) the newly created horizontal fracture was closed adjacent to the injection well pre-injection and (2) the initial pump-pressure increase at a nominal volumetric injection rate led to near-well fracture reopening, fluid conductivity increase, and abrupt injection-rate increase. To overcome hydrogeological-model limitations of predicting fracture reopening throughout injection, we extended the modeling to a finite-element, poroelastic analysis of horizontal-fracture growth using a cohesive-zone model. Using this fracture-reopening model, we improved the history match of the transient-pressure response during the experiment by adjusting the hydromechanical properties. Furthermore, post-injection pressure transient analyses helped reduce uncertainty in the overburden-stress gradient, and the initial hydraulic-fracturing simulation verified the plausibility of achieving the surveyed propped fracture area.

02 PETROLEUM↗
DOE OSTI2015

A Process and Environment Aware Sierra/SolidMechanics Cohesive Zone Modeling Capability for Polymer/Solid Interfaces

The performance and reliability of many mechanical and electrical components depend on the integrity of polymer-to-solid interfaces. Such interfaces are found in adhesively bonded joints, encapsulated or underfilled electronic modules, protective coatings, and laminates. The work described herein was aimed at improving Sandia’s finite element–based capability to predict interfacial crack growth by 1) using a high fidelity nonlinear viscoelastic material model for the adhesive in fracture simulations, and 2) developing and implementing a novel cohesive zone fracture model that generates a mode-mixity dependent toughness as a natural consequence of its formulation (i.e., generates the observed increase in interfacial toughness with increasing crack-tip interfacial shear). Furthermore, molecular dynamics simulations were used to study fundamental material/interfacial physics so as to develop a fuller understanding of the connection between molecular structure and failure. Also reported are test results that quantify how joint strength and interfacial toughness vary with temperature.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Probabilistic Simulation for Nanocomposite Fracture

A unique probabilistic theory is described to predict the uniaxial strengths and fracture properties of nanocomposites. The simulation is based on composite micromechanics with progressive substructuring down to a nanoscale slice of a nanofiber where all the governing equations are formulated. These equations have been programmed in a computer code. That computer code is used to simulate uniaxial strengths and fracture of a nanofiber laminate. The results are presented graphically and discussed with respect to their practical significance. These results show smooth distributions from low probability to high.

Chamis, Christos C.↗
DOE OSTI2015

Modeling the Interaction Between Hydraulic and Natural Fractures Using Dual-Lattice Discrete Element Method

The interaction between hydraulic fractures (HF) and natural fractures (NF) will lead to complex fracture networks due to the branching and merging of natural and hydraulic fractures in unconventional reservoirs. In this paper, a newly developed hydraulic fracturing simulator based on discrete element method is used to predict the generation of complex fracture network in the presence of pre-existing natural fractures. By coupling geomechanics and reservoir flow within a dual lattice system, this simulator can effectively capture the poro-elastic effects and fluid leakoff into the formation. When HFs are intercepting single or multiple NFs, complex mechanisms such as direct crossing, arresting, dilating and branching can be simulated. Based on the model, the effects of injected fluid rate and viscosity, the orientation and permeability of NFs and stress anisotropy on the HF-NF interaction process are investigated. Combined impacts from multiple parameters are also examined in the paper. The numerical results show that large values of stress anisotropy, intercepting angle, injection rate and viscosity will impede the opening of NFs.

02 PETROLEUM↗
NASA NTRS2008

Multiscale Modeling of Damage Processes in Aluminum Alloys: Grain-Scale Mechanisms

This paper has two goals related to the development of a physically-grounded methodology for modeling the initial stages of fatigue crack growth in an aluminum alloy. The aluminum alloy, AA 7075-T651, is susceptible to fatigue cracking that nucleates from cracked second phase iron-bearing particles. Thus, the first goal of the paper is to validate an existing framework for the prediction of the conditions under which the particles crack. The observed statistics of particle cracking (defined as incubation for this alloy) must be accurately predicted to simulate the stochastic nature of microstructurally small fatigue crack (MSFC) formation. Also, only by simulating incubation of damage in a statistically accurate manner can subsequent stages of crack growth be accurately predicted. To maintain fidelity and computational efficiency, a filtering procedure was developed to eliminate particles that were unlikely to crack. The particle filter considers the distributions of particle sizes and shapes, grain texture, and the configuration of the surrounding grains. This filter helps substantially reduce the number of particles that need to be included in the microstructural models and forms the basis of the future work on the subsequent stages of MSFC, crack nucleation and microstructurally small crack propagation. A physics-based approach to simulating fracture should ultimately begin at nanometer length scale, in which atomistic simulation is used to predict the fundamental damage mechanisms of MSFC. These mechanisms include dislocation formation and interaction, interstitial void formation, and atomic diffusion. However, atomistic simulations quickly become computationally intractable as the system size increases, especially when directly linking to the already large microstructural models. Therefore, the second goal of this paper is to propose a method that will incorporate atomistic simulation and small-scale experimental characterization into the existing multiscale framework. At the microscale, the nanoscale mechanics are represented within cohesive zones where appropriate, i.e. where the mechanics observed at the nanoscale can be represented as occurring on a plane such as at grain boundaries or slip planes at a crack front. Important advancements that are yet to be made include: 1. an increased fidelity in cohesive zone modeling; 2. a means to understand how atomistic simulation scales with time; 3. a new experimental methodology for generating empirical models for CZMs and emerging materials; and 4. a validation of simulations of the damage processes at the nano-micro scale. With ever-increasing computer power, the long-term ability to employ atomistic simulation for the prognosis of structural components will not be limited by computation power, but by our lack of knowledge in incorporating atomistic models into simulations of MSFC into a multiscale framework.

Hochhalter, J. D.↗
DOE OSTI2015

Particle tracking approach for transport in three-dimensional discrete fracture networks: Particle tracking in 3-D DFNs

The discrete fracture network (DFN) model is a method to mimic discrete pathways for fluid flow through a fractured low-permeable rock mass, and may be combined with particle tracking simulations to address solute transport. However, experience has shown that it is challenging to obtain accurate transport results in three-dimensional DFNs because of the high computational burden and difficulty in constructing a high-quality unstructured computational mesh on simulated fractures. We present a new particle tracking capability, which is adapted to control volume (Voronoi polygons) flow solutions on unstructured grids (Delaunay triangulations) on three-dimensional DFNs. The locally mass-conserving finite-volume approach eliminates mass balance-related problems during particle tracking. The scalar fluxes calculated for each control volume face by the flow solver are used to reconstruct a Darcy velocity at each control volume centroid. The groundwater velocities can then be continuously interpolated to any point in the domain of interest. The control volumes at fracture intersections are split into four pieces, and the velocity is reconstructed independently on each piece, which results in multiple groundwater velocities at the intersection, one for each fracture on each side of the intersection line. This technique enables detailed particle transport representation through a complex DFN structure. Verified for small DFNs, the new simulation capability enables numerical experiments on advective transport in large DFNs to be performed. As a result, we demonstrate this particle transport approach on a DFN model using parameters similar to those of crystalline rock at a proposed geologic repository for spent nuclear fuel in Forsmark, Sweden.

58 GEOSCIENCES↗