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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Hydrogen Embrittlement of Pipeline Steels: Causes and Remediation

Fundamental studies of hydrogen embrittlement of materials using both experimental observations and numerical simulations of the hydrogen/deformation interactions have been conducted. Our approach integrates mechanical property testing at the macro-scale, microstructural analyses and TEM observations of the deformation processes at the micro- and nano-scale, first-principles calculations of interfacial cohesion at the atomic scale, and finite element simulation and modeling at the micro- and macro-level. Focused Ion Beam machining in conjunction with Transmission Electron Microscopy were used to identify the salient micro-mechanisms of failure in the presence of hydrogen. Our analysis of low strength ferritic steels led to the discovery that “quasi-cleavage” is a dislocation plasticity controlled failure mode in agreement with the hydrogen enhanced plasticity mechanism. The microstructure underneath the fracture surface of 304 and 316 stainless steels was found to be significantly more complex than would have been predicted by the traditional models of fatigue. The general refinement of the microstructure that occurred near the fracture surface in the presence of hydrogen was such that one may argue that hydrogen stabilizes microstructural configurations to an extent not achievable in its absence. Finite element studies of hydrogen and deformation field similitude for cracks in real-life pipelines and laboratory fracture specimens yielded that the Single Edge Notch Tension specimen can be used to reliably study hydrogen material compatibility for pipeline structures. In addition, simulation of onset of crack propagation in low strength ferritic systems by void growth indicated that hydrogen can reduce the fracture toughness of the material by as much as 30%. Both experimental observations and numerical studies of hydrogen transport on hydrogen accumulations ahead of a crack tip yielded that dislocation transport can markedly enhance hydrogen populations which in turn can trigger fracture initiation.

08 HYDROGEN↗
NASA NTRSDate not supplied

Computational Assessment of the Opening Mode Facesheet-to-Core Fracture Toughness of a Thin-Gage Facesheet Sandwich Structure

The single-cantilevered beam test (SCB) is currently being considered for standardization for measuring the opening mode fracture toughness of sandwich structures subjected to facesheet-to-core separation. At present, the Area method is considered the benchmark method for determining energy required to propagate the crack. This method is problematic since it requires periodic unloading and cannot be evaluated instantaneously. Therefore, a method is needed to accurately and instantaneously calculate opening mode fracture toughness. In previous work, SCB tests with thin-gauge facesheets were performed to compare the J-integral approach to data reduction methods including the Modified Beam Theory (MBT) and the Area method. Large deviations (over 10%) in the calculated fracture toughness were observed between the J-integral and MBT for large displacements. In this study, a simulated SCB experiment using a virtual crackclosure technique was performed to assess the previously observed discrepancies. The predicted load displacement response, the predicted angle at the load application point, and the predicted crack growth results are in good agreement (within 5%) with the corresponding experimental data. Using the predicted load and angles, the predicted J-integral is in good agreement (within 10%) with the experimentally obtained solution. Using the MBT approach, the previously observed deviations in the fracture toughness were determined to be associated with the empirical extrapolation procedure to estimate the crack-root rotation correction from nonlinear compliance curves. The nonlinear compliance is determined to be associated with large displacement effects observed within the predicted and experimental results.

Sandwich Composite↗
DOE OSTI2016

Lithium concentration dependent structure and mechanics of amorphous silicon

A better understanding of lithium-silicon alloying mechanisms and associated mechanical behavior is essential for the design of Si-based electrodes for Li-ion batteries. Unfortunately, the relationship between the dynamic mechanical response and microstructure evolution during lithiation and delithiation has not been well understood. We use molecular dynamic simulations to investigate lithiated amorphous silicon with a focus to the evolution of its microstructure, phase composition, and stress generation. The results show that the formation of Li{sub x}Si alloy phase is via different mechanisms, depending on Li concentration. In these alloy phases, the increase in Li concentration results in reduction of modulus of elasticity and fracture strength but increase in ductility in tension. For a Li{sub x}Si system with uniform Li distribution, volume change induced stress is well below the fracture strength in tension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Finite Element Modeling of Diffusion in Fractured Porous Media by Using Hierarchical Material Properties

Abstract Fractured porous media challenge modeling approaches due to high computational costs and excessive mesh refinement imposed by the extreme scale variability of fractures and the heterogeneity of the surrounding porous rock. To overcome such difficulties, we utilize the hierarchical finite element method ( Hi ‐FEM) that has been developed previously to simulate the electrical potential distribution in complex geologic environments. The method employs the hierarchical basis functions in classical finite element analysis to enable representation of material properties on each dimensional component of a given 3D unstructured finite element, thereby inherently allowing for interactions at the boundary between fracture and a host rock. In this study, we extend its application to transient fluid flow and heat conduction in the Laplace domain. Time‐domain flow solutions are obtained by numerical inverse Laplace transform. We evaluate the accuracy of the method using different flow models and demonstrate its robustness for large‐scale, rock mass models featuring complex fracture networks. Moreover, for the computation of nodal Darcian velocity fields in fractured porous media where the fractures are represented as 2D features, a new approach that employs the Yeh's Galerkin model for both volume and facet elements is proposed. Results show that Hi ‐FEM can produce accurate flow solutions for fractured porous media without any need of coupling or transfer mechanism while still being computationally economical and numerically robust, even for large‐scale simulations.

Beskardes, G. D.↗
DOE OSTI2016

An Interface Debonding Model for Integrity Assessment of Nuclear Fuel Rods

The integrity degradation of nuclear fuel rods due to material embrittlement resulting from hydride formation has been extensively investigated. Finite element based fracture mechanics models have been proposed to assess the reduction of load capacity of nuclear fuel rod structures with several distribution scenarios of hydrides. In these finite element models, individual hydrides are modeled by opened cracks distributed in bulk matrix. These models are indeed valid for cases where hydrides fractures occur at low load levels. It is important for finite element models to take into account the cases where hydride fractures occur at high load levels, at which bulk matrix material may undergo reasonable high stress or yield. This requires hydride/bulk matrix interface models that can accommodate both bonded and debonded (fractured or crack initiation) behaviors of hydride/matrix interfaces. However, direct modeling debonding behaviors between hydride and bulk matrix is a great challenge. This is because for ductile structural failure simulations ligaments of bulk matrix often undergo large plastic deformation. Complete solutions often unavailable for crack initiation or debonding in media with finite plastic strain using popular implicit finite element technologies. This paper proposes a new computational framework based on discontinuous Galerkin (DG) finite element formulations for easily handling hydride/matrix interface debonding. We present structural failure simulation results for a quarter plane strain rod model with zircaloy materials. It is concluded that the proposed DG interface debonding model is powerful in simulating structural failure due to hydride failure in bulk media with finite plastic deformation. (author)

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Novel Workflow for Coupled Simulation of Hydraulic Stimulation with Simultaneous Injection of Proppant

Enhanced Geothermal Systems (EGS) are located in impermeable host rock. Therefore, to achieve promising circulation, hydraulic stimulation is a key factor. Stimulation involves injecting a combination of fluids and proppant particles into existing fractures under high pressure. The effectiveness of stimulation depends on a variety of different factors, including the pressurization scheme and the optimal choice of carrying fluid and proppant particles to be used. For example, high-density particles can settle out of the injected slurry quickly, whereas lighter particles as well as a dense carrying fluid allow for a long transport into the reservoir. A numerical tool is therefore essential to take all these factors into account and to make robust predictions about the performance of the hydraulic stimulation. We present a novel computational application for coupled numerical simulation of hydraulic stimulation with concurrent injection of proppant in a fractured geothermal reservoir. This application is based on the open-source MOOSE framework that has been enriched with a set of equations to account for the circulation of proppant-laden slurries. It accounts for both the fluid and proppant components of the mixture, as well as particle-driven processes that include gravity settling, particle-particle interactions, and strong density and viscosity contrasts. A particular challenge is the mutual coupling with fracture mechanical processes in a propagating fracture using the FE code Defmod. Aperture and fluid pressure on one side and slurry density and viscosity changes on the other side interact and affect each other. Their basic understanding is therefore essential for the success of the stimulation. We compare our application to common numerical benchmark problems for both slurry flow and hydraulic stimulation.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Assessing mechanical response of CO 2 storage into a depleted carbonate reef using a site-scale geomechanical model calibrated with field tests and InSAR monitoring data

Geomechanical risks of injection have raised concerns regarding secure CO 2 storage. In this work, a combined monitoring and modeling approach is used to assess the stress changes and surface uplift associated with CO 2 injection into a depleted carbonate reef of the Michigan basin. A site-scale geomechanical model is built by assigning mechanical properties of formations using well-log and experimental data. Gravity load is applied to the model to estimate the vertical component of stress as well as different lateral boundary displacement scenarios to estimate horizontal stresses. We used a poroelastic pressure-dependent model (instead of a linear elastic mechanical earth model) to calibrate initial stresses using hydraulic fracture test data measured at depleted reservoir status. Multi-phase fluid flow-geomechanical simulations are performed to estimate the poroelastic response during (1) primary depletion (2) field-scale CO 2 injection phase (3) a hypothetical forecast scenario in which well bottom hole pressure (BHP) reach 45000 KPa. The predicted surface uplift is less than 1 mm at the end of the field-scale CO 2 injection phase which is in good agreement with Interferometric Synthetic Aperture Radar (InSAR) uplift measurement. Although the InSAR data shows an insignificant uplift, hydromechanical modeling of injection shows that CO 2 injection still causes reservoir deformation emphasizing the role of carbonate overburden and reservoir formation mechanical properties and limited size of reef on diminishing the surface deformation. Modeling indicates poroelastic response of caprock matters to estimate uplift. The lower permeability of the top two layers provides additional barrier to large uplift. Also, history of subsidence due to production should be accounted to predict uplift due to a follow up injection correctly. This report shows the significance of combining a calibrated geomechanical model with field measured stresses and monitoring data to be used as a tool to ensure the safety of CO 2 storage.

42 ENGINEERING↗
DOE OSTI2021

Boost of the Bio-memristor Performance for Artificial Electronic Synapses by Surface Reconstruction

Biomaterial-based memristors (bio-memristors) are often adopted to emulate biological synapse functions and applied to construct neural computing networks in brain-inspired chip systems. However, the randomness of conductive filament formation in bio-memristors inhibits their switching performance by causing the dispersion of the device-switching parameters. In this case, a facile porous silk fibroin (p-SF) memristor was obtained through a protein surface reconstruction strategy, in which the size of the hole can be adjusted by the density of hybrid nanoseeds. Here, the porous SF memristors exhibit greatly enhanced electrical characteristics, including uniform I-V cycles, centralized distribution of the switching voltages, and both high and low resistances, compared to devices without pores. The results of three-dimensional (3D) simulations based on classical density functional theory (cDFT) suggest that the reconstructed pores in the SF layers guide the formation and fracture of Ag filaments under an electric field and enhance the overall conductivity by separating Ag + ion and electron diffusion pathways. Ag + ions are predicted to preferentially diffuse through pores, whereas electrons diffuse through the SF network. Interestingly, the device conductance can be bidirectionally modulated gradually by positive and negative voltages, can faithfully simulate short-term and long-term plasticity, and can even realize the triplet-spike-timing-dependent plasticity (triplet-STDP) rule, which can be used for pattern recognition in biological systems. The simulation results reveal that a memristor network of this type has an accuracy of ~95.78% in memory learning and the capability of pattern learning. This work provides a facile technology route to improve the performance of bionic-material memristors.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Validation of formability of laminated sheet metal for deep drawing process using GTN damage model

In this study, we studied formability of PET/PVC laminated sheet metal which named VCM (Vinyl Coated Metal). VCM offers various patterns and good-looking metal steel used for appliances such as refrigerator and washing machine. But, this sheet has problems which are crack and peeling of film when the material is formed by deep drawing process. To predict the problems, we used finite element method and GTN (Gurson-Tvergaard-Needleman) damage model to represent damage of material. We divided the VCM into 3 layers (PET film, adhesive and steel added PVC) in finite element analysis model to express the crack and peeling phenomenon. The material properties of each layer are determined by reverse engineering based on tensile test result. Furthermore, we performed the simple rectangular deep drawing and simulated it. The simulation result shows good agreement with drawing experiment result in position, punch stroke of crack occurrence. Also, we studied the fracture mechanism of PET film on VCM by comparing the width direction strain of metal and PET film.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Structural durability of a composite pressure vessel

The effect of local ply fiber fracture on the load-carrying capability and structural behavior of a composite cylindrical shell under internal pressure is investigated, using the CODSTRAN computer code to simulate the composite structural degradation under loading. Results show that an initial outer-surface defect in the vessel begins to grow at a relatively low pressure but exhibits localized gradual damage growth prior to structural fracture and that an initial inner-surface defect shows an overall damage progression and fracture behavior closely similar to that of the outer surface defect. An initial defect located near the mid-thickness of the shell requires a higher pressure to cause damage initiation, but, once the damage initiation pressure is reached, a sudden structural fracture stage is entered by rapid damage propagation at a slightly higher pressure.

Minnetyan, Levon↗
DOE OSTI2015

Modeling and Simulation of Used Nuclear Fuel During Transportation with Consideration of Hydride Effects and Cyclic Fatigue

The objective of this work is to understand the integrity of Used Nuclear Fuel (UNF) during transportation. Previous analysis work has been performed to look at the integrity of UNF during transportation but these analyses have neglected to analyze the effect of hydrides and flaws (fracture mechanics models to capture radial cracking in the cladding). In this study, the clad regions of interest are near the pellet-pellet interfaces. These regions can experience more complex stress-states than the rest of the clad during cooling and have a greater possibility to develop radially reoriented hydrides during vacuum drying.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Anisotropic Elastic-Waveform Modeling for Fracture Characterization in EGS Reservoirs

Enhanced geothermal systems (EGS) contain newly created fractures in addition to possible existing fractures. Accurate characterization and monitoring of EGS reservoirs are crucial for optimal placement of new wells and effective extraction of geothermal heat. The fractured reservoirs behave as anisotropic media where seismic waves propagate with different velocities along different directions. In addition, the anisotropic properties of fluid-filled fracture zones could be different from those of dry fracture zones. We develop an optimized rotated staggered-grid elastic-wave finite-difference method for simulating seismic-wave propagation in heterogeneous, anisotropic media. Our new method uses a few extra grid points and optimized finite-difference coefficients based on the space-time dispersion relation, and reduce numerical dispersion of the conventional rotated staggered-grid finite-difference scheme. We validate our new method using synthetic vertical-seismic-profiling (VSP) data for an anisotropic geophysical model built with geologic features found at the Raft River EGS reservoir. This improved and optimized rotated staggered-grid finite-difference method provides an essential tool for analyzing VSP data, reverse-time migration, and elastic-waveform inversion in anisotropic, fractured reservoirs.

58 GEOSCIENCES↗
DOE OSTI2016

Transport and Clogging of Particulate Flow in Fracture Systems

The aim of the project is to understand the effects of confinement in narrow rough-walled fractures on the transport behavior of fluids and suspended particles in subsurface hydro- carbon reservoirs. A key motivation for the study is that such fracture systems provide the highest throughput in oil and gas extraction and have been the focus of recent industrial activity. The scientific challenge is to understand how the confined geometry alters transport phenomena, and in particular its influence on (diagnostic) tracer transport and the effects of flow channeling and clogging on fluid motion. An important complicating feature of geological fractures is the self-affine fractal nature of their surface roughness, leading to irregular but correlated fluid and particle motion. The key technique used is computer simulation, augmented by analytical calculations and collaboration with outside experimental colleagues when possible. The principal topics studied were fluid permeability, tracer dispersion, flow channeling and anisotropy, particle transport in narrow channels and particle trapping in tight fractures.

58 GEOSCIENCES↗
DOE OSTI2019

Material Property Determinations of P-Tunnel Core in Support of UNESE

A critical component of the Underground Nuclear Explosion Signatures Experiment (UNESE) program is a realistic understanding of the post-detonation processes and changes in the environment that produce observable physical and radio-chemical signatures. Rock and fracture properties are essential parameters for modeling underground nuclear explosions. In response to the need for accurate simulations of physical and radio-chemical signatures, an experimental program to determine porosity, hydrostatic and triaxial compression, and Brazilian disc tension properties of P-Tunnel core was developed and executed. This report presents the results from the experimental program. Dry porosity for P-Tunnel core ranged from 8.7%-55%. Based on hydrostatic testing, bulk modulus was shown to increase with increasing confining pressure and ranged from 1.3GPa-42.3GPa. Compressional failure envelopes, derived from wet samples, are presented for P-Tunnel lithologies. Brazilian disc tension tests were conducted on wet samples and, along with triaxial tests, are compared with dry tests from the first UNESE test bed, Barnwell. P-Tunnel core disc tension test strength varied nearly two orders of magnitude between lithologies (0.03MPa-2.77MPa). Material tested in both tension and compression is weaker wet than dry with the exception of Strongly Welded Tuff in compression which is nearly identical in compressive strength for confining pressures of OMPa and 1 OOMPa. In addition to the inherent material properties of the rocks, fractures within the samples were quantified and characterized, in order to identify differences that might be caused by the explosion-induced damage. Finally, material property determinations are linked to optical microscopy observations. The work presented here is part of a broader material characterization effort; reports are referenced within.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2002

Multiscale Modeling, Simulation and Visualization and Their Potential for Future Aerospace Systems

This document contains the proceedings of the Training Workshop on Multiscale Modeling, Simulation and Visualization and Their Potential for Future Aerospace Systems held at NASA Langley Research Center, Hampton, Virginia, March 5 - 6, 2002. The workshop was jointly sponsored by Old Dominion University's Center for Advanced Engineering Environments and NASA. Workshop attendees were from NASA, other government agencies, industry, and universities. The objectives of the workshop were to give overviews of the diverse activities in hierarchical approach to material modeling from continuum to atomistics; applications of multiscale modeling to advanced and improved material synthesis; defects, dislocations, and material deformation; fracture and friction; thin-film growth; characterization at nano and micro scales; and, verification and validation of numerical simulations, and to identify their potential for future aerospace systems.

Noor, Ahmed K.↗
DOE OSTI2019

Radiation-induced Swelling and Microcracking in SiC Cladding for LWRs

After the Fukushima accident in 2011, SiC has attracted considerable attention as a potential material for fuel cladding that can offer increased accident tolerance in light water reactors (LWRs) compared to zircaloy cladding. Existing measurements on nuclear grade SiC/SiC composites made of high-purity, stoichiometric SiC have already shown very good radiation tolerance in various harsh environments. However, there are a number of challenges that need to be addressed before SiC composites can be successfully used in LWR technologies. One of them is irradiation-induced swelling, which can lead to development of significant stresses in the matrix, followed by microcracking and subsequent release of fission products. Models of irradiation-induced swelling had been largely empirical and therefore they cannot be used to predict the microstructural dependence of microcracking. Existing models are also limited by the lack of understanding of defects that form due to irradiation in the range of temperatures relevant to fuel cladding in LWRs (<1000°C). Many of the defects in this regime of temperature are too small to be detected with traditional transmission electron microscopy (TEM) techniques. In fact the defects observed in traditional TEM account only for 10-45% of the swelling measured in irradiated SiC. Here, we developed a multi-scale simulation methodology combined with state of the art experimental imaging techniques based on aberration corrected scanning transmission electron microscopy (STEM) to provide a scientific basis for predictive models of radiation swelling and microcracking in SiC. Specifically, we have developed a phase field fracture model that predicts microcrack initiation and growth in polycrystalline SiC. The model accounts for single crystal anisotropy, including anisotropy in the elastic constants and anisotropic surface energy. It also considers the reduced fracture strength of grain boundaries. The model was implemented using the MARMOT mesoscale nuclear materials tool. We have parameterized the model for SiC using molecular dynamics simulation results. The model has been verified using single crystal, bicrystal, and polycrystal examples. Swelling model has also been developed based on cluster dynamics simulations of defect evolution in SiC. We found that point defects and small defect clusters have a significant contribution to swelling. This finding is important because point defects and very small defect clusters are not visible in experiments (e.g., in TEM). Combined modeling and experiments can bring critical insights into how swelling depends on irradiation conditions and the microstructure. In situ nanoindentation tests and ex situ nanoindentation tests were performed on assynthesized 3C-SiC and 3C-SiC irradiated under different radiation conditions. Without radiation, bend contour movement and residual bend contours after indentation demonstrate some room temperature plastic flow and residual plastic deformation. Plastic deformation recovery is also observed on unirradiated samples during unloading. Radiation-induced embrittlement is demonstrated by differences in crack geometry in in situ tests, and is consistent with ex situ test results. Failure by single, straight, cracks indicates decreased fracture toughness due to irradiation in 3C-SiC. Future work includes coupling of the swelling and fracture models and development of a master equation that can be used in the BISON code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

A Numerical Study of Cracks Appearance on Tungsten Surface After High Intense Pulsed Ion Beam Irradiation

Due to the outstanding physical properties, Tungsten has been proposed for use in the divertor of future fusion devices. However, tungsten shall face strong particle bombardment from the plasma, which causes severe damage to the material. The purpose of this work is to build such an accurate analytical model which can predict the damages in target material like crack production and propagation after high intense pulsed ion beam irradiation. Hence, a two-dimensional finite element method is used to study the effect of high intense pulsed ion beam on tungsten surface numerically. To judge temperature and stress distribution in material, thermal conduction model is combined with non-linear fracture mechanics model and J-Integral parameter is used as a criterion to judge the crack propagation. Simulation results reveal that different crack heights and sizes can affect the results and there is a critical depth for crack propagation. The model gives good results to real experimental observations and has potential applications for different intense pulsed electron/plasma beams and different target materials as well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

Computational simulation of microfracture in high temperature metal matrix composites

A computational simulation procedure, using three-dimensional finite element method and global strain energy release rates, is described to predict the microfracture process and identify/quantify the hierarchy of respective fracture modes in metal matrix composites. The procedure is used to predict the microfracture in unidirectional composites under longitudinal loads and accounts for the interphase strength in the in situ state. A novel procedure to computationally simulate the fiber pushthrough process is also described. In this simulation, the interface material is replaced by an anisotropic material with greatly reduced shear modulus in order to simulate the fiber pushthrough process using a linear analysis. Such a procedure is easily implemented and is computationally very effective.

Mital, Subodh K.↗