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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.

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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

iTOUGH2 v7.1

iTOUGH2 (inverse TOUGH2) provides inverse modeling capabilities for TOUGH2, a simulator for multi-dimensional, multi-phase, multi-component, non-isothermal flow and transport in fractured porous media. iTOUGH2 performs sensitivity analyses, data-worth analyses, parameter estimation, and uncertainty propagation analyses in geosciences and reservoir engineering and other application areas. iTOUGH2 supports a number of different combinations of fluids and components (equation-of-state (EOS) modules). In addition, the optimization routines implemented in iTOUGH2 can also be used for sensitivity analysis, automatic model calibration, and uncertainty quantification of any external code that uses text-based input and output files using the PEST protocol. iTOUGH2 solves the inverse problem by minimizing a non-linear objective function of the weighted differences between model output and the corresponding observations. Multiple minimization algorithms (derivative-free, gradient-based, and second-order; local and global) are available. iTOUGH2 also performs Latin Hypercube Monte Carlo simulations for uncertainty propagation analyses. A detailed residual and error analysis is provided. This upgrade includes (a) global sensitivity analysis methods, (b) dynamic memory allocation (c) additional input features and output analyses, (d) increased forward simulation capabilities, (e) parallel execution on multicore PCs and Linux clusters, and (f) bug fixes.

Finsterle, Stefan↗
DOE OSTI2016

Analysis of formability of Ca-added magnesium alloy sheets at low temperatures

The formability of sheets of the Ca-added magnesium alloy AZX311 was analyzed. The parameters affecting the sheet formability, such as the strain-hardening rate and the strain-rate sensitivity, did not seem to be higher in the alloy AZX311 at temperatures of room temperature (RT) and 200 °C. In addition, the critical stress for fracture at RT was lower in AZX311 than in AZ31. However, AZX311 exhibited higher stretchability and formability at low temperatures than AZ31. Electron back-scattered diffraction microscopy revealed that AZX311 had a weaker basal texture as well as broadened basal poles along the transverse direction. Polycrystal plasticity simulations confirmed that this weaker basal texture increases the activity of basal slip over thickness strain, resulting in the higher formability of AZX311. - Highlights: • A weak basal texture with broadening basal poles along the TD in AZX311 • Lower critical stress for fracture at RT in AZX311 than in AZ31 • Lower strain-hardening rates at low temperatures in the AZX311 than in the AZ31 • Higher formability at low temperatures in AZX311 because of the weak basal texture.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Anisotropic Thermal and Mechanical Characteristics of Graphene: A Molecular Dynamics Study

In the present work, molecular dynamics simulation has been performed to characterize the thermal and mechanical behavior of graphene sheet. For this purpose, graphene sheet is subjected to dynamic heating process and its melting point has been predicted. Structural and thermal properties have been analyzed using radial distribution function and energy per atom. To analyze factors affecting melting temperature, four graphene sheets with different dimensions have been chosen for the dynamic heating process. The melting temperature of graphene decreases with increase in the sheet dimension, hence graphene sheet having smaller dimensions show relatively better thermal stability. To analyze the mechanical behavior, graphene sheet has been subjected to uniaxial tensile loading along zigzag and armchair directions respectively. It is observed that zigzag-oriented graphene sheet shows high fracture strength and stability as compared to armchair direction. Multilayer graphene sheets have been selected to investigate the effect of multilayers on the mechanical strength. It can be revealed from results that fracture strength decreases with increase in layers, however, brittleness of the sample relatively decreases with increase in a number of graphene layers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Hydro-chemo-mechanical phase field formulation for corrosion induced cracking in reinforced concrete

Steel corrosion induced cracking in reinforced concrete structures is often caused by volumetric straining at the steel-concrete interface. This volumetric strain is mainly controlled by the rate of generation of corrosion product, which depends on the diffusion of Cl{sup −} and dissolved O{sub 2} as well as the chemical reaction at the steel-concrete interface. While many numerical modeling techniques have been proposed to tackle this complex phenomenon, most have been limited to using staggered solution schemes, where the diffusion, chemical reaction, mechanical strain, and crack fields are solved for separately. Unfortunately, such approaches introduce numerical errors that can lead to unrealistic predictions. Therefore, a coupled solution, is needed to remove the formulation induced errors and understand this complex phenomenon. To provide a unifying solution framework for corrosion induced cracking in reinforced concrete, a phase field formulation is presented and implemented with FEM algorithms. The governing equations are derived from the system's free energy and Fick's law of diffusion. The proposed formulation was first validated in 1D by comparing the modeling results with the semi-analytical solution approximated via Laurent series to avoid singularities in the complex domain. 2D plane strain solutions to the embedded rebar undergoing corrosion induced cracking with pre-cracks are also presented and compared with the approximated solutions from linear elastic fracture mechanics theory (LEFM). The modeling of crack propagation enabled by the proposed formulation is also presented along with parametric studies to reveal the roles of the fracture toughness and permeability of the concrete on the corrosion induced cracking. A case study was also conducted on H-pile steel with concrete jackets to demonstrate the feasibility of modeling corrosion induced fracture in reinforced concrete structures with complex steel-concrete interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experimental study of fracture slip due to stress perturbation in fractured geo-resources

Anthropogenic activities such as underground fluid injection/extraction, well stimulation, and dam impoundment will perturb the state-of-stress in the subsurface, which could activate critically stressed pre-existing fractures and faults. Fault and fracture activation can induce seismicity, change flow behavior, and damage asperities on the fracture surface to alter reservoir permeability. Here, in this study, triaxial shear tests were conducted on saw cut and rough fracture Barre granite specimens to better characterize how a decrease in normal stress and increase in shear stress will influence crystalline rock fracture hydromechanical properties. In a triaxial set up, confining pressure (CP) and differential stress (DS) were used to induce normal and shear stress on a 45° oriented fracture. Fracture slip and the corresponding stress relaxation was observed when the confining stress decreased. Fracture permeability increased when the fracture slipped. Moreover, new micro-cracks observed by x-ray images indicated the creation of new flow paths for fluid movement. The experimental outcomes of this study indicate that decrease in normal stress due to stress perturbations along the faults/fractures in the extensional stress regime can induce the slip along the fracture. This could have a significant influence on slope stability in quarries, stimulation and injection strategy in deep geo-resources, and potentially minimize the risk of induced seismicity. The observed stress dependency of hydraulic aperture in rough fracture during pre- and post-slip stages could provide key inputs for field-scale simulation of geo-resources.

58 GEOSCIENCES↗
DOE OSTI2019

Hydromechanical modelling to evaluate impact of fault structure on CO 2 migration in stacked storage system

Faulting processes produce a complex fault damage zone (FDZ) having permeability variations over several orders of magnitude within a very short distance. In this study we use an example normal fault system from a depleted oil field in southern Louisiana with multiple stacked sand beds along the fault structure. Geostatistical techniques are used to introduce heterogeneities of several orders of magnitude over very short distances that honor the across- and along-fault architecture of the system. A total of 15 cases are simulated to account for the impact of a fragmented core, an intact core and a naturally fractured core on inter-sand leakage rates. The presented results show the complex nature of CO 2 migration within the fault structure, where an interplay between overcoming the fault core’s high capillary entry pressure and stress propagation in the vertical direction dictates the leakage direction and rates. It is observed that hydromechanical evolution of fracture flow properties may result in significant leakage from the storage zone. In one case with small caprock thickness, a loss of 18% of the total injected mass is observed. The results presented highlight some unique features of representative fault related leakage in stacked sand systems and thus will be beneficial for storage integrity analysis in these systems.

58 GEOSCIENCES↗
DOE OSTI2016

CoCrMo cellular structures made by Electron Beam Melting studied by local tomography and finite element modelling

The work focuses on the structural and mechanical characterization of Co-Cr-Mo cellular samples with cubic pore structure made by Electron Beam Melting (EBM). X-ray tomography was used to characterize the architecture of the sample. High resolution images were also obtained thanks to local tomography in which the specimen is placed close to the X-ray source. These images enabled to observe some defects due to the fabrication process: small pores in the solid phase, partially melted particles attached to the surface. Then, in situ compression tests were performed in the tomograph. The images of the deformed sample show a progressive buckling of the vertical struts leading to final fracture. The deformation initiated where the defects were present in the strut i.e. in regions with reduced local thickness. The finite element modelling confirmed the high stress concentrations of these weak points leading to the fracture of the sample. - Highlights: • CoCrMo samples fabricated by Electron Beam Melting (EBM) process are considered. • X-ray Computed Tomography is used to observe the structure of the sample. • The mechanical properties are tested thanks to an in situ test in the tomograph. • A finite element model is developed to model the mechanical behaviour.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Geochemical Modeling of Celestite (SrSO 4 ) Precipitation and Reactive Transport in Shales

Celestite (SrSO 4 ) precipitation is a prevalent example of secondary sulfate mineral scaling issues in hydraulic fracturing systems, particularly in basins where large concentrations of naturally occurring strontium are present. Herein, we present a validated and flexible geochemical model capable of predicting celestite formation under such unconventional environments. Simulations were built using CrunchFlow and guided by experimental data derived from batch reactors. These data allowed the constraint of key kinetic and thermodynamic parameters for celestite precipitation under relevant synthetic hydraulic fracturing fluid conditions. Effects of ionic strength, saturation index, and the presence of additives were considered in the combined experimental and modeling construction. This geochemical model was then expanded into a more complex system where interactions between hydraulic fracturing fluids and shale rocks were allowed to occur subject to diffusive transport. We find that the carbonate content of a given shale and the presence of persulfate breaker in the system strongly impact the location and extent of celestite formation. The results of this study provide a novel multicomponent reactive transport model that may be used to guide future experimental design in the pursuit of celestite and other sulfate mineral scale mitigation under extreme conditions typical of hydraulic fracturing in shale formations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

High damage tolerance of electrochemically lithiated silicon

Mechanical degradation and resultant capacity fade in high-capacity electrode materials critically hinder their use in high-performance rechargeable batteries. Despite tremendous efforts devoted to the study of the electro–chemo–mechanical behaviours of high-capacity electrode materials, their fracture properties and mechanisms remain largely unknown. In this paper, we report a nanomechanical study on the damage tolerance of electrochemically lithiated silicon. Our in situ transmission electron microscopy experiments reveal a striking contrast of brittle fracture in pristine silicon versus ductile tensile deformation in fully lithiated silicon. Quantitative fracture toughness measurements by nanoindentation show a rapid brittle-to-ductile transition of fracture as the lithium-to-silicon molar ratio is increased to above 1.5. Molecular dynamics simulations elucidate the mechanistic underpinnings of the brittle-to-ductile transition governed by atomic bonding and lithiation-induced toughening. Finally, our results reveal the high damage tolerance in amorphous lithium-rich silicon alloys and have important implications for the development of durable rechargeable batteries.

25 ENERGY STORAGE↗
DOE OSTI2016

Recent advances of nanotechnology in medicine and engineering

The aim of this paper is to give an overview of some advances of nanotechnology in medicine and engineering, exploring typical applications of these emerging technologies. The mechanical properties of such small structures determine their utility and are therefore of considerable interest. Based on nanometer scale tests, a theoretical model to predict the bending strength of a nanobeam is proposed. A fracture approach which takes into account imperfections on the beam surface and crack growth is employed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1984

Three-dimensional finite-element analysis of chevron-notched fracture specimens

Stress-intensity factors and load-line displacements were calculated for chevron-notched bar and rod fracture specimens using a three-dimensional finite-element analysis. Both specimens were subjected to simulated wedge loading (either uniform applied displacement or uniform applied load). The chevron-notch sides and crack front were assumed to be straight. Crack-length-to-specimen width ratios (a/w) ranged from 0.4 to 0.7. The width-to-thickness ratio (w/B) was 1.45 or 2. The bar specimens had a height-to-width ratio of 0.435 or 0.5. Finite-element models were composed of singularity elements around the crack front and 8-noded isoparametric elements elsewhere. The models had about 11,000 degrees of freedom. Stress-intensity factors were calculated by using a nodal-force method for distribution along the crack front and by using a compliance method for average values. The stress intensity factors and load-line displacements are presented and compared with experimental solutions from the literature. The stress intensity factors and load-line displacements were about 2.5 and 5 percent lower than the reported experimental values, respectively.

Raju, I. S.↗
NASA NTRS1993

Precision linear shaped charge severance of graphite-epoxy materials

This paper presents Precision Linear Shaped Charge (PLSC) components designed to sever a variety of target materials. Recent data for the severance of graphite-epoxy panels or targets with PLSC's are presented. A brief history of the requirement to originate the development of PLSC's for weapon components at Sandia National Laboratories is presented. The Department of Energy's (DOE) nuclear weapon systems have continually decreased in size. Today's relatively small weapons require the design of much more efficient, lighter, and smaller explosive components because fragments, air shocks, and pyro-shocks associated with the function of these components can damage electrical and other sensitive components located nearby. The DOE requirements for PLSC's are listed. Therefore, linear shaped charge (LSC) components for weapon systems can no longer be empirically or experimentally designed for a given application. Many of today's designs require severing concentric cylinders, for example, where the LSC jet is designed to sever only one of the two cylinders as was the case for the B90/Nuclear Depth Strike Bomb. Therefore, code modeling and simulation technology must be utilized to obtain a better understanding of the LSC jet hydrodynamic penetration, fracture, shear, and spall mechanisms associated with the severance of metallic as well as composite targets.

Vigil, Manuel G.↗
NASA NTRS1992

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.↗
NASA NTRS1999

Development of GENOA Progressive Failure Parallel Processing Software Systems

A capability consisting of software development and experimental techniques has been developed and is described. The capability is integrated into GENOA-PFA to model polymer matrix composite (PMC) structures. The capability considers the physics and mechanics of composite materials and structure by integration of a hierarchical multilevel macro-scale (lamina, laminate, and structure) and micro scale (fiber, matrix, and interface) simulation analyses. The modeling involves (1) ply layering methodology utilizing FEM elements with through-the-thickness representation, (2) simulation of effects of material defects and conditions (e.g., voids, fiber waviness, and residual stress) on global static and cyclic fatigue strengths, (3) including material nonlinearities (by updating properties periodically) and geometrical nonlinearities (by Lagrangian updating), (4) simulating crack initiation. and growth to failure under static, cyclic, creep, and impact loads. (5) progressive fracture analysis to determine durability and damage tolerance. (6) identifying the percent contribution of various possible composite failure modes involved in critical damage events. and (7) determining sensitivities of failure modes to design parameters (e.g., fiber volume fraction, ply thickness, fiber orientation. and adhesive-bond thickness). GENOA-PFA progressive failure analysis is now ready for use to investigate the effects on structural responses to PMC material degradation from damage induced by static, cyclic (fatigue). creep, and impact loading in 2D/3D PMC structures subjected to hygrothermal environments. Its use will significantly facilitate targeting design parameter changes that will be most effective in reducing the probability of a given failure mode occurring.

Abdi, Frank↗
NASA NTRS2005

Damage Accumulation and Failure of Plasma-Sprayed Thermal Barrier Coatings under Thermal Gradient Cyclic Conditions

Thermal barrier coatings will be more aggressively designed to protect gas turbine engine hot-section components in order to meet future engine higher fuel efficiency and lower emission goals. A fundamental understanding of the sintering and thermal cycling induced delamination of thermal barrier coating systems under engine-like heat flux conditions will potentially help to improve the coating temperature capability. In this study, a test approach is established to emphasize the real-time monitoring and assessment of the coating thermal conductivity, which can initially increase under the steady-state high temperature thermal gradient test due to coating sintering, and later decrease under the thermal gradient cyclic test due to coating cracking and delamination. Thermal conductivity prediction models have been established for a ZrO2-(7- 8wt%)Y2O3 model coating system in terms of heat flux, time, and testing temperatures. The coating delamination accumulation is then assessed based on the observed thermal conductivity response under the combined steady-state and cyclic thermal gradient tests. The coating thermal gradient cycling associated delaminations and failure mechanisms under simulated engine heat-flux conditions will be discussed in conjunction with the coating sintering and fracture testing results.

Zhu, Dongming↗
NASA NTRS2019

Benchmarking Mixed Mode Failure in Progressive Damage and Failure Analysis Methods

The verification and validation of progressive-damage-analysis finite element methods are difficult but critical tasks to undertake during their development. Verification exercises assess whether a predictive analysis tool produces results that are consistent with the fundamental concepts and assumptions of the tool under evaluation. Ideally, closed-form analytical solutions can be derived for which method verification results can be compared. Problems selected for computational tool verification are often simple and isolate individual features of the tool. In the case of progressive damage finite element methods, verifications should be performed to evaluate the ability of the model to predict the initiation of damage and its growth through the finite element mesh under a variety of conditions. Mabson et al. proposed a test case of a unidirectional, fiber-reinforced plate with a center crack subjected to tensile loads to evaluate matrix crack propagation predictions. The problem was modeled using the Abaqus Hashin continuum damage mechanics (CDM) model for fiber-reinforced composites. Different combinations of matrix strengths and element sizes were used in the simulations, and the results were compared to a closed-form solution based on linear elastic fracture mechanics (LEFM). It was determined that the Abaqus CDM model could predict the LEFM solution of Mode I cracks only when the finite element mesh density met specific requirements based on the material properties. This paper presents closed-form LEFM solutions for a center notch mixed mode (CNMM) verification problem. Parametric finite element analyses were developed using progressive damage analysis methods of both the Discrete Damage Mechanics (DDM) and CDM classes. The progressive damage analysis methods applied in the analyses of the CNMM problem include CompDam and the Floating Node Method. Analyses were conducted with various mode mixities and element sizes to verify that the damage models were working as intended and to identify any limits of applicability.

Leone, Frank↗
DOE OSTI2013

Hardness-based plasticity and fracture model for quench-hardenable boron steel (22MnB5)

A comprehensive strain hardening and fracture characterization of different grades of boron steel blanks has been performed, providing the foundation for the implementation into the modular material model (MMM) framework developed by Volkswagen Group Research for an explicit crash code. Due to the introduction of hardness-based interpolation rules for the characterized main grades, the hardening and fracture behavior is solely described by the underlying Vickers hardness. In other words, knowledge of the hardness distribution within a hot-formed component is enough to set up the newly developed computational model. The hardness distribution can be easily introduced via an experimentally measured hardness curve or via hardness mapping from a corresponding hot-forming simulation. For industrial application using rather coarse and computationally inexpensive shell element meshes, the user material model has been extended by a necking/post-necking model with reduced mesh-dependency as an additional failure mode. The present paper mainly addresses the necking/post-necking model.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Effect of Aging on the Delamination Fracture Energy of Glass Solar Reflectors

Thin metal and metal oxide films deposited on glass or polymer substrates have been widely applied to manufacture front surfaced solar reflectors such as those used in the concentrated solar power (CSP) systems due to the facts that they are highly transparent, resistant to ultraviolet (UV) light and abrasion, and chemically inert. However, the reliable operation over long periods of outdoor exposure of such solar reflectors depends on the adequate adhesion between each layer to prevent delamination and subsequent failure. We report results from measurements of the delamination fracture energy (DFE) of the weakest interface in both as-deposited and aged reflectors, where the reflector construction consists of a glass/copper/silver/oxide stack. In this study, DFE was measured using a width-tapered beam method and the test results showed that the weakest interface of this solar reflector is the copper-glass interface, with a delamination fracture energy of approximately 4.4 J/m 2 . In order to verify the test results, finite element (FE) simulations were run using the commercial software package ABAQUS 6.14 based on the cohesive zone model (CZM). In the simulations, the DFE derived from the delamination measurement was treated as an input and the delamination forces from the FE simulations were compared to the experimental results. The good agreement between the tested and simulated delamination force indicated that this width-tapered beam method is accurate even for very small DFE, making it appropriate to test the DFE of front surfaced glass solar reflectors. Additionally, in order to study the aging effect on the DFE, accelerated aging tests were conducted using samples with different protective coatings, one group of samples with alumina ( Al 2 O 3 ) protective coating and the other group with titania ( TiO 2 ) protective coating. The DFE after 50 and 100 hours of accelerated aging were measured. The test results showed that the copper-glass interface would still be the weakest interface for all samples after aging, and the DFE for samples with Al 2 O 3 protective coating was unchanged whereas the copper-glass interface was found to undergo statistically significant change after both 50 and 100 hours of aging for samples with TiO 2 protective coating. We found that DFE at the copper/glass interface decreased after 50 hours of aging then increased after 100 hours of aging. The origin of this non-monotonic response of TiO 2 coated reflectors under accelerated aging conditions is unknown.

36 MATERIALS SCIENCE↗