Multiscale Analysis of Structurally-Graded Microstructures Using Molecular Dynamics, Discrete Dislocation Dynamics and Continuum Crystal Plasticity

NASA Technical Reports Server (NTRS)

Saether, Erik; Hochhalter, Jacob D.; Glaessgen, Edward H.; Mishin, Yuri

2014-01-01

A multiscale modeling methodology is developed for structurally-graded material microstructures. Molecular dynamic (MD) simulations are performed at the nanoscale to determine fundamental failure mechanisms and quantify material constitutive parameters. These parameters are used to calibrate material processes at the mesoscale using discrete dislocation dynamics (DD). Different grain boundary interactions with dislocations are analyzed using DD to predict grain-size dependent stress-strain behavior. These relationships are mapped into crystal plasticity (CP) parameters to develop a computationally efficient finite element-based DD/CP model for continuum-level simulations and complete the multiscale analysis by predicting the behavior of macroscopic physical specimens. The present analysis is focused on simulating the behavior of a graded microstructure in which grain sizes are on the order of nanometers in the exterior region and transition to larger, multi-micron size in the interior domain. This microstructural configuration has been shown to offer improved mechanical properties over homogeneous coarse-grained materials by increasing yield stress while maintaining ductility. Various mesoscopic polycrystal models of structurally-graded microstructures are generated, analyzed and used as a benchmark for comparison between multiscale DD/CP model and DD predictions. A final series of simulations utilize the DD/CP analysis method exclusively to study macroscopic models that cannot be analyzed by MD or DD methods alone due to the model size.

Phase-field based Multiscale Modeling of Heterogeneous Solid Electrolytes: Applications to Nanoporous Li 3 PS 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Jia-Mian; Wang, Bo; Ji, Yanzhou

Modeling the effective ion conductivities of heterogeneous solid electrolytes typically involves the use of a computer-generated microstructure consisting of randomly or uniformly oriented fillers in a matrix. But, the structural features of the filler/matrix interface, which critically determine the interface ion conductivity and the microstructure morphology, have not been considered during the microstructure generation. In using nanoporous β-Li 3PS 4 electrolyte as an example, we develop a phase-field model that enables generating nanoporous microstructures of different porosities and connectivity patterns based on the depth and the energy of the surface (pore/electrolyte interface), both of which are predicted through density functionalmore » theory (DFT) calculations. Room-temperature effective ion conductivities of the generated microstructures are then calculated numerically, using DFT-estimated surface Li-ion conductivity (3.14×10 -3 S/cm) and experimentally measured bulk Li-ion conductivity (8.93×10 -7 S/cm) of β-Li 3PS 4 as the inputs. We also use the generated microstructures to inform effective medium theories to rapidly predict the effective ion conductivity via analytical calculations. Furthemore, when porosity approaches the percolation threshold, both the numerical and analytical methods predict a significantly enhanced Li-ion conductivity (1.74×10 -4 S/cm) that is in good agreement with experimental data (1.64×10 -4 S/cm). The present phase-field based multiscale model is generally applicable to predict both the microstructure patterns and the effective properties of heterogeneous solid electrolytes.« less

Phase-field based Multiscale Modeling of Heterogeneous Solid Electrolytes: Applications to Nanoporous Li 3 PS 4

DOE PAGES

Hu, Jia-Mian; Wang, Bo; Ji, Yanzhou; ...

2017-09-07

Modeling the effective ion conductivities of heterogeneous solid electrolytes typically involves the use of a computer-generated microstructure consisting of randomly or uniformly oriented fillers in a matrix. But, the structural features of the filler/matrix interface, which critically determine the interface ion conductivity and the microstructure morphology, have not been considered during the microstructure generation. In using nanoporous β-Li 3PS 4 electrolyte as an example, we develop a phase-field model that enables generating nanoporous microstructures of different porosities and connectivity patterns based on the depth and the energy of the surface (pore/electrolyte interface), both of which are predicted through density functionalmore » theory (DFT) calculations. Room-temperature effective ion conductivities of the generated microstructures are then calculated numerically, using DFT-estimated surface Li-ion conductivity (3.14×10 -3 S/cm) and experimentally measured bulk Li-ion conductivity (8.93×10 -7 S/cm) of β-Li 3PS 4 as the inputs. We also use the generated microstructures to inform effective medium theories to rapidly predict the effective ion conductivity via analytical calculations. Furthemore, when porosity approaches the percolation threshold, both the numerical and analytical methods predict a significantly enhanced Li-ion conductivity (1.74×10 -4 S/cm) that is in good agreement with experimental data (1.64×10 -4 S/cm). The present phase-field based multiscale model is generally applicable to predict both the microstructure patterns and the effective properties of heterogeneous solid electrolytes.« less

A Comparative study of two RVE modelling methods for chopped carbon fiber SMC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Zhangxing; Li, Yi; Shao, Yimin

To achieve vehicle light-weighting, the chopped carbon fiber sheet molding compound (SMC) is identified as a promising material to replace metals. However, there are no effective tools and methods to predict the mechanical property of the chopped carbon fiber SMC due to the high complexity in microstructure features and the anisotropic properties. In this paper, the Representative Volume Element (RVE) approach is used to model the SMC microstructure. Two modeling methods, the Voronoi diagram-based method and the chip packing method, are developed for material RVE property prediction. The two methods are compared in terms of the predicted elastic modulus andmore » the predicted results are validated using the Digital Image Correlation (DIC) tensile test results. Furthermore, the advantages and shortcomings of these two methods are discussed in terms of the required input information and the convenience of use in the integrated processing-microstructure-property analysis.« less

Process-Structure Linkages Using a Data Science Approach: Application to Simulated Additive Manufacturing Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popova, Evdokia; Rodgers, Theron M.; Gong, Xinyi

A novel data science workflow is developed and demonstrated to extract process-structure linkages (i.e., reduced-order model) for microstructure evolution problems when the final microstructure depends on (simulation or experimental) processing parameters. Our workflow consists of four main steps: data pre-processing, microstructure quantification, dimensionality reduction, and extraction/validation of process-structure linkages. These methods that can be employed within each step vary based on the type and amount of available data. In this paper, this data-driven workflow is applied to a set of synthetic additive manufacturing microstructures obtained using the Potts-kinetic Monte Carlo (kMC) approach. Additive manufacturing techniques inherently produce complex microstructures thatmore » can vary significantly with processing conditions. Using the developed workflow, a low-dimensional data-driven model was established to correlate process parameters with the predicted final microstructure. In addition, the modular workflows developed and presented in this work facilitate easy dissemination and curation by the broader community.« less

Process-Structure Linkages Using a Data Science Approach: Application to Simulated Additive Manufacturing Data

DOE PAGES

Popova, Evdokia; Rodgers, Theron M.; Gong, Xinyi; ...

2017-03-13

A novel data science workflow is developed and demonstrated to extract process-structure linkages (i.e., reduced-order model) for microstructure evolution problems when the final microstructure depends on (simulation or experimental) processing parameters. Our workflow consists of four main steps: data pre-processing, microstructure quantification, dimensionality reduction, and extraction/validation of process-structure linkages. These methods that can be employed within each step vary based on the type and amount of available data. In this paper, this data-driven workflow is applied to a set of synthetic additive manufacturing microstructures obtained using the Potts-kinetic Monte Carlo (kMC) approach. Additive manufacturing techniques inherently produce complex microstructures thatmore » can vary significantly with processing conditions. Using the developed workflow, a low-dimensional data-driven model was established to correlate process parameters with the predicted final microstructure. In addition, the modular workflows developed and presented in this work facilitate easy dissemination and curation by the broader community.« less

A microstructurally based model of solder joints under conditions of thermomechanical fatigue

NASA Astrophysics Data System (ADS)

Frear, D. R.; Burchett, S. N.; Rashid, M. M.

The thermomechanical fatigue failure of solder joints is increasingly becoming an important reliability issue. We present two computational methodologies that have been developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions that are based on metallurgical tests as fundamental input for constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations from this model agree well with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. The single phase model is a computational technique that was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests and the results showed an adequate fit to experimental results. The single-phase model could be very useful for conditions where microstructural evolution is not a dominant factor in fatigue.

Computer simulation of solder joint failure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burchett, S.N.; Frear, D.R.; Rashid, M.M.

The thermomechanical fatigue failure of solder joints is increasingly becoming an important reliability issue for electronic packages. The purpose of this Laboratory Directed Research and Development (LDRD) project was to develop computational tools for simulating the behavior of solder joints under strain and temperature cycling, taking into account the microstructural heterogeneities that exist in as-solidified near eutectic Sn-Pb joints, as well as subsequent microstructural evolution. The authors present two computational constitutive models, a two-phase model and a single-phase model, that were developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions. Unique metallurgical tests provide themore » fundamental input for the constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations with this model agree qualitatively with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. The single-phase model was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. Special thermomechanical fatigue tests were developed to give fundamental materials input to the models, and an in situ SEM thermomechanical fatigue test system was developed to characterize microstructural evolution and the mechanical behavior of solder joints during the test. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests. The simulation results from the two-phase model showed good fit to the experimental test results.« less

Computational Prediction of Shock Ignition Thresholds and Ignition Probability of Polymer-Bonded Explosives

NASA Astrophysics Data System (ADS)

Wei, Yaochi; Kim, Seokpum; Horie, Yasuyuki; Zhou, Min

2017-06-01

A computational approach is developed to predict the probabilistic ignition thresholds of polymer-bonded explosives (PBXs). The simulations explicitly account for microstructure, constituent properties, and interfacial responses and capture processes responsible for the development of hotspots and damage. The specific damage mechanisms considered include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, and heat conduction. The probabilistic analysis uses sets of statistically similar microstructure samples to mimic relevant experiments for statistical variations of material behavior due to inherent material heterogeneities. The ignition thresholds and corresponding ignition probability maps are predicted for PBX 9404 and PBX 9501 for the impact loading regime of Up = 200 --1200 m/s. James and Walker-Wasley relations are utilized to establish explicit analytical expressions for the ignition probability as a function of load intensities. The predicted results are in good agreement with available experimental measurements. The capability to computationally predict the macroscopic response out of material microstructures and basic constituent properties lends itself to the design of new materials and the analysis of existing materials. The authors gratefully acknowledge the support from Air Force Office of Scientific Research (AFOSR) and the Defense Threat Reduction Agency (DTRA).

A Microstructure-Based Time-Dependent Crack Growth Model for Life and Reliability Prediction of Turbopropulsion Systems

NASA Astrophysics Data System (ADS)

Chan, Kwai S.; Enright, Michael P.; Moody, Jonathan; Fitch, Simeon H. K.

2014-01-01

The objective of this investigation was to develop an innovative methodology for life and reliability prediction of hot-section components in advanced turbopropulsion systems. A set of generic microstructure-based time-dependent crack growth (TDCG) models was developed and used to assess the sources of material variability due to microstructure and material parameters such as grain size, activation energy, and crack growth threshold for TDCG. A comparison of model predictions and experimental data obtained in air and in vacuum suggests that oxidation is responsible for higher crack growth rates at high temperatures, low frequencies, and long dwell times, but oxidation can also induce higher crack growth thresholds (Δ K th or K th) under certain conditions. Using the enhanced risk analysis tool and material constants calibrated to IN 718 data, the effect of TDCG on the risk of fracture in turboengine components was demonstrated for a generic rotor design and a realistic mission profile using the DARWIN® probabilistic life-prediction code. The results of this investigation confirmed that TDCG and cycle-dependent crack growth in IN 718 can be treated by a simple summation of the crack increments over a mission. For the temperatures considered, TDCG in IN 718 can be considered as a K-controlled or a diffusion-controlled oxidation-induced degradation process. This methodology provides a pathway for evaluating microstructural effects on multiple damage modes in hot-section components.

A predictive machine learning approach for microstructure optimization and materials design

NASA Astrophysics Data System (ADS)

Liu, Ruoqian; Kumar, Abhishek; Chen, Zhengzhang; Agrawal, Ankit; Sundararaghavan, Veera; Choudhary, Alok

2015-06-01

This paper addresses an important materials engineering question: How can one identify the complete space (or as much of it as possible) of microstructures that are theoretically predicted to yield the desired combination of properties demanded by a selected application? We present a problem involving design of magnetoelastic Fe-Ga alloy microstructure for enhanced elastic, plastic and magnetostrictive properties. While theoretical models for computing properties given the microstructure are known for this alloy, inversion of these relationships to obtain microstructures that lead to desired properties is challenging, primarily due to the high dimensionality of microstructure space, multi-objective design requirement and non-uniqueness of solutions. These challenges render traditional search-based optimization methods incompetent in terms of both searching efficiency and result optimality. In this paper, a route to address these challenges using a machine learning methodology is proposed. A systematic framework consisting of random data generation, feature selection and classification algorithms is developed. Experiments with five design problems that involve identification of microstructures that satisfy both linear and nonlinear property constraints show that our framework outperforms traditional optimization methods with the average running time reduced by as much as 80% and with optimality that would not be achieved otherwise.

Data-driven reduced order models for effective yield strength and partitioning of strain in multiphase materials

NASA Astrophysics Data System (ADS)

Latypov, Marat I.; Kalidindi, Surya R.

2017-10-01

There is a critical need for the development and verification of practically useful multiscale modeling strategies for simulating the mechanical response of multiphase metallic materials with heterogeneous microstructures. In this contribution, we present data-driven reduced order models for effective yield strength and strain partitioning in such microstructures. These models are built employing the recently developed framework of Materials Knowledge Systems that employ 2-point spatial correlations (or 2-point statistics) for the quantification of the heterostructures and principal component analyses for their low-dimensional representation. The models are calibrated to a large collection of finite element (FE) results obtained for a diverse range of microstructures with various sizes, shapes, and volume fractions of the phases. The performance of the models is evaluated by comparing the predictions of yield strength and strain partitioning in two-phase materials with the corresponding predictions from a classical self-consistent model as well as results of full-field FE simulations. The reduced-order models developed in this work show an excellent combination of accuracy and computational efficiency, and therefore present an important advance towards computationally efficient microstructure-sensitive multiscale modeling frameworks.

Stability of phase transformation models for Ti-6Al-4V under cyclic thermal loading imposed during laser metal deposition

NASA Astrophysics Data System (ADS)

Klusemann, Benjamin; Bambach, Markus

2018-05-01

Processing conditions play a crucial role for the resulting microstructure and properties of the material. In particular, processing materials under non-equilibrium conditions can lead to a remarkable improvement of the final properties [1]. Additive manufacturing represents a specific process example considered in this study. Models for the prediction of residual stresses and microstructure in additive manufacturing processes, such as laser metal deposition, are being developed with huge efforts to support the development of materials and processes as well as to support process design [2-4]. Since the microstructure predicted after each heating and cooling cycle induced by the moving laser source enters the phase transformation kinetics and microstucture evolution of the subsequent heating and cooling cycle, a feed-back loop for the microstructure calculation is created. This calculation loop may become unstable so that the computed microstructure and related properties become very sensitive to small variations in the input parameters, e.g. thermal conductivity. In this paper, a model for phase transformation in Ti-6Al-4V, originally proposed by Charles Murgau et al. [5], is adopted and minimal adjusted concerning the decomposition of the martensite phase are made. This model is subsequently used to study the changes in the predictions of the different phase volume fractions during heating and cooling under the conditions of laser metal deposition with respect to slight variations in the thermal process history.

A microstructurally based model of solder joints under conditions of thermomechanical fatigue

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frear, D.R.; Burchett, S.N.; Rashid, M.M.

The thermomechanical fatigue failure of solder joints in increasingly becoming an important reliability issue. In this paper we present two computational methodologies that have been developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions that are based on metallurgical tests as fundamental input for constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations from this model agree well with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. Themore » single phase model is a computational technique that was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests and the results showed an adequate fit to experimental results. The single-phase model could be very useful for conditions where microstructural evolution is not a dominant factor in fatigue.« less

Computational Simulation of Thermal and Spattering Phenomena and Microstructure in Selective Laser Melting of Inconel 625

NASA Astrophysics Data System (ADS)

Özel, Tuğrul; Arısoy, Yiğit M.; Criales, Luis E.

Computational modelling of Laser Powder Bed Fusion (L-PBF) processes such as Selective laser Melting (SLM) can reveal information that is hard to obtain or unobtainable by in-situ experimental measurements. A 3D thermal field that is not visible by the thermal camera can be obtained by solving the 3D heat transfer problem. Furthermore, microstructural modelling can be used to predict the quality and mechanical properties of the product. In this paper, a nonlinear 3D Finite Element Method based computational code is developed to simulate the SLM process with different process parameters such as laser power and scan velocity. The code is further improved by utilizing an in-situ thermal camera recording to predict spattering which is in turn included as a stochastic heat loss. Then, thermal gradients extracted from the simulations applied to predict growth directions in the resulting microstructure.

Microstructure Modeling of 3rd Generation Disk Alloys

NASA Technical Reports Server (NTRS)

Jou, Herng-Jeng

2010-01-01

The objective of this program is to model, validate, and predict the precipitation microstructure evolution, using PrecipiCalc (QuesTek Innovations LLC) software, for 3rd generation Ni-based gas turbine disc superalloys during processing and service, with a set of logical and consistent experiments and characterizations. Furthermore, within this program, the originally research-oriented microstructure simulation tool will be further improved and implemented to be a useful and user-friendly engineering tool. In this report, the key accomplishment achieved during the second year (2008) of the program is summarized. The activities of this year include final selection of multicomponent thermodynamics and mobility databases, precipitate surface energy determination from nucleation experiment, multiscale comparison of predicted versus measured intragrain precipitation microstructure in quench samples showing good agreement, isothermal coarsening experiment and interaction of grain boundary and intergrain precipitates, primary microstructure of subsolvus treatment, and finally the software implementation plan for the third year of the project. In the following year, the calibrated models and simulation tools will be validated against an independently developed experimental data set, with actual disc heat treatment process conditions. Furthermore, software integration and implementation will be developed to provide material engineers valuable information in order to optimize the processing of the 3rd generation gas turbine disc alloys.

A statistical model of brittle fracture by transgranular cleavage

NASA Astrophysics Data System (ADS)

Lin, Tsann; Evans, A. G.; Ritchie, R. O.

A MODEL for brittle fracture by transgranular cleavage cracking is presented based on the application of weakest link statistics to the critical microstructural fracture mechanisms. The model permits prediction of the macroscopic fracture toughness, KI c, in single phase microstructures containing a known distribution of particles, and defines the critical distance from the crack tip at which the initial cracking event is most probable. The model is developed for unstable fracture ahead of a sharp crack considering both linear elastic and nonlinear elastic ("elastic/plastic") crack tip stress fields. Predictions are evaluated by comparison with experimental results on the low temperature flow and fracture behavior of a low carbon mild steel with a simple ferrite/grain boundary carbide microstructure.

A predictive machine learning approach for microstructure optimization and materials design

DOE PAGES

Liu, Ruoqian; Kumar, Abhishek; Chen, Zhengzhang; ...

2015-06-23

This paper addresses an important materials engineering question: How can one identify the complete space (or as much of it as possible) of microstructures that are theoretically predicted to yield the desired combination of properties demanded by a selected application? We present a problem involving design of magnetoelastic Fe-Ga alloy microstructure for enhanced elastic, plastic and magnetostrictive properties. While theoretical models for computing properties given the microstructure are known for this alloy, inversion of these relationships to obtain microstructures that lead to desired properties is challenging, primarily due to the high dimensionality of microstructure space, multi-objective design requirement and non-uniquenessmore » of solutions. These challenges render traditional search-based optimization methods incompetent in terms of both searching efficiency and result optimality. In this paper, a route to address these challenges using a machine learning methodology is proposed. A systematic framework consisting of random data generation, feature selection and classification algorithms is developed. In conclusion, experiments with five design problems that involve identification of microstructures that satisfy both linear and nonlinear property constraints show that our framework outperforms traditional optimization methods with the average running time reduced by as much as 80% and with optimality that would not be achieved otherwise.« less

A mechanics framework for a progressive failure methodology for laminated composites

NASA Technical Reports Server (NTRS)

Harris, Charles E.; Allen, David H.; Lo, David C.

1989-01-01

A laminate strength and life prediction methodology has been postulated for laminated composites which accounts for the progressive development of microstructural damage to structural failure. A damage dependent constitutive model predicts the stress redistribution in an average sense that accompanies damage development in laminates. Each mode of microstructural damage is represented by a second-order tensor valued internal state variable which is a strain like quantity. The mechanics framework together with the global-local strategy for predicting laminate strength and life is presented in the paper. The kinematic effects of damage are represented by effective engineering moduli in the global analysis and the results of the global analysis provide the boundary conditions for the local ply level stress analysis. Damage evolution laws are based on experimental results.

Microstructure Optimization of Dual-Phase Steels Using a Representative Volume Element and a Response Surface Method: Parametric Study

NASA Astrophysics Data System (ADS)

Belgasam, Tarek M.; Zbib, Hussein M.

2017-12-01

Dual-phase (DP) steels have received widespread attention for their low density and high strength. This low density is of value to the automotive industry for the weight reduction it offers and the attendant fuel savings and emission reductions. Recent studies on developing DP steels showed that the combination of strength/ductility could be significantly improved when changing the volume fraction and grain size of phases in the microstructure depending on microstructure properties. Consequently, DP steel manufacturers are interested in predicting microstructure properties and in optimizing microstructure design. In this work, a microstructure-based approach using representative volume elements (RVEs) was developed. The approach examined the flow behavior of DP steels using virtual tension tests with an RVE to identify specific mechanical properties. Microstructures with varied martensite and ferrite grain sizes, martensite volume fractions, carbon content, and morphologies were studied in 3D RVE approaches. The effect of these microstructure parameters on a combination of strength/ductility of DP steels was examined numerically using the finite element method by implementing a dislocation density-based elastic-plastic constitutive model, and a Response surface methodology to determine the optimum conditions for a required combination of strength/ductility. The results from the numerical simulations are compared with experimental results found in the literature. The developed methodology proves to be a powerful tool for studying the effect and interaction of key microstructural parameters on strength and ductility and thus can be used to identify optimum microstructural conditions.

The role of microstructure and phase distribution in the failure mechanisms and life prediction model for PSZ coatings

NASA Technical Reports Server (NTRS)

Sisson, R. D., Jr.; Sone, Ichiro; Biederman, R. R.

1985-01-01

Partially Stabilized Zirconia (PSZ) may become widely used for Thermal Barrier Coatings (TBC). Failure of these coatings can occur due to thermal fatigue in oxidizing atmospheres. The failure is due to the strains that develop due to thermal gradients, differences in thermal expansion coefficients, and oxidation of the bond coating. The role of microstructure and the cubic, tetragonal, and monoclinic phase distribution in the strain development and subsequent failure will be discussed. An X-ray diffraction technique for accurate determination of the fraction of each phase in PSZ will be applied to understanding the phase transformations and strain development. These results will be discussed in terms of developing a model for life prediction in PSZ coatings during thermal cycling.

Artery buckling analysis using a two-layered wall model with collagen dispersion.

PubMed

Mottahedi, Mohammad; Han, Hai-Chao

2016-07-01

Artery buckling has been proposed as a possible cause for artery tortuosity associated with various vascular diseases. Since microstructure of arterial wall changes with aging and diseases, it is essential to establish the relationship between microscopic wall structure and artery buckling behavior. The objective of this study was to developed arterial buckling equations to incorporate the two-layered wall structure with dispersed collagen fiber distribution. Seven porcine carotid arteries were tested for buckling to determine their critical buckling pressures at different axial stretch ratios. The mechanical properties of these intact arteries and their intima-media layer were determined via pressurized inflation test. Collagen alignment was measured from histological sections and modeled by a modified von-Mises distribution. Buckling equations were developed accordingly using microstructure-motivated strain energy function. Our results demonstrated that collagen fibers disperse around two mean orientations symmetrically to the circumferential direction (39.02°±3.04°) in the adventitia layer; while aligning closely in the circumferential direction (2.06°±3.88°) in the media layer. The microstructure based two-layered model with collagen fiber dispersion described the buckling behavior of arteries well with the model predicted critical pressures match well with the experimental measurement. Parametric studies showed that with increasing fiber dispersion parameter, the predicted critical buckling pressure increases. These results validate the microstructure-based model equations for artery buckling and set a base for further studies to predict the stability of arteries due to microstructural changes associated with vascular diseases and aging. Copyright © 2016 Elsevier Ltd. All rights reserved.

Microstructured optical fiber-based luminescent biosensing: Is there any light at the end of the tunnel? - A review.

PubMed

Pidenko, Sergey A; Burmistrova, Natalia A; Shuvalov, Andrey A; Chibrova, Anastasiya A; Skibina, Yulia S; Goryacheva, Irina Y

2018-08-17

This review covers the current state of the art of luminescent biosensors based on various types of microstructured optical fiber. The unique optical and structural properties of this type of optical fiber make them one of the most promising integrated platforms for bioassays. The individual sections of this review are devoted to a) classification of microstructured optical fibers, b) microstructured optical fiber materials, c) aspects of biosensing based on the biomolecules incorporated into the microstructured optical fibers, and d) development of models for prediction of the efficiency of luminescent signal processing. The authors' views on current trends and limitations of microstructured optical fibers for biosensing as well as the most promising areas and technologies for application in analytical practice are presented. Copyright © 2017 Elsevier B.V. All rights reserved.

Solidification microstructures in single-crystal stainless steel melt pools

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sipf, J.B.; Boatner, L.A.; David, S.A.

1994-03-01

Development of microstructure of stationary melt pools of oriented stainless steel single crystals (70%Fe-15%Ni-15%Cr was analyzed. Stationary melt pools were formed by electron-beam and gas-tungsten-arc heating on (001), (011), and (111) oriented planes of the austenitic, fcc-alloy crystals. Characterization and analysis of resulting microstructure was carried out for each crystallographic plane and welding method. Results showed that crystallography which favors ``easy growth`` along the <100> family of directions is a controlling factor in the microstructural formation along with the melt-pool shape. The microstructure was found to depend on the melting method, since each method forms a unique melt-pool shape. Thesemore » results are used in making a three-dimensional reconstruction of the microstructure for each plane and melting method employed. This investigation also suggests avenues for future research into the microstructural properties of electron-beam welds as well as providing an experimental basis for mathematical models for the prediction of solidification microstructures.« less

Simulation of thermomechanical fatigue in solder joints

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang, H.E.; Porter, V.L.; Fye, R.M.

1997-12-31

Thermomechanical fatigue (TMF) is a very complex phenomenon in electronic component systems and has been identified as one prominent degradation mechanism for surface mount solder joints in the stockpile. In order to precisely predict the TMF-related effects on the reliability of electronic components in weapons, a multi-level simulation methodology is being developed at Sandia National Laboratories. This methodology links simulation codes of continuum mechanics (JAS3D), microstructural mechanics (GLAD), and microstructural evolution (PARGRAIN) to treat the disparate length scales that exist between the macroscopic response of the component and the microstructural changes occurring in its constituent materials. JAS3D is used tomore » predict strain/temperature distributions in the component due to environmental variable fluctuations. GLAD identifies damage initiation and accumulation in detail based on the spatial information provided by JAS3D. PARGRAIN simulates the changes of material microstructure, such as the heterogeneous coarsening in Sn-Pb solder, when the component`s service environment varies.« less

Salmonella Typhimurium and Staphylococcus aureus dynamics in/on variable (micro)structures of fish-based model systems at suboptimal temperatures.

PubMed

Baka, Maria; Verheyen, Davy; Cornette, Nicolas; Vercruyssen, Stijn; Van Impe, Jan F

2017-01-02

The limited knowledge concerning the influence of food (micro)structure on microbial dynamics decreases the accuracy of the developed predictive models, as most studies have mainly been based on experimental data obtained in liquid microbiological media or in/on real foods. The use of model systems has a great potential when studying this complex factor. Apart from the variability in (micro)structural properties, model systems vary in compositional aspects, as a consequence of their (micro)structural variation. In this study, different experimental food model systems, with compositional and physicochemical properties similar to fish patés, are developed to study the influence of food (micro)structure on microbial dynamics. The microbiological safety of fish products is of major importance given the numerous cases of salmonellosis and infections attributed to staphylococcus toxins. The model systems understudy represent food (micro)structures of liquids, aqueous gels, emulsions and gelled emulsions. The growth/inactivation dynamics and a modelling approach of combined growth and inactivation of Salmonella Typhimurium and Staphylococcus aureus, related to fish products, are investigated in/on these model systems at temperatures relevant to fish products' common storage (4°C) and to abuse storage temperatures (8 and 12°C). ComBase (http://www.combase.cc/) predictions compared with the maximum specific growth rate (μ max ) values estimated by the Baranyi and Roberts model in the current study indicated that the (micro)structure influences the microbial dynamics. Overall, ComBase overestimated microbial growth at the same pH, a w and storage temperature. Finally, the storage temperature had also an influence on how much each model system affected the microbial dynamics. Copyright © 2016. Published by Elsevier B.V.

Characterizing ceramics and the interfacial adhesion to resin: I - The relationship of microstructure, composition, properties and fractography.

PubMed

Della Bona, Alvaro

2005-03-01

The appeal of ceramics as structural dental materials is based on their light weight, high hardness values, chemical inertness, and anticipated unique tribological characteristics. A major goal of current ceramic research and development is to produce tough, strong ceramics that can provide reliable performance in dental applications. Quantifying microstructural parameters is important to develop structure/property relationships. Quantitative microstructural analysis provides an association among the constitution, physical properties, and structural characteristics of materials. Structural reliability of dental ceramics is a major factor in the clinical success of ceramic restorations. Complex stress distributions are present in most practical conditions and strength data alone cannot be directly extrapolated to predict structural performance.

Predicting grid-size-dependent fracture strains of DP980 with a microstructure-based post-necking model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, G.; Hu, X. H.; Choi, K. S.

Ductile fracture is a local phenomenon, and it is well established that fracture strain levels depend on both stress triaxiality and the resolution (grid size) of strain measurements. Two-dimensional plane strain post-necking models with different representative volume element (RVE) sizes are used to predict the size-dependent fracture strain of a commercial dual-phase steel, DP980. The models are generated from the actual microstructures, and the individual phase flow properties and literature-based individual phase damage parameters for the Johnson-Cook model are used for ferrite and martensite. A monotonic relationship is predicted: the smaller the model size, the higher the fracture strain. Thus,more » a general framework is developed to quantify the size-dependent fracture strains for multiphase materials. In addition to the RVE sizes, the influences of intrinsic microstructure features, i.e., the flow curve and fracture strains of the two constituent phases, on the predicted fracture strains also are examined. Application of the derived fracture strain versus RVE size relationship is demonstrated with large clearance trimming simulations with different element sizes.« less

Three-dimensional microstructure simulation of Ni-based superalloy investment castings

NASA Astrophysics Data System (ADS)

Pan, Dong; Xu, Qingyan; Liu, Baicheng

2011-05-01

An integrated macro and micro multi-scale model for the three-dimensional microstructure simulation of Ni-based superalloy investment castings was developed, and applied to industrial castings to investigate grain evolution during solidification. A ray tracing method was used to deal with the complex heat radiation transfer. The microstructure evolution was simulated based on the Modified Cellular Automaton method, which was coupled with three-dimensional nested macro and micro grids. Experiments for Ni-based superalloy turbine wheel investment casting were carried out, which showed a good correspondence with the simulated results. It is indicated that the proposed model is able to predict the microstructure of the casting precisely, which provides a tool for the optimizing process.

Predictive modeling capabilities from incident powder and laser to mechanical properties for laser directed energy deposition

NASA Astrophysics Data System (ADS)

Shin, Yung C.; Bailey, Neil; Katinas, Christopher; Tan, Wenda

2018-05-01

This paper presents an overview of vertically integrated comprehensive predictive modeling capabilities for directed energy deposition processes, which have been developed at Purdue University. The overall predictive models consist of vertically integrated several modules, including powder flow model, molten pool model, microstructure prediction model and residual stress model, which can be used for predicting mechanical properties of additively manufactured parts by directed energy deposition processes with blown powder as well as other additive manufacturing processes. Critical governing equations of each model and how various modules are connected are illustrated. Various illustrative results along with corresponding experimental validation results are presented to illustrate the capabilities and fidelity of the models. The good correlations with experimental results prove the integrated models can be used to design the metal additive manufacturing processes and predict the resultant microstructure and mechanical properties.

Predictive modeling capabilities from incident powder and laser to mechanical properties for laser directed energy deposition

NASA Astrophysics Data System (ADS)

Shin, Yung C.; Bailey, Neil; Katinas, Christopher; Tan, Wenda

2018-01-01

This paper presents an overview of vertically integrated comprehensive predictive modeling capabilities for directed energy deposition processes, which have been developed at Purdue University. The overall predictive models consist of vertically integrated several modules, including powder flow model, molten pool model, microstructure prediction model and residual stress model, which can be used for predicting mechanical properties of additively manufactured parts by directed energy deposition processes with blown powder as well as other additive manufacturing processes. Critical governing equations of each model and how various modules are connected are illustrated. Various illustrative results along with corresponding experimental validation results are presented to illustrate the capabilities and fidelity of the models. The good correlations with experimental results prove the integrated models can be used to design the metal additive manufacturing processes and predict the resultant microstructure and mechanical properties.

Onset of Curved Dendrite Growth in an Al-Cu Welding Pool: A Phase Field Study

NASA Astrophysics Data System (ADS)

Wang, Lei; Wei, Yanhong

2018-02-01

A phase field model is developed to predict curved dendrite growth in the gas tungsten arc (GTA) welding pool of an Al-Cu alloy. The equations of temperature gradient, pulling velocity and dendrite growth orientation are proposed to consider the transient solidification process during welding. Solidification microstructures and solute diffusion along the fusion boundary in the welding pool are predicted by using the phase field model coupled with transient solidification conditions. Predicted primary dendrites are curved and point toward the welding direction. Welding experiments are carried out to observe solidification microstructures of the weld. Comparisons of simulation results with experimental measurements are conducted. Predicted dendritic morphology, dendrite growth orientation, primary dendrite arm spacing and initial cell spacing give a good agreement with experimental measurements.

Investigation into the role of primer, pre-treatments and coating microstructure in preventing cut edge corrosion of organically coated steels

NASA Astrophysics Data System (ADS)

Khan, Khalil

Investigations were carried out to assess the role of primer, pretreatments and coating microstructure in preventing cutedge corrosion of chrome free organically coated steels. Zinc runoff was monitored from a range of organically coated steels with a large cutedge length exposed over 18 months at Swansea University roof top site. The zinc in the runoff leaches from the zinc-aluminium alloy coating of the substrate. The paint systems' corrosion performance was assessed by monitoring the levels of zinc in the runoff. Consequently the levels of zinc reflected the effectiveness of the applied paint system against corrosion. Runoff was high in initial months with zinc levels reducing with time due to the build up of corrosion products that hindered the progress of corrosion. An accelerated laboratory test using a distilled water electrolyte was developed that predict long-term external weathering runoff from panels of a range of organically coated steels. The corrosion mechanisms of a variety of organically coated Galvalloy steel have been examined using the scanning vibrating electrode technique (SVET) in 0.1%NaCI. The corrosion behaviour of a coating is related to the zinc-aluminium alloy coating structure and combination of pretreatment and primer. The SVET has been used to assess total zinc loss and the corrosion rate for a comparative measure of organically coating system performance. A correlation has been developed from SVET 24hour experiment data to accelerated weathering data and external weather data that can aid more accurately predicting the in service life of the product. Also considered were the effects of electrolyte conductivity on the morphology of corrosion on pure zinc. A mathematical model has been developed to predict corrosion pit population. Altered microstructure of solidifying zinc aluminium alloy melt via ultrasonication was investigated. Ultrasound irradiation significantly altered the final microstructure. The influence of morphed microstructure upon the corrosion behaviour was explored using the SVET in 0.1%NaCI. The ultrasound manipulated microstructure had generally a positive effect on the corrosion behaviour.

Numerical Study of Microstructural Evolution During Homogenization of Al-Si-Mg-Fe-Mn Alloys

NASA Astrophysics Data System (ADS)

Priya, Pikee; Johnson, David R.; Krane, Matthew J. M.

2016-09-01

Microstructural evolution during homogenization of Al-Si-Mg-Fe-Mn alloys occurs in two stages at different length scales: while holding at the homogenization temperature (diffusion on the scale of the secondary dendrite arm spacing (SDAS) in micrometers) and during quenching to room temperature (dispersoid precipitation at the nanometer to submicron scale). Here a numerical study estimates microstructural changes during both stages. A diffusion-based model developed to simulate evolution at the SDAS length scale predicts homogenization times and microstructures matching experiments. That model is coupled with a Kampmann Wagner Neumann-based precipitate nucleation and growth model to study the effect of temperature, composition, as-cast microstructure, and cooling rates during posthomogenization quenching on microstructural evolution. A homogenization schedule of 853 K (580 °C) for 8 hours, followed by cooling at 250 K/h, is suggested to optimize microstructures for easier extrusion, consisting of minimal α-Al(FeMn)Si, no β-AlFeSi, and Mg2Si dispersoids <1 μm size.

Modelling of deformation and recrystallisation microstructures in rocks and ice

NASA Astrophysics Data System (ADS)

Bons, Paul D.; Evans, Lynn A.; Gomez-Rivas, Enrique; Griera, Albert; Jessell, Mark W.; Lebensohn, Ricardo; Llorens, Maria-Gema; Peternell, Mark; Piazolo, Sandra; Weikusat, Ilka; Wilson, Chris J. L.

2015-04-01

Microstructures both record the deformation history of a rock and strongly control its mechanical properties. As microstructures in natural rocks only show the final "post-mortem" state, geologists have attempted to simulate the development of microstructures with experiments and later numerical models. Especially in-situ experiments have given enormous insight, as time-lapse movies could reveal the full history of a microstructure. Numerical modelling is an alternative approach to simulate and follow the change in microstructure with time, unconstrained by experimental limitations. Numerical models have been applied to a range of microstructural processes, such as grain growth, dynamic recrystallisation, porphyroblast rotation, vein growth, formation of mylonitic fabrics, etc. The numerical platform "Elle" (www.elle.ws) in particular has brought progress in the simulation of microstructural development as it is specifically designed to include the competition between simultaneously operating processes. Three developments significantly improve our capability to simulate microstructural evolution: (1) model input from the mapping of crystallographic orientation with EBSD or the automatic fabric analyser, (2) measurement of grain size and crystallographic preferred orientation evolution using neutron diffraction experiments and (3) the implementation of the full-field Fast Fourier Transform (FFT) solver for modelling anisotropic crystal-plastic deformation. The latter enables the detailed modelling of stress and strain as a function of local crystallographic orientation, which has a strong effect on strain localisation such as, for example, the formation of shear bands. These models can now be compared with the temporal evolution of crystallographic orientation distributions in in-situ experiments. In the last decade, the possibility to combine experiments with numerical simulations has allowed not only verification and refinement of the numerical simulation technique but also increased significantly the ability to predict and/or interpret natural microstructures. This contribution will present the most recent developments in in-situ and numerical modelling of deformation and recrystallisation microstructures in rocks and in ice.

Predictive Capabilities of Multiphysics and Multiscale Models in Modeling Solidification of Steel Ingots and DC Casting of Aluminum

NASA Astrophysics Data System (ADS)

Combeau, Hervé; Založnik, Miha; Bedel, Marie

2016-08-01

Prediction of solidification defects, such as macrosegregation and inhomogeneous microstructures, constitutes a key issue for industry. The development of models of casting processes needs to account for several imbricated length scales and different physical phenomena. For example, the kinetics of the growth of microstructures needs to be coupled with the multiphase flow at the process scale. We introduce such a state-of-the-art model and outline its principles. We present the most recent applications of the model to casting of a heavy steel ingot and to direct chill casting of a large Al alloy sheet ingot. Their ability to help in the understanding of complex phenomena, such as the competition between nucleation and growth of grains in the presence of convection of the liquid and of grain motion is shown, and its predictive capabilities are discussed. Key issues for future developments and research are addressed.

Predictive characterization of aging and degradation of reactor materials in extreme environments. Final report, December 20, 2013 - September 20, 2017

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qu, Jianmin

Understanding of reactor material behavior in extreme environments is vital not only to the development of new materials for the next generation nuclear reactors, but also to the extension of the operating lifetimes of the current fleet of nuclear reactors. To this end, this project conducted a suite of unique experimental techniques, augmented by a mesoscale computational framework, to understand and predict the long-term effects of irradiation, temperature, and stress on material microstructures and their macroscopic behavior. The experimental techniques and computational tools were demonstrated on two distinctive types of reactor materials, namely, Zr alloys and high-Cr martensitic steels. Thesemore » materials are chosen as the test beds because they are the archetypes of high-performance reactor materials (cladding, wrappers, ducts, pressure vessel, piping, etc.). To fill the knowledge gaps, and to meet the technology needs, a suite of innovative in situ transmission electron microscopy (TEM) characterization techniques (heating, heavy ion irradiation, He implantation, quantitative small-scale mechanical testing, and various combinations thereof) were developed and used to elucidate and map the fundamental mechanisms of microstructure evolution in both Zr and Cr alloys for a wide range environmental boundary conditions in the thermal-mechanical-irradiation input space. Knowledge gained from the experimental observations of the active mechanisms and the role of local microstructural defects on the response of the material has been incorporated into a mathematically rigorous and comprehensive three-dimensional mesoscale framework capable of accounting for the compositional variation, microstructural evolution and localized deformation (radiation damage) to predict aging and degradation of key reactor materials operating in extreme environments. Predictions from this mesoscale framework were compared with the in situ TEM observations to validate the model.« less

A Constitutive Relationship between Fatigue Limit and Microstructure in Nanostructured Bainitic Steels

PubMed Central

Mueller, Inga; Rementeria, Rosalia; Caballero, Francisca G.; Kuntz, Matthias; Sourmail, Thomas; Kerscher, Eberhard

2016-01-01

The recently developed nanobainitic steels show high strength as well as high ductility. Although this combination seems to be promising for fatigue design, fatigue properties of nanostructured bainitic steels are often surprisingly low. To improve the fatigue behavior, an understanding of the correlation between the nanobainitic microstructure and the fatigue limit is fundamental. Therefore, our hypothesis to predict the fatigue limit was that the main function of the microstructure is not necessarily totally avoiding the initiation of a fatigue crack, but the microstructure has to increase the ability to decelerate or to stop a growing fatigue crack. Thus, the key to understanding the fatigue behavior of nanostructured bainite is to understand the role of the microstructural features that could act as barriers for growing fatigue cracks. To prove this hypothesis, we carried out fatigue tests, crack growth experiments, and correlated these results to the size of microstructural features gained from microstructural analysis by light optical microscope and EBSD-measurements. Finally, we were able to identify microstructural features that influence the fatigue crack growth and the fatigue limit of nanostructured bainitic steels. PMID:28773953

Mesoscale modeling of solute precipitation and radiation damage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yongfeng; Schwen, Daniel; Ke, Huibin

2015-09-01

This report summarizes the low length scale effort during FY 2014 in developing mesoscale capabilities for microstructure evolution in reactor pressure vessels. During operation, reactor pressure vessels are subject to hardening and embrittlement caused by irradiation-induced defect accumulation and irradiation-enhanced solute precipitation. Both defect production and solute precipitation start from the atomic scale, and manifest their eventual effects as degradation in engineering-scale properties. To predict the property degradation, multiscale modeling and simulation are needed to deal with the microstructure evolution, and to link the microstructure feature to material properties. In this report, the development of mesoscale capabilities for defect accumulationmore » and solute precipitation are summarized. Atomic-scale efforts that supply information for the mesoscale capabilities are also included.« less

Predicting the morphologies of γ' precipitates in cobalt-based superalloys

DOE PAGES

Jokisaari, Andrea M.; Naghavi, S. S.; Wolverton, C.; ...

2017-09-06

Cobalt-based alloys with γ/γ' microstructures have the potential to become the next generation of superalloys, but alloy compositions and processing steps must be optimized to improve coarsening, creep, and rafting behavior. While these behaviors are different than in nickel-based superalloys, alloy development can be accelerated by understanding the thermodynamic factors influencing microstructure evolution. In this work, we develop a phase field model informed by first-principles density functional theory and experimental data to predict the equilibrium shapes of Co-Al-W γ' precipitates. Three-dimensional simulations of single and multiple precipitates are performed to understand the effect of elastic and interfacial energy on coarsenedmore » and rafted microstructures; the elastic energy is dependent on the elastic stiffnesses, misfit strain, precipitate size, applied stress, and precipitate spatial distribution. We observe characteristic microstructures dependent on the type of applied stress that have the same γ' morphology and orientation seen in experiments, indicating that the elastic stresses arising from coherent γ/γ' interfaces are important for morphological evolution during creep. Here, the results also indicate that the narrow γ channels between γ' precipitates are energetically favored, and provide an explanation for the experimentally observed directional coarsening that occurs without any applied stress.« less

Mechanistic materials modeling for nuclear fuel performance

DOE PAGES

Tonks, Michael R.; Andersson, David; Phillpot, Simon R.; ...

2017-03-15

Fuel performance codes are critical tools for the design, certification, and safety analysis of nuclear reactors. However, their ability to predict fuel behavior under abnormal conditions is severely limited by their considerable reliance on empirical materials models correlated to burn-up (a measure of the number of fission events that have occurred, but not a unique measure of the history of the material). In this paper, we propose a different paradigm for fuel performance codes to employ mechanistic materials models that are based on the current state of the evolving microstructure rather than burn-up. In this approach, a series of statemore » variables are stored at material points and define the current state of the microstructure. The evolution of these state variables is defined by mechanistic models that are functions of fuel conditions and other state variables. The material properties of the fuel and cladding are determined from microstructure/property relationships that are functions of the state variables and the current fuel conditions. Multiscale modeling and simulation is being used in conjunction with experimental data to inform the development of these models. Finally, this mechanistic, microstructure-based approach has the potential to provide a more predictive fuel performance capability, but will require a team of researchers to complete the required development and to validate the approach.« less

Lower Length Scale Model Development for Embrittlement of Reactor Presure Vessel Steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yongfeng; Schwen, Daniel; Chakraborty, Pritam

2016-09-01

This report summarizes the lower-length-scale effort during FY 2016 in developing mesoscale capabilities for microstructure evolution, plasticity and fracture in reactor pressure vessel steels. During operation, reactor pressure vessels are subject to hardening and embrittlement caused by irradiation induced defect accumulation and irradiation enhanced solute precipitation. Both defect production and solute precipitation start from the atomic scale, and manifest their eventual effects as degradation in engineering scale properties. To predict the property degradation, multiscale modeling and simulation are needed to deal with the microstructure evolution, and to link the microstructure feature to material properties. In this report, the development ofmore » mesoscale capabilities for defect accumulation and solute precipitation are summarized. A crystal plasticity model to capture defect-dislocation interaction and a damage model for cleavage micro-crack propagation is also provided.« less

Transformation of BCC and B2 High Temperature Phases to HCP and Orthorhombic Structures in the Ti-Al-Nb System. Part I: Microstructural Predictions Based on a Subgroup Relation Between Phases

PubMed Central

Bendersky, L. A.; Roytburd, A.; Boettinger, W. J.

1993-01-01

Possible paths for the constant composition coherent transformation of BCC or B2 high temperature phases to low temperature HCP or Orthorhombic phases in the Ti-Al-Nb system are analyzed using a sequence of ciystallographic structural relationships developed from subgroup symmetry relations. Symmetry elements lost in each step of the sequence determine the possibilities for variants of the low symmetry phase and domains that can be present in the microstructure. The orientation of interdomain interfaces is determined by requiring the existence of a strain-free interface between the domains. Polydomain structures are also determined that minimize elastic energy. Microstructural predictions are made for comparison to experimental results given by Benderslcy and Boettinger [J. Res. Natl. Inst. Stand. Technol. 98, 585 (1993)]. PMID:28053487

Predicting grid-size-dependent fracture strains of DP980 with a microstructure-based post-necking model

DOE PAGES

Cheng, G.; Hu, X. H.; Choi, K. S.; ...

2017-07-08

Ductile fracture is a local phenomenon, and it is well established that fracture strain levels depend on both stress triaxiality and the resolution (grid size) of strain measurements. Two-dimensional plane strain post-necking models with different model sizes are used in this paper to predict the grid-size-dependent fracture strain of a commercial dual-phase steel, DP980. The models are generated from the actual microstructures, and the individual phase flow properties and literature-based individual phase damage parameters for the Johnson–Cook model are used for ferrite and martensite. A monotonic relationship is predicted: the smaller the model size, the higher the fracture strain. Thus,more » a general framework is developed to quantify the grid-size-dependent fracture strains for multiphase materials. In addition to the grid-size dependency, the influences of intrinsic microstructure features, i.e., the flow curve and fracture strains of the two constituent phases, on the predicted fracture strains also are examined. Finally, application of the derived fracture strain versus model size relationship is demonstrated with large clearance trimming simulations with different element sizes.« less

Predicting grid-size-dependent fracture strains of DP980 with a microstructure-based post-necking model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, G.; Hu, X. H.; Choi, K. S.

Ductile fracture is a local phenomenon, and it is well established that fracture strain levels depend on both stress triaxiality and the resolution (grid size) of strain measurements. Two-dimensional plane strain post-necking models with different model sizes are used in this paper to predict the grid-size-dependent fracture strain of a commercial dual-phase steel, DP980. The models are generated from the actual microstructures, and the individual phase flow properties and literature-based individual phase damage parameters for the Johnson–Cook model are used for ferrite and martensite. A monotonic relationship is predicted: the smaller the model size, the higher the fracture strain. Thus,more » a general framework is developed to quantify the grid-size-dependent fracture strains for multiphase materials. In addition to the grid-size dependency, the influences of intrinsic microstructure features, i.e., the flow curve and fracture strains of the two constituent phases, on the predicted fracture strains also are examined. Finally, application of the derived fracture strain versus model size relationship is demonstrated with large clearance trimming simulations with different element sizes.« less

Modeling Percolation in Polymer Nanocomposites by Stochastic Microstructuring

PubMed Central

Soto, Matias; Esteva, Milton; Martínez-Romero, Oscar; Baez, Jesús; Elías-Zúñiga, Alex

2015-01-01

A methodology was developed for the prediction of the electrical properties of carbon nanotube-polymer nanocomposites via Monte Carlo computational simulations. A two-dimensional microstructure that takes into account waviness, fiber length and diameter distributions is used as a representative volume element. Fiber interactions in the microstructure are identified and then modeled as an equivalent electrical circuit, assuming one-third metallic and two-thirds semiconductor nanotubes. Tunneling paths in the microstructure are also modeled as electrical resistors, and crossing fibers are accounted for by assuming a contact resistance associated with them. The equivalent resistor network is then converted into a set of linear equations using nodal voltage analysis, which is then solved by means of the Gauss–Jordan elimination method. Nodal voltages are obtained for the microstructure, from which the percolation probability, equivalent resistance and conductivity are calculated. Percolation probability curves and electrical conductivity values are compared to those found in the literature. PMID:28793594

Microstructure Engineering in Hot Strip Mills, Part 1 of 2: Integrated mathematical Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

J.K. Brimacombe; I.V. Samaraseker; E.B. Hawbolt

1998-09-30

This report describes the work of developing an integrated model used to predict the thermal history, deformation, roll forces, microstructural evaluation and mechanical properties of steel strip in a hot-strip mill. This achievement results from a join research effort that is part of the American Iron and Steel Institute's (AISI) Advanced Process Control Program, a collaboration between the U.S. DOE and fifteen North American steel makers.

A Multiscale Computational Model Combining a Single Crystal Plasticity Constitutive Model with the Generalized Method of Cells (GMC) for Metallic Polycrystals.

PubMed

Ghorbani Moghaddam, Masoud; Achuthan, Ajit; Bednarcyk, Brett A; Arnold, Steven M; Pineda, Evan J

2016-05-04

A multiscale computational model is developed for determining the elasto-plastic behavior of polycrystal metals by employing a single crystal plasticity constitutive model that can capture the microstructural scale stress field on a finite element analysis (FEA) framework. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, the stand-alone GMC is applied for studying simple material microstructures such as a repeating unit cell (RUC) containing single grain or two grains under uniaxial loading conditions. For verification, the results obtained by the stand-alone GMC are compared to those from an analogous FEA model incorporating the same single crystal plasticity constitutive model. This verification is then extended to samples containing tens to hundreds of grains. The results demonstrate that the GMC homogenization combined with the crystal plasticity constitutive framework is a promising approach for failure analysis of structures as it allows for properly predicting the von Mises stress in the entire RUC, in an average sense, as well as in the local microstructural level, i.e. , each individual grain. Two-three orders of saving in computational cost, at the expense of some accuracy in prediction, especially in the prediction of the components of local tensor field quantities and the quantities near the grain boundaries, was obtained with GMC. Finally, the capability of the developed multiscale model linking FEA and GMC to solve real-life-sized structures is demonstrated by successfully analyzing an engine disc component and determining the microstructural scale details of the field quantities.

A Multiscale Computational Model Combining a Single Crystal Plasticity Constitutive Model with the Generalized Method of Cells (GMC) for Metallic Polycrystals

PubMed Central

Ghorbani Moghaddam, Masoud; Achuthan, Ajit; Bednarcyk, Brett A.; Arnold, Steven M.; Pineda, Evan J.

2016-01-01

A multiscale computational model is developed for determining the elasto-plastic behavior of polycrystal metals by employing a single crystal plasticity constitutive model that can capture the microstructural scale stress field on a finite element analysis (FEA) framework. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, the stand-alone GMC is applied for studying simple material microstructures such as a repeating unit cell (RUC) containing single grain or two grains under uniaxial loading conditions. For verification, the results obtained by the stand-alone GMC are compared to those from an analogous FEA model incorporating the same single crystal plasticity constitutive model. This verification is then extended to samples containing tens to hundreds of grains. The results demonstrate that the GMC homogenization combined with the crystal plasticity constitutive framework is a promising approach for failure analysis of structures as it allows for properly predicting the von Mises stress in the entire RUC, in an average sense, as well as in the local microstructural level, i.e., each individual grain. Two–three orders of saving in computational cost, at the expense of some accuracy in prediction, especially in the prediction of the components of local tensor field quantities and the quantities near the grain boundaries, was obtained with GMC. Finally, the capability of the developed multiscale model linking FEA and GMC to solve real-life-sized structures is demonstrated by successfully analyzing an engine disc component and determining the microstructural scale details of the field quantities. PMID:28773458

Microstructure Evolution and Flow Stress Model of a 20Mn5 Hollow Steel Ingot during Hot Compression.

PubMed

Liu, Min; Ma, Qing-Xian; Luo, Jian-Bin

2018-03-21

20Mn5 steel is widely used in the manufacture of heavy hydro-generator shaft due to its good performance of strength, toughness and wear resistance. However, the hot deformation and recrystallization behaviors of 20Mn5 steel compressed under high temperature were not studied. In this study, the hot compression experiments under temperatures of 850-1200 °C and strain rates of 0.01/s-1/s are conducted using Gleeble thermal and mechanical simulation machine. And the flow stress curves and microstructure after hot compression are obtained. Effects of temperature and strain rate on microstructure are analyzed. Based on the classical stress-dislocation relation and the kinetics of dynamic recrystallization, a two-stage constitutive model is developed to predict the flow stress of 20Mn5 steel. Comparisons between experimental flow stress and predicted flow stress show that the predicted flow stress values are in good agreement with the experimental flow stress values, which indicates that the proposed constitutive model is reliable and can be used for numerical simulation of hot forging of 20Mn5 hollow steel ingot.

The Impact of Sex, Puberty, and Hormones on White Matter Microstructure in Adolescents

PubMed Central

Herting, Megan M.; Maxwell, Emily C.; Irvine, Christy

2012-01-01

Background: During adolescence, numerous factors influence the organization of the brain. It is unclear what influence sex and puberty have on white matter microstructure, as well as the role that rapidly increasing sex steroids play. Methods: White matter microstructure was examined in 77 adolescents (ages 10–16) using diffusion tensor imaging. Multiple regression analyses were performed to examine the relationships between fractional anisotropy (FA) and mean diffusivity (MD) and sex, puberty, and their interaction, controlling for age. Follow-up analyses determined if sex steroids predicted microstructural characteristics in sexually dimorphic and pubertal-related white matter regions, as well as in whole brain. Results: Boys had higher FA in white matter carrying corticospinal, long-range association, and cortico-subcortical fibers, and lower MD in frontal and temporal white matter compared with girls. Pubertal development was related to higher FA in the insula, while a significant sex-by-puberty interaction was seen in superior frontal white matter. In boys, testosterone predicted white matter integrity in sexually dimorphic regions as well as whole brain FA, whereas estradiol showed a negative relationship with FA in girls. Conclusions: Sex differences and puberty uniquely relate to white matter microstructure in adolescents, which can partially be explained by sex steroids. PMID:22002939

Confocal arthroscopy-based patient-specific constitutive models of cartilaginous tissues - II: prediction of reaction force history of meniscal cartilage specimens.

PubMed

Taylor, Zeike A; Kirk, Thomas B; Miller, Karol

2007-10-01

The theoretical framework developed in a companion paper (Part I) is used to derive estimates of mechanical response of two meniscal cartilage specimens. The previously developed framework consisted of a constitutive model capable of incorporating confocal image-derived tissue microstructural data. In the present paper (Part II) fibre and matrix constitutive parameters are first estimated from mechanical testing of a batch of specimens similar to, but independent from those under consideration. Image analysis techniques which allow estimation of tissue microstructural parameters form confocal images are presented. The constitutive model and image-derived structural parameters are then used to predict the reaction force history of the two meniscal specimens subjected to partially confined compression. The predictions are made on the basis of the specimens' individual structural condition as assessed by confocal microscopy and involve no tuning of material parameters. Although the model does not reproduce all features of the experimental curves, as an unfitted estimate of mechanical response the prediction is quite accurate. In light of the obtained results it is judged that more general non-invasive estimation of tissue mechanical properties is possible using the developed framework.

Modeling Long-term Creep Performance for Welded Nickel-base Superalloy Structures for Power Generation Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Chen; Gupta, Vipul; Huang, Shenyan

The goal of this project is to model long-term creep performance for nickel-base superalloy weldments in high temperature power generation systems. The project uses physics-based modeling methodologies and algorithms for predicting alloy properties in heterogeneous material structures. The modeling methodology will be demonstrated on a gas turbine combustor liner weldment of Haynes 282 precipitate-strengthened nickel-base superalloy. The major developments are: (1) microstructure-property relationships under creep conditions and microstructure characterization (2) modeling inhomogeneous microstructure in superalloy weld (3) modeling mesoscale plastic deformation in superalloy weld and (4) a constitutive creep model that accounts for weld and base metal microstructure and theirmore » long term evolution. The developed modeling technology is aimed to provide a more efficient and accurate assessment of a material’s long-term performance compared with current testing and extrapolation methods. This modeling technology will also accelerate development and qualification of new materials in advanced power generation systems. This document is a final technical report for the project, covering efforts conducted from October 2014 to December 2016.« less

NEAMS SOFTWARE V&V PLAN FOR THE MARMOT SOFTWARE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael R Tonks

2014-03-01

In order to ensure the accuracy and quality of the microstructure based materials models being developed in conjunction with MARMOT simulations, MARMOT must undergo exhaustive verification and validation. Only after this process can we confidently rely on the MARMOT code to predict the microstructure evolution within the fuel. Therefore, in this report we lay out a V&V plan for the MARMOT code, highlighting where existing data could be used and where new data is required.

Crystal plasticity assisted prediction on the yield locus evolution and forming limit curves

NASA Astrophysics Data System (ADS)

Lian, Junhe; Liu, Wenqi; Shen, Fuhui; Münstermann, Sebastian

2017-10-01

The aim of this study is to predict the plastic anisotropy evolution and its associated forming limit curves of bcc steels purely based on their microstructural features by establishing an integrated multiscale modelling approach. Crystal plasticity models are employed to describe the micro deformation mechanism and correlate the microstructure with mechanical behaviour on micro and mesoscale. Virtual laboratory is performed considering the statistical information of the microstructure, which serves as the input for the phenomenological plasticity model on the macroscale. For both scales, the microstructure evolution induced evolving features, such as the anisotropic hardening, r-value and yield locus evolution are seamlessly integrated. The predicted plasticity behaviour by the numerical simulations are compared with experiments. These evolutionary features of the material deformation behaviour are eventually considered for the prediction of formability.

A preliminary ferritic-martensitic stainless steel constitution diagram

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balmforth, M.C.; Lippold, J.C.

1998-01-01

This paper describes preliminary research to develop a constitution diagram that will more accurately predict the microstructure of ferritic and martensitic stainless steel weld deposits. A button melting technique was used to produce a wide range of compositions using mixtures of conventional ferritic and martensitic stainless steels, including types 403, 409, 410, 430, 439 and 444. These samples were prepared metallographically, and the vol-% ferrite and martensite was determined quantitatively. In addition, the hardness and ferrite number (FN) were measured. Using this data, a preliminary constitution diagram is proposed that provides a more accurate method for predicting the microstructures ofmore » arc welds in ferritic and martensitic stainless steels.« less

Load-adaptive bone remodeling simulations reveal osteoporotic microstructural and mechanical changes in whole human vertebrae.

PubMed

Badilatti, Sandro D; Christen, Patrik; Parkinson, Ian; Müller, Ralph

2016-12-08

Osteoporosis is a major medical burden and its impact is expected to increase in our aging society. It is associated with low bone density and microstructural deterioration. Treatments are available, but the critical factor is to define individuals at risk from osteoporotic fractures. Computational simulations investigating not only changes in net bone tissue volume, but also changes in its microstructure where osteoporotic deterioration occur might help to better predict the risk of fractures. In this study, bone remodeling simulations with a mechanical feedback loop were used to predict microstructural changes due to osteoporosis and their impact on bone fragility from 50 to 80 years of age. Starting from homeostatic bone remodeling of a group of seven, mixed sex whole vertebrae, five mechanostat models mimicking different biological alterations associated with osteoporosis were developed, leading to imbalanced bone formation and resorption with a total net loss of bone tissue. A model with reduced bone formation rate and cell sensitivity led to the best match of morphometric indices compared to literature data and was chosen to predict postmenopausal osteoporotic bone loss in the whole group. Thirty years of osteoporotic bone loss were predicted with changes in morphometric indices in agreement with experimental measurements, and only showing major deviations in trabecular number and trabecular separation. In particular, although being optimized to match to the morphometric indices alone, the predicted bone loss revealed realistic changes on the organ level and on biomechanical competence. While the osteoporotic bone was able to maintain the mechanical stability to a great extent, higher fragility towards error loads was found for the osteoporotic bones. Copyright © 2016 Elsevier Ltd. All rights reserved.

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang; Sun, Xin

Here, complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the phase field method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiatedmore » nuclear materials are reviewed. The review shows that (1) Phase field models can correctly describe important phenomena such as spatial-dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; (2) The phase field method can qualitatively and quantitatively simulate two-dimensional and three-dimensional microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and (3) The Phase field method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the phase field method, as applied to irradiation effects in nuclear materials.« less

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang; Sun, Xin

Complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field (PF) method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the PF method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiated nuclearmore » materials are reviewed. The review shows that 1) FP models can correctly describe important phenomena such as spatial dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; 2) The PF method can qualitatively and quantitatively simulate 2-D and 3-D microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and 3) The FP method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the PF method, as applied to irradiation effects in nuclear materials.« less

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

DOE PAGES

Li, Yulan; Hu, Shenyang; Sun, Xin; ...

2017-04-14

Here, complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the phase field method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiatedmore » nuclear materials are reviewed. The review shows that (1) Phase field models can correctly describe important phenomena such as spatial-dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; (2) The phase field method can qualitatively and quantitatively simulate two-dimensional and three-dimensional microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and (3) The Phase field method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the phase field method, as applied to irradiation effects in nuclear materials.« less

AISI/DOE Advanced Process Control Program Vol. 3 of 6 Microstructure Engineering in Hot Strip Mills, Part 1 of 2: Integrated Mathematical Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

J.K. Brimacombe; I.V. Samarasekera; E.B. Hawbolt

1999-07-31

This report describes the work of developing an integrated model used to predict the thermal history, deformation, roll forces, microstructural evolution and mechanical properties of steel strip in a hot-strip mill. This achievement results from a joint research effort that is part of the American Iron and Steel Institute's (AIS) Advanced Process Control Program, a collaboration between the U.S. DOE and fifteen North American Steelmakers.

Modeling the Effects of Coolant Application in Friction Stir Processing on Material Microstructure Using 3D CFD Analysis

NASA Astrophysics Data System (ADS)

Aljoaba, Sharif; Dillon, Oscar; Khraisheh, Marwan; Jawahir, I. S.

2012-07-01

The ability to generate nano-sized grains is one of the advantages of friction stir processing (FSP). However, the high temperatures generated during the stirring process within the processing zone stimulate the grains to grow after recrystallization. Therefore, maintaining the small grains becomes a critical issue when using FSP. In the present reports, coolants are applied to the fixture and/or processed material in order to reduce the temperature and hence, grain growth. Most of the reported data in the literature concerning cooling techniques are experimental. We have seen no reports that attempt to predict these quantities when using coolants while the material is undergoing FSP. Therefore, there is need to develop a model that predicts the resulting grain size when using coolants, which is an important step toward designing the material microstructure. In this study, two three-dimensional computational fluid dynamics (CFD) models are reported which simulate FSP with and without coolant application while using the STAR CCM+ CFD commercial software. In the model with the coolant application, the fixture (backing plate) is modeled while is not in the other model. User-defined subroutines were incorporated in the software and implemented to investigate the effects of changing process parameters on temperature, strain rate and material velocity fields in, and around, the processed nugget. In addition, a correlation between these parameters and the Zener-Holloman parameter used in material science was developed to predict the grain size distribution. Different stirring conditions were incorporated in this study to investigate their effects on material flow and microstructural modification. A comparison of the results obtained by using each of the models on the processed microstructure is also presented for the case of Mg AZ31B-O alloy. The predicted results are also compared with the available experimental data and generally show good agreement.

Thermal Modeling of Resistance Spot Welding and Prediction of Weld Microstructure

NASA Astrophysics Data System (ADS)

Sheikhi, M.; Valaee Tale, M.; Usefifar, GH. R.; Fattah-Alhosseini, Arash

2017-11-01

The microstructure of nuggets in resistance spot welding can be influenced by the many variables involved. This study aimed at examining such a relationship and, consequently, put forward an analytical model to predict the thermal history and microstructure of the nugget zone. Accordingly, a number of numerical simulations and experiments were conducted and the accuracy of the model was assessed. The results of this assessment revealed that the proposed analytical model could accurately predict the cooling rate in the nugget and heat-affected zones. Moreover, both analytical and numerical models confirmed that sheet thickness and electrode-sheet interface temperature were the most important factors influencing the cooling rate at temperatures lower than about T l/2. Decomposition of austenite is one of the most important transformations in steels occurring over this temperature range. Therefore, an easy-to-use map was designed against these parameters to predict the weld microstructure.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ye Jia; Lawrence Berkeley Laboratory, Berkeley, California 94720-8250; Li Youhong

Theoretical predictions indicate that ordered alloys can spontaneously develop a steady-state nanoscale microstructure when irradiated with energetic particles. This behavior derives from a dynamical competition between disordering in cascades and thermally activated reordering, which leads to self-organization of the chemical order parameter. We test this possibility by combining molecular dynamics (MD) and kinetic Monte Carlo (KMC) simulations. We first generate realistic distributions of disordered zones for Ni{sub 3}Al irradiated with 70 keV He and 1 MeV Kr ions using MD and then input this data into KMC to obtain predictions of steady state microstructures as a function of the irradiationmore » flux. Nanoscale patterning is observed for Kr ion irradiations but not for He ion irradiations. We illustrate, moreover, using image simulations of these KMC microstructures, that high-resolution transmission electron microscopy can be employed to identify nanoscale patterning. Finally, we indicate how this method could be used to synthesize functional thin films, with potential for magnetic applications.« less

Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

O’Brien, C. J.; Barr, C. M.; Price, P. M.

There has recently been a great deal of interest in employing immiscible solutes to stabilize nanocrystalline microstructures. Existing modeling efforts largely rely on mesoscale Monte Carlo approaches that employ a simplified model of the microstructure and result in highly homogeneous segregation to grain boundaries. However, there is ample evidence from experimental and modeling studies that demonstrates segregation to grain boundaries is highly non-uniform and sensitive to boundary character. This work employs a realistic nanocrystalline microstructure with experimentally relevant global solute concentrations to illustrate inhomogeneous boundary segregation. Furthermore, experiments quantifying segregation in thin films are reported that corroborate the prediction thatmore » grain boundary segregation is highly inhomogeneous. In addition to grain boundary structure modifying the degree of segregation, the existence of a phase transformation between low and high solute content grain boundaries is predicted. In order to conduct this study, new embedded atom method interatomic potentials are developed for Pt, Au, and the PtAu binary alloy.« less

Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals

DOE PAGES

O’Brien, C. J.; Barr, C. M.; Price, P. M.; ...

2017-10-31

There has recently been a great deal of interest in employing immiscible solutes to stabilize nanocrystalline microstructures. Existing modeling efforts largely rely on mesoscale Monte Carlo approaches that employ a simplified model of the microstructure and result in highly homogeneous segregation to grain boundaries. However, there is ample evidence from experimental and modeling studies that demonstrates segregation to grain boundaries is highly non-uniform and sensitive to boundary character. This work employs a realistic nanocrystalline microstructure with experimentally relevant global solute concentrations to illustrate inhomogeneous boundary segregation. Furthermore, experiments quantifying segregation in thin films are reported that corroborate the prediction thatmore » grain boundary segregation is highly inhomogeneous. In addition to grain boundary structure modifying the degree of segregation, the existence of a phase transformation between low and high solute content grain boundaries is predicted. In order to conduct this study, new embedded atom method interatomic potentials are developed for Pt, Au, and the PtAu binary alloy.« less

Numerical simulation of the solidification microstructure of a 17-4PH stainless steel investment casting and its experimental verification

NASA Astrophysics Data System (ADS)

Li, You Yun; Tsai, DeChang; Hwang, Weng Sing

2008-06-01

The purpose of this study is to develop a technique of numerically simulating the microstructure of 17-4PH (precipitation hardening) stainless steel during investment casting. A cellular automation (CA) algorithm was adopted to simulate the nucleation and grain growth. First a calibration casting was made, and then by comparing the microstructures of the calibration casting with those simulated using different kinetic growth coefficients (a2, a3) in CA, the most appropriate set of values for a2 and a3 would be obtained. Then, this set of values was applied to the microstructure simulation of a separate casting, where the casting was actually made. Through this approach, this study has arrived at a set of growth kinetic coefficients from the calibration casting: a2 is 2.9 × 10-5, a3 is 1.49 × 10-7, which is then used to predict the microstructure of the other test casting. Consequently, a good correlation has been found between the microstructure of actual 17-4PH casting and the simulation result.

Effects of N/C Ratio on Solidification Behaviors of Novel Nb-Bearing Austenitic Heat-Resistant Cast Steels for Exhaust Components of Gasoline Engines

NASA Astrophysics Data System (ADS)

Zhang, Yinhui; Li, Mei; Godlewski, Larry A.; Zindel, Jacob W.; Feng, Qiang

2017-03-01

In order to comply with more stringent environmental and fuel consumption regulations, novel Nb-bearing austenitic heat-resistant cast steels that withstand exhaust temperatures as high as 1,323 K (1,050 °C) is urgently demanded from automotive industries. In the current research, the solidification behavior of these alloys with variations of N/C ratio is investigated. Directional solidification methods were carried out to examine the microstructural development in mushy zones. Computational thermodynamic calculations under partial equilibrium conditions were performed to predict the solidification sequence of different phases. Microstructural characterization of the mushy zones indicates that N/C ratio significantly influenced the stability of γ-austenite and the precipitation temperature of NbC/Nb(C,N), thereby altering the solidification path, as well as the morphology and distribution of NbC/Nb(C,N) and γ-ferrite. The solidification sequence of different phases predicted by thermodynamic software agreed well with the experimental results, except the specific precipitation temperatures. The generated data and fundamental understanding will be helpful for the application of computational thermodynamic methods to predict the as-cast microstructure of Nb-bearing austenitic heat-resistant steels.

Microstructure Evolution and Flow Stress Model of a 20Mn5 Hollow Steel Ingot during Hot Compression

PubMed Central

Liu, Min; Ma, Qing-Xian; Luo, Jian-Bin

2018-01-01

20Mn5 steel is widely used in the manufacture of heavy hydro-generator shaft due to its good performance of strength, toughness and wear resistance. However, the hot deformation and recrystallization behaviors of 20Mn5 steel compressed under high temperature were not studied. In this study, the hot compression experiments under temperatures of 850–1200 °C and strain rates of 0.01/s–1/s are conducted using Gleeble thermal and mechanical simulation machine. And the flow stress curves and microstructure after hot compression are obtained. Effects of temperature and strain rate on microstructure are analyzed. Based on the classical stress-dislocation relation and the kinetics of dynamic recrystallization, a two-stage constitutive model is developed to predict the flow stress of 20Mn5 steel. Comparisons between experimental flow stress and predicted flow stress show that the predicted flow stress values are in good agreement with the experimental flow stress values, which indicates that the proposed constitutive model is reliable and can be used for numerical simulation of hot forging of 20Mn5 hollow steel ingot. PMID:29561826

Key Factors Influencing the Energy Absorption of Dual-Phase Steels: Multiscale Material Model Approach and Microstructural Optimization

NASA Astrophysics Data System (ADS)

Belgasam, Tarek M.; Zbib, Hussein M.

2018-06-01

The increase in use of dual-phase (DP) steel grades by vehicle manufacturers to enhance crash resistance and reduce body car weight requires the development of a clear understanding of the effect of various microstructural parameters on the energy absorption in these materials. Accordingly, DP steelmakers are interested in predicting the effect of various microscopic factors as well as optimizing microstructural properties for application in crash-relevant components of vehicle bodies. This study presents a microstructure-based approach using a multiscale material and structure model. In this approach, Digimat and LS-DYNA software were coupled and employed to provide a full micro-macro multiscale material model, which is then used to simulate tensile tests. Microstructures with varied ferrite grain sizes, martensite volume fractions, and carbon content in DP steels were studied. The impact of these microstructural features at different strain rates on energy absorption characteristics of DP steels is investigated numerically using an elasto-viscoplastic constitutive model. The model is implemented in a multiscale finite-element framework. A comprehensive statistical parametric study using response surface methodology is performed to determine the optimum microstructural features for a required tensile toughness at different strain rates. The simulation results are validated using experimental data found in the literature. The developed methodology proved to be effective for investigating the influence and interaction of key microscopic properties on the energy absorption characteristics of DP steels. Furthermore, it is shown that this method can be used to identify optimum microstructural conditions at different strain-rate conditions.

Key Factors Influencing the Energy Absorption of Dual-Phase Steels: Multiscale Material Model Approach and Microstructural Optimization

NASA Astrophysics Data System (ADS)

Belgasam, Tarek M.; Zbib, Hussein M.

2018-03-01

The increase in use of dual-phase (DP) steel grades by vehicle manufacturers to enhance crash resistance and reduce body car weight requires the development of a clear understanding of the effect of various microstructural parameters on the energy absorption in these materials. Accordingly, DP steelmakers are interested in predicting the effect of various microscopic factors as well as optimizing microstructural properties for application in crash-relevant components of vehicle bodies. This study presents a microstructure-based approach using a multiscale material and structure model. In this approach, Digimat and LS-DYNA software were coupled and employed to provide a full micro-macro multiscale material model, which is then used to simulate tensile tests. Microstructures with varied ferrite grain sizes, martensite volume fractions, and carbon content in DP steels were studied. The impact of these microstructural features at different strain rates on energy absorption characteristics of DP steels is investigated numerically using an elasto-viscoplastic constitutive model. The model is implemented in a multiscale finite-element framework. A comprehensive statistical parametric study using response surface methodology is performed to determine the optimum microstructural features for a required tensile toughness at different strain rates. The simulation results are validated using experimental data found in the literature. The developed methodology proved to be effective for investigating the influence and interaction of key microscopic properties on the energy absorption characteristics of DP steels. Furthermore, it is shown that this method can be used to identify optimum microstructural conditions at different strain-rate conditions.

Compositional Effects on Nickel-Base Superalloy Single Crystal Microstructures

NASA Technical Reports Server (NTRS)

MacKay, Rebecca A.; Gabb, Timothy P.; Garg,Anita; Rogers, Richard B.; Nathal, Michael V.

2012-01-01

Fourteen nickel-base superalloy single crystals containing 0 to 5 wt% chromium (Cr), 0 to 11 wt% cobalt (Co), 6 to 12 wt% molybdenum (Mo), 0 to 4 wt% rhenium (Re), and fixed amounts of aluminum (Al) and tantalum (Ta) were examined to determine the effect of bulk composition on basic microstructural parameters, including gamma' solvus, gamma' volume fraction, volume fraction of topologically close-packed (TCP) phases, phase chemistries, and gamma - gamma'. lattice mismatch. Regression models were developed to describe the influence of bulk alloy composition on the microstructural parameters and were compared to predictions by a commercially available software tool that used computational thermodynamics. Co produced the largest change in gamma' solvus over the wide compositional range used in this study, and Mo produced the largest effect on the gamma lattice parameter and the gamma - gamma' lattice mismatch over its compositional range, although Re had a very potent influence on all microstructural parameters investigated. Changing the Cr, Co, Mo, and Re contents in the bulk alloy had a significant impact on their concentrations in the gamma matrix and, to a smaller extent, in the gamma' phase. The gamma phase chemistries exhibited strong temperature dependencies that were influenced by the gamma and gamma' volume fractions. A computational thermodynamic modeling tool significantly underpredicted gamma' solvus temperatures and grossly overpredicted the amount of TCP phase at 982 C. Furthermore, the predictions by the software tool for the gamma - gamma' lattice mismatch were typically of the wrong sign and magnitude, but predictions could be improved if TCP formation was suspended within the software program. However, the statistical regression models provided excellent estimations of the microstructural parameters based on bulk alloy composition, thereby demonstrating their usefulness.

Prediction of equibiaxial loading stress in collagen-based extracellular matrix using a three-dimensional unit cell model.

PubMed

Susilo, Monica E; Bell, Brett J; Roeder, Blayne A; Voytik-Harbin, Sherry L; Kokini, Klod; Nauman, Eric A

2013-03-01

Mechanical signals are important factors in determining cell fate. Therefore, insights as to how mechanical signals are transferred between the cell and its surrounding three-dimensional collagen fibril network will provide a basis for designing the optimum extracellular matrix (ECM) microenvironment for tissue regeneration. Previously we described a cellular solid model to predict fibril microstructure-mechanical relationships of reconstituted collagen matrices due to unidirectional loads (Acta Biomater 2010;6:1471-86). The model consisted of representative volume elements made up of an interconnected network of flexible struts. The present study extends this work by adapting the model to account for microstructural anisotropy of the collagen fibrils and a biaxial loading environment. The model was calibrated based on uniaxial tensile data and used to predict the equibiaxial tensile stress-stretch relationship. Modifications to the model significantly improved its predictive capacity for equibiaxial loading data. With a comparable fibril length (model 5.9-8μm, measured 7.5μm) and appropriate fibril anisotropy the anisotropic model provides a better representation of the collagen fibril microstructure. Such models are important tools for tissue engineering because they facilitate prediction of microstructure-mechanical relationships for collagen matrices over a wide range of microstructures and provide a framework for predicting cell-ECM interactions. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Solidification Microstructure, Segregation, and Shrinkage of Fe-Mn-C Twinning-Induced Plasticity Steel by Simulation and Experiment

NASA Astrophysics Data System (ADS)

Lan, Peng; Tang, Haiyan; Zhang, Jiaquan

2016-06-01

A 3D cellular automaton finite element model with full coupling of heat, flow, and solute transfer incorporating solidification grain nucleation and growth was developed for a multicomponent system. The predicted solidification process, shrinkage porosity, macrosegregation, grain orientation, and microstructure evolution of Fe-22Mn-0.7C twinning-induced plasticity (TWIP) steel match well with the experimental observation and measurement. Based on a new solute microsegregation model using the finite difference method, the thermophysical parameters including solid fraction, thermal conductivity, density, and enthalpy were predicted and compared with the results from thermodynamics and experiment. The effects of flow and solute transfer in the liquid phase on the solidification microstructure of Fe-22Mn-0.7C TWIP steel were compared numerically. Thermal convection decreases the temperature gradient in the liquid steel, leading to the enlargement of the equiaxed zone. Solute enrichment in front of the solid/liquid interface weakens the thermal convection, resulting in a little postponement of columnar-to-equiaxed transition (CET). The CET behavior of Fe-Mn-C TWIP steel during solidification was fully described and mathematically quantized by grain morphology statistics for the first time. A new methodology to figure out the CET location by linear regression of grain mean size with least-squares arithmetic was established, by which a composition design strategy for Fe-Mn-C TWIP steel according to solidification microstructure, matrix compactness, and homogeneity was developed.

Monitoring microstructural evolution of alloy 617 with non-linear acoustics for remaining useful life prediction; multiaxial creep-fatigue and creep-ratcheting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lissenden, Cliff; Hassan, Tasnin; Rangari, Vijaya

The research built upon a prior investigation to develop a unified constitutive model for design-­by-­analysis of the intermediate heat exchanger (IHX) for a very high temperature reactor (VHTR) design of next generation nuclear plants (NGNPs). Model development requires a set of failure data from complex mechanical experiments to characterize the material behavior. Therefore uniaxial and multiaxial creep-­fatigue and creep-­ratcheting tests were conducted on the nickel-­base Alloy 617 at 850 and 950°C. The time dependence of material behavior, and the interaction of time dependent behavior (e.g., creep) with ratcheting, which is an increase in the cyclic mean strain under load-­controlled cycling,more » are major concerns for NGNP design. This research project aimed at characterizing the microstructure evolution mechanisms activated in Alloy 617 by mechanical loading and dwell times at elevated temperature. The acoustic harmonic generation method was researched for microstructural characterization. It is a nonlinear acoustics method with excellent potential for nondestructive evaluation, and even online continuous monitoring once high temperature sensors become available. It is unique because it has the ability to quantitatively characterize microstructural features well before macroscale defects (e.g., cracks) form. The nonlinear acoustics beta parameter was shown to correlate with microstructural evolution using a systematic approach to handle the complexity of multiaxial creep-­fatigue and creep-­ratcheting deformation. Mechanical testing was conducted to provide a full spectrum of data for: thermal aging, tensile creep, uniaxial fatigue, uniaxial creep-­fatigue, uniaxial creep-ratcheting, multiaxial creep-fatigue, and multiaxial creep-­ratcheting. Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), and Optical Microscopy were conducted to correlate the beta parameter with individual microstructure mechanisms. We researched application of the harmonic generation method to tubular mechanical test specimens and pipes for nondestructive evaluation. Tubular specimens and pipes act as waveguides, thus we applied the acoustic harmonic generation method to guided waves in both plates and shells. Magnetostrictive transducers were used to generate and receive guided wave modes in the shell sample and the received signals were processed to show the sensitivity of higher harmonic generation to microstructure evolution. Modeling was initiated to correlate higher harmonic generation with the microstructure that will lead to development of a life prediction model that is informed by the nonlinear acoustics measurements.« less

Random Walk Simulation of the MRI Apparent Diffusion Coefficient in a Geometrical Model of the Acinar Tree

PubMed Central

Pérez-Sánchez, José M.; Rodríguez, Ignacio; Ruiz-Cabello, Jesús

2009-01-01

Abstract Apparent diffusion coefficient (ADC) measurement in the lung using gas magnetic resonance imaging is a promising technique with potential for reflecting changes in lung microstructure. Despite some recent impressive human applications, full interpretation of ADC measures remains an elusive goal, due to a lack of detailed knowledge about the structure dependency of ADC. In an attempt to fill this gap we have performed random walk simulations in a three-dimensional geometrical model of the lung acinus, the distal alveolated sections of the lung tree accounting for ∼90% of the total lung volume. Simulations were carried out adjusting model parameters after published morphological data for the rat peripheral airway system, which predict an ADC behavior as microstructure changes with lung inflation in partial agreement with measured ADCs at different airway pressures. The approach used to relate experimental ADCs to lung microstructural changes does not make any assumption about the cause of the changes, so it could be applied to other scenarios such as chronic obstructive pulmonary disease, lung development, etc. The work presented here predicts numerically for the first time ADC values measured in the lung from independent morphological measures of lung microstructure taken at different inflation stages during the breath cycle. PMID:19619480

Application of morphological synthesis for understanding electrode microstructure evolution as a function of applied charge/discharge cycles

DOE PAGES

Glazoff, Michael V.; Dufek, Eric J.; Shalashnikov, Egor V.

2016-09-15

Morphological analysis and synthesis operations were employed for analysis of electrode microstructure transformations and evolution accompanying the application of charge/discharge cycles to electrochemical storage systems (batteries). Using state-of-the-art morphological algorithms, it was possible to predict microstructure evolution in porous Si electrodes for Li-ion batteries with sufficient accuracy. Algorithms for image analyses (segmentation, feature extraction, and 3D-reconstructions using 2D-images) were also developed. Altogether, these techniques could be considered supplementary to phase-field mesoscopic approach to microstructure evolution that is based upon clear and definitive changes in the appearance of microstructure. However, unlike in phase-field, the governing equations for morphological approach are geometry-,more » not physics-based. Similar non-physics based approach to understanding different phenomena was attempted with the introduction of cellular automata. It is anticipated that morphological synthesis and analysis will represent a useful supplementary tool to phase-field and will render assistance to unraveling the underlying microstructure-property relationships. The paper contains data on electrochemical characterization of different electrode materials that was conducted in parallel to morphological study.« less

Modeling of the flow behavior of SAE 8620H combing microstructure evolution in hot forming

NASA Astrophysics Data System (ADS)

Fu, Xiaobin; Wang, Baoyu; Tang, Xuefeng

2017-10-01

With the development of net-shape forming technology, hot forming process is widely applied to manufacturing gear parts, during which, materials suffer severe plastic distortion and microstructure changes continually. In this paper, to understand and model the flow behavior and microstructure evolution, SAE 8620H, a widely used gear steel, is selected as the object and the flow behavior and microstructure evolution are observed by an isothermal hot compression tests at 1273-1373 K with a strain rate of 0.1-10 s-1. Depending on the results of the compression test, a set of internal-state-variable based unified constitutive equations is put forward to describe the flow behavior and microstructure evaluation of SAE 8620H. Moreover, the evaluation of the dislocation density and the fraction of dynamic recrystallization based on the theory of thermal activation is modeled and reincorporated into the constitutive law. The material parameters in the constitutive model are calculated based on the measured flow stress and dynamic recrystallization fraction. The predicted flow stress under different deformation conditions has a good agreement with the measured results.

High Fidelity Ion Beam Simulation of High Dose Neutron Irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Was, Gary; Wirth, Brian; Motta, Athur

The objective of this proposal is to demonstrate the capability to predict the evolution of microstructure and properties of structural materials in-reactor and at high doses, using ion irradiation as a surrogate for reactor irradiations. “Properties” includes both physical properties (irradiated microstructure) and the mechanical properties of the material. Demonstration of the capability to predict properties has two components. One is ion irradiation of a set of alloys to yield an irradiated microstructure and corresponding mechanical behavior that are substantially the same as results from neutron exposure in the appropriate reactor environment. Second is the capability to predict the irradiatedmore » microstructure and corresponding mechanical behavior on the basis of improved models, validated against both ion and reactor irradiations and verified against ion irradiations. Taken together, achievement of these objectives will yield an enhanced capability for simulating the behavior of materials in reactor irradiations.« less

Creep Crack Initiation and Growth Behavior for Ni-Base Superalloys

NASA Astrophysics Data System (ADS)

Nagumo, Yoshiko; Yokobori, A. Toshimitsu, Jr.; Sugiura, Ryuji; Ozeki, Go; Matsuzaki, Takashi

The structural components which are used in high temperature gas turbines have various shapes which may cause the notch effect. Moreover, the site of stress concentration might have the heterogeneous microstructural distribution. Therefore, it is necessary to clarify the creep fracture mechanism for these materials in order to predict the life of creep fracture with high degree of accuracy. In this study, the creep crack growth tests were performed using in-situ observational testing machine with microscope to observe the creep damage formation and creep crack growth behavior. The materials used are polycrystalline Ni-base superalloy IN100 and directionally solidified Ni-base superalloy CM247LC which were developed for jet engine turbine blades and gas turbine blades in electric power plants, respectively. The microstructural observation of the test specimens was also conducted using FE-SEM/EBSD. Additionally, the analyses of two-dimensional elastic-plastic creep finite element using designed methods were conducted to understand the effect of microstructural distribution on creep damage formation. The experimental and analytical results showed that it is important to determine the creep crack initiation and early crack growth to predict the life of creep fracture and it is indicated that the highly accurate prediction of creep fracture life could be realized by measuring notch opening displacement proposed as the RNOD characteristic.

Application of an Elongated Kelvin Model to Space Shuttle Foams

NASA Technical Reports Server (NTRS)

Sullivan, Roy M.; Ghosn, Louis J.; Lerch, Bradley A.

2009-01-01

The space shuttle foams are rigid closed-cell polyurethane foams. The two foams used most-extensively oil space shuttle external tank are BX-265 and NCFL4-124. Because of the foaming and rising process, the foam microstructures are elongated in the rise direction. As a result, these two foams exhibit a nonisotropic mechanical behavior. A detailed microstructural characterization of the two foams is presented. Key features of the foam cells are described and the average cell dimensions in the two foams are summarized. Experimental studies are also conducted to measure the room temperature mechanical response of the two foams in the two principal material directions (parallel to the rise and perpendicular to the rise). The measured elastic modulus, proportional limit stress, ultimate tensile strength, and Poisson's ratios are reported. The generalized elongated Kelvin foam model previously developed by the authors is reviewed and the equations which result from this model are summarized. Using the measured microstructural dimensions and the measured stiffness ratio, the foam tensile strength ratio and Poisson's ratios are predicted for both foams and are compared with the experimental data. The predicted tensile strength ratio is in close agreement with the measured strength ratio for both BX-265 and NCFI24-124. The comparison between the predicted Poisson's ratios and the measured values is not as favorable.

Effect of microstructure on high-temperature mechanical behavior of nickel-base superalloys for turbine disc applications

NASA Astrophysics Data System (ADS)

Sharpe, Heather Joan

2007-05-01

Engineers constantly seek advancements in the performance of aircraft and power generation engines, including, lower costs and emissions, and improved fuel efficiency. Nickel-base superalloys are the material of choice for turbine discs, which experience some of the highest temperatures and stresses in the engine. Engine performance is proportional to operating temperatures. Consequently, the high-temperature capabilities of disc materials limit the performance of gas-turbine engines. Therefore, any improvements to engine performance necessitate improved alloy performance. In order to take advantage of improvements in high-temperature capabilities through tailoring of alloy microstructure, the overall objectives of this work were to establish relationships between alloy processing and microstructure, and between microstructure and mechanical properties. In addition, the projected aimed to demonstrate the applicability of neural network modeling to the field of Ni-base disc alloy development and behavior. The first phase of this work addressed the issue of how microstructure varies with heat treatment and by what mechanisms these structures are formed. Further it considered how superalloy composition could account for microstructural variations from the same heat treatment. To study this, four next-generation Ni-base disc alloys were subjected to various controlled heat-treatments and the resulting microstructures were then quantified. These quantitative results were correlated to chemistry and processing, including solution temperature, cooling rate, and intermediate hold temperature. A complex interaction of processing steps and chemistry was found to contribute to all features measured; grain size, precipitate distribution, grain boundary serrations. Solution temperature, above a certain threshold, and cooling rate controlled grain size, while cooling rate and intermediate hold temperature controlled precipitate formation and grain boundary serrations. Diffusion, both intergranular and grain boundary, was identified as the most pertinent mechanism. Variations in chemistry between alloys created different amounts of gamma/gamma' misfit strain, which affected precipitate size and morphology. Next the question of how a disc alloy with differing microstructures would respond to constant or cyclic stresses as a function of time was addressed. To this end, mechanical testing at elevated temperatures was conducted, including tensile, hardness, creep deformation, creep crack growth and fatigue crack growth. Overall, mechanical properties were primarily related to the cooling rate during processing with hold temperatures being secondary. Whether the impact was positive or negative depended on the behavior under consideration. Fast cooling rates improved yield strength and creep resistance, but were detrimental to creep crack growth rates. The ability of precipitate particles to impede dislocation motion was the most frequently cited mechanism behind structure-property interaction. Neural network models were successfully generated for processing-structure predictions, as well as for structure-property predictions. Training data was limited, none-the-less models were able to predict outputs with minimal relative errors. This was achieved through careful balance between the number of inputs and amount of training data. Despite the demonstrated correlation between microstructure and yield strength, microstructural quantities did not need to be directly inputted. Neural networks were sufficiently sensitive as to infer these effects from processing and chemistry inputs. This result improves the efficiency of this technique, while also demonstrating the capability of neural network techniques. A full program of heat-treatment, microstructure quantification, mechanical testing, and neural network modeling was successfully applied to next generation Ni-base disc alloys. From this work the mechanisms of processing-structure and structure-property relationships were studied. Further, testing results were used to demonstrate the applicability of machine-learning techniques to the development and optimization of this family of superalloys.

Multi-scale modeling of microstructure dependent intergranular brittle fracture using a quantitative phase-field based method

DOE PAGES

Chakraborty, Pritam; Zhang, Yongfeng; Tonks, Michael R.

2015-12-07

In this study, the fracture behavior of brittle materials is strongly influenced by their underlying microstructure that needs explicit consideration for accurate prediction of fracture properties and the associated scatter. In this work, a hierarchical multi-scale approach is pursued to model microstructure sensitive brittle fracture. A quantitative phase-field based fracture model is utilized to capture the complex crack growth behavior in the microstructure and the related parameters are calibrated from lower length scale atomistic simulations instead of engineering scale experimental data. The workability of this approach is demonstrated by performing porosity dependent intergranular fracture simulations in UO 2 and comparingmore » the predictions with experiments.« less

Multi-scale modeling of microstructure dependent intergranular brittle fracture using a quantitative phase-field based method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakraborty, Pritam; Zhang, Yongfeng; Tonks, Michael R.

In this study, the fracture behavior of brittle materials is strongly influenced by their underlying microstructure that needs explicit consideration for accurate prediction of fracture properties and the associated scatter. In this work, a hierarchical multi-scale approach is pursued to model microstructure sensitive brittle fracture. A quantitative phase-field based fracture model is utilized to capture the complex crack growth behavior in the microstructure and the related parameters are calibrated from lower length scale atomistic simulations instead of engineering scale experimental data. The workability of this approach is demonstrated by performing porosity dependent intergranular fracture simulations in UO 2 and comparingmore » the predictions with experiments.« less

A dual-phase microstructural approach to damage and fracture of Ti3SiC2/SiC joints

NASA Astrophysics Data System (ADS)

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

2018-02-01

The microcracking mechanisms responsible for Ti3SiC2/SiC joint damage observed at the macroscopic scale after neutron irradiation experiments are investigated in detail. A dual-phase microstructural approach to damage and fracture of Ti3SiC2/SiC joints is developed that uses a finely discretized two-phase domain based on a digital image of an actual microstructure involving embedded Ti3SiC2 and SiC phases. The behaviors of SiC and Ti3SiC2 in the domain are described by the continuum damage mechanics (CDM) model reported in Nguyen et al., J. Nucl. Mater., 2017, 495:504-515. This CDM model describes microcracking damage in brittle ceramics caused by thermomechanical loading and irradiation-induced swelling. The dual-phase microstructural model is applied to predict the microcracking mechanisms occurring in a typical Ti3SiC2/SiC joint subjected to heating to 800 °C followed by irradiation-induced swelling at this temperature and cooling to room temperature after the applied swelling has reached the maximum swelling levels observed in the experiments for SiC and Ti3SiC2. The model predicts minor damage of the joint after heating but significant microcracking in the SiC phase and along the boundaries between SiC and Ti3SiC2 as well as along the bonding joint during irradiation-induced swelling and cooling to room temperature. These predictions qualitatively agree with the limited experimental observations of joint damage at this irradiation temperature.

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.

Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

DOE PAGES

Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.; ...

2017-11-20

Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less

Microstructure-sensitive Crystal Viscoplasticity for Ni-base Superalloys Targeting Long-term Creep-Fatigue Interaction Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neu, Richard W.

The aim of this project is to develop a microstructure-sensitive crystal viscoplasticity (CVP) model for single-crystal Ni-base superalloys to model the behavior of the material and components in the hot gas path sections of industrial gas turbines (IGT). Microstructure degradation associated with aging critical to predicting long-term creep-fatigue interactions will be embedded into the model through the γ' precipitate morphology evolution by coupling the coarsening drivers and kinetics into the constitutive equations of the CVP model. Model parameters will be determined using new experimental protocols that involve systematically artificially aging the alloy under different stress conditions to determine the relationshipmore » between the size and morphology g' precipitates on the creep and thermomechanical fatigue response.« less

Microstructure-sensitive Crystal Viscoelasticity for Ni-base Superalloys Targeting Long-term Creep-Fatigue Interaction Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neu, Richard W

The aim of this project is to develop a microstructure-sensitive crystal viscoplasticity (CVP) model for single-crystal Ni-base superalloys to model the behavior of the material and components in the hot gas path sections of industrial gas turbines (IGT). Microstructure degradation associated with aging critical to predicting long-term creep-fatigue interactions will be embedded into the model through the γ' precipitate morphology evolution by coupling the coarsening drivers and kinetics into the constitutive equations of the CVP model. Model parameters will be determined using new experimental protocols that involve systematically artificially aging the alloy under different stress conditions to determine the relationshipmore » between the size and morphology g' precipitates on the creep and thermomechanical fatigue response.« less

Utilization of FEM model for steel microstructure determination

NASA Astrophysics Data System (ADS)

Kešner, A.; Chotěborský, R.; Linda, M.; Hromasová, M.

2018-02-01

Agricultural tools which are used in soil processing, they are worn by abrasive wear mechanism cases by hard minerals particles in the soil. The wear rate is influenced by mechanical characterization of tools material and wear rate is influenced also by soil mineral particle contents. Mechanical properties of steel can be affected by a technology of heat treatment that it leads to a different microstructures. Experimental work how to do it is very expensive and thanks to numerical methods like FEM we can assumed microstructure at low cost but each of numerical model is necessary to be verified. The aim of this work has shown a procedure of prediction microstructure of steel for agricultural tools. The material characterizations of 51CrV4 grade steel were used for numerical simulation like TTT diagram, heat capacity, heat conduction and other physical properties of material. A relationship between predicted microstructure by FEM and real microstructure after heat treatment shows a good correlation.

A Geometric Approach to Modeling Microstructurally Small Fatigue Crack Formation. 2; Simulation and Prediction of Crack Nucleation in AA 7075-T651

NASA Technical Reports Server (NTRS)

Hochhalter, Jake D.; Littlewood, David J.; Christ, Robert J., Jr.; Veilleux, M. G.; Bozek, J. E.; Ingraffea, A. R.; Maniatty, Antionette M.

2010-01-01

The objective of this paper is to develop further a framework for computationally modeling microstructurally small fatigue crack growth in AA 7075-T651 [1]. The focus is on the nucleation event, when a crack extends from within a second-phase particle into a surrounding grain, since this has been observed to be an initiating mechanism for fatigue crack growth in this alloy. It is hypothesized that nucleation can be predicted by computing a non-local nucleation metric near the crack front. The hypothesis is tested by employing a combination of experimentation and nite element modeling in which various slip-based and energy-based nucleation metrics are tested for validity, where each metric is derived from a continuum crystal plasticity formulation. To investigate each metric, a non-local procedure is developed for the calculation of nucleation metrics in the neighborhood of a crack front. Initially, an idealized baseline model consisting of a single grain containing a semi-ellipsoidal surface particle is studied to investigate the dependence of each nucleation metric on lattice orientation, number of load cycles, and non-local regularization method. This is followed by a comparison of experimental observations and computational results for microstructural models constructed by replicating the observed microstructural geometry near second-phase particles in fatigue specimens. It is found that orientation strongly influences the direction of slip localization and, as a result, in uences the nucleation mechanism. Also, the baseline models, replication models, and past experimental observation consistently suggest that a set of particular grain orientations is most likely to nucleate fatigue cracks. It is found that a continuum crystal plasticity model and a non-local nucleation metric can be used to predict the nucleation event in AA 7075-T651. However, nucleation metric threshold values that correspond to various nucleation governing mechanisms must be calibrated.

The Effect of Microstructure On Transport Properties of Porous Electrodes

NASA Astrophysics Data System (ADS)

Peterson, Serena W.

The goal of this work is to further understand the relationships between porous electrode microstructure and mass transport properties. This understanding allows us to predict and improve cell performance from fundamental principles. The investigated battery systems are the widely used rechargeable Li-ion battery and the non-rechargeable alkaline battery. This work includes three main contributions in the battery field listed below. Direct Measurement of Effective Electronic Transport in Porous Li-ion Electrodes. An accurate assessment of the electronic conductivity of electrodes is necessary for understanding and optimizing battery performance. The bulk electronic conductivity of porous LiCoO2-based cathodes was measured as a function of porosity, pressure, carbon fraction, and the presence of an electrolyte. The measurements were performed by delamination of thin-film electrodes from their aluminum current collectors and by use of a four-line probe. Imaging and Correlating Microstructure To Conductivity. Transport properties of porous electrodes are strongly related to microstructure. An experimental 3D microstructure is needed not only for computation of direct transport properties, but also for a detailed electrode microstructure characterization. This work utilized X-ray tomography and focused ion beam (FIB)/scanning electron microscopy (SEM) to obtain the 3D structures of alkaline battery cathodes. FIB/SEM has the advantage of detecting carbon additives; thus, it was the main tomography tool employed. Additionally, protocols and techniques for acquiring, processing and segmenting series of FIB/SEM images were developed as part of this work. FIB/SEM images were also used to correlate electrodes' microstructure to their respective conductivities for both Li-ion and alkaline batteries. Electrode Microstructure Metrics and the 3D Stochastic Grid Model. A detailed characterization of microstructure was conducted in this work, including characterization of the volume fraction, nearest neighbor probability, domain size distribution, shape factor, and Fourier transform coefficient. These metrics are compared between 2D FIB/SEM, 3D FIB/SEM and X-ray structures. Among those metrics, the first three metrics are used as a basis for SG model parameterization. The 3D stochastic grid (SG) model is based on Monte Carlo techniques, in which a small set of fundamental inter-domain parameters are used to generate structures. This allows us to predict electrode microstructure and its effects on both electronic and ionic properties.

Prediction of Continuous Cooling Transformation Diagrams for Dual-Phase Steels from the Intercritical Region

NASA Astrophysics Data System (ADS)

Colla, V.; Desanctis, M.; Dimatteo, A.; Lovicu, G.; Valentini, R.

2011-09-01

The purpose of the present work is the implementation and validation of a model able to predict the microstructure changes and the mechanical properties in the modern high-strength dual-phase steels after the continuous annealing process line (CAPL) and galvanizing (Galv) process. Experimental continuous cooling transformation (CCT) diagrams for 13 differently alloying dual-phase steels were measured by dilatometry from the intercritical range and were used to tune the parameters of the microstructural prediction module of the model. Mechanical properties and microstructural features were measured for more than 400 dual-phase steels simulating the CAPL and Galv industrial process, and the results were used to construct the mechanical model that predicts mechanical properties from microstructural features, chemistry, and process parameters. The model was validated and proved its efficiency in reproducing the transformation kinetic and mechanical properties of dual-phase steels produced by typical industrial process. Although it is limited to the dual-phase grades and chemical compositions explored, this model will constitute a useful tool for the steel industry.

Modeling the Role of Dislocation Substructure During Class M and Exponential Creep. Revised

NASA Technical Reports Server (NTRS)

Raj, S. V.; Iskovitz, Ilana Seiden; Freed, A. D.

1995-01-01

The different substructures that form in the power-law and exponential creep regimes for single phase crystalline materials under various conditions of stress, temperature and strain are reviewed. The microstructure is correlated both qualitatively and quantitatively with power-law and exponential creep as well as with steady state and non-steady state deformation behavior. These observations suggest that creep is influenced by a complex interaction between several elements of the microstructure, such as dislocations, cells and subgrains. The stability of the creep substructure is examined in both of these creep regimes during stress and temperature change experiments. These observations are rationalized on the basis of a phenomenological model, where normal primary creep is interpreted as a series of constant structure exponential creep rate-stress relationships. The implications of this viewpoint on the magnitude of the stress exponent and steady state behavior are discussed. A theory is developed to predict the macroscopic creep behavior of a single phase material using quantitative microstructural data. In this technique the thermally activated deformation mechanisms proposed by dislocation physics are interlinked with a previously developed multiphase, three-dimensional. dislocation substructure creep model. This procedure leads to several coupled differential equations interrelating macroscopic creep plasticity with microstructural evolution.

Identifying Structure-Property Relationships Through DREAM.3D Representative Volume Elements and DAMASK Crystal Plasticity Simulations: An Integrated Computational Materials Engineering Approach

NASA Astrophysics Data System (ADS)

Diehl, Martin; Groeber, Michael; Haase, Christian; Molodov, Dmitri A.; Roters, Franz; Raabe, Dierk

2017-05-01

Predicting, understanding, and controlling the mechanical behavior is the most important task when designing structural materials. Modern alloy systems—in which multiple deformation mechanisms, phases, and defects are introduced to overcome the inverse strength-ductility relationship—give raise to multiple possibilities for modifying the deformation behavior, rendering traditional, exclusively experimentally-based alloy development workflows inappropriate. For fast and efficient alloy design, it is therefore desirable to predict the mechanical performance of candidate alloys by simulation studies to replace time- and resource-consuming mechanical tests. Simulation tools suitable for this task need to correctly predict the mechanical behavior in dependence of alloy composition, microstructure, texture, phase fractions, and processing history. Here, an integrated computational materials engineering approach based on the open source software packages DREAM.3D and DAMASK (Düsseldorf Advanced Materials Simulation Kit) that enables such virtual material development is presented. More specific, our approach consists of the following three steps: (1) acquire statistical quantities that describe a microstructure, (2) build a representative volume element based on these quantities employing DREAM.3D, and (3) evaluate the representative volume using a predictive crystal plasticity material model provided by DAMASK. Exemplarily, these steps are here conducted for a high-manganese steel.

Computational micromechanics of fatigue of microstructures in the HCF–VHCF regimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Castelluccio, Gustavo M.; Musinski, William D.; McDowell, David L.

Advances in higher resolution experimental techniques have shown that metallic materials can develop fatigue cracks under cyclic loading levels significantly below the yield stress. Indeed, the traditional notion of a fatigue limit can be recast in terms of limits associated with nucleation and arrest of fatigue cracks at the microstructural scale. Though fatigue damage characteristically emerges from irreversible dislocation processes at sub-grain scales, the specific microstructure attributes, environment, and loading conditions can strongly affect the apparent failure mode and surface to subsurface transitions. This paper discusses multiple mechanisms that occur during fatigue loading in the high cycle fatigue (HCF) tomore » very high cycle fatigue (VHCF) regimes. We compare these regimes, focusing on strategies to bridge experimental and modeling approaches exercised at multiple length scales and discussing particular challenges to modeling and simulation regarding microstructure-sensitive fatigue driving forces and thresholds. Finally, we discuss some of the challenges in predicting the transition of failure mechanisms at different stress and strain amplitudes.« less

Computational micromechanics of fatigue of microstructures in the HCF–VHCF regimes

DOE PAGES

Castelluccio, Gustavo M.; Musinski, William D.; McDowell, David L.

2016-05-19

Advances in higher resolution experimental techniques have shown that metallic materials can develop fatigue cracks under cyclic loading levels significantly below the yield stress. Indeed, the traditional notion of a fatigue limit can be recast in terms of limits associated with nucleation and arrest of fatigue cracks at the microstructural scale. Though fatigue damage characteristically emerges from irreversible dislocation processes at sub-grain scales, the specific microstructure attributes, environment, and loading conditions can strongly affect the apparent failure mode and surface to subsurface transitions. This paper discusses multiple mechanisms that occur during fatigue loading in the high cycle fatigue (HCF) tomore » very high cycle fatigue (VHCF) regimes. We compare these regimes, focusing on strategies to bridge experimental and modeling approaches exercised at multiple length scales and discussing particular challenges to modeling and simulation regarding microstructure-sensitive fatigue driving forces and thresholds. Finally, we discuss some of the challenges in predicting the transition of failure mechanisms at different stress and strain amplitudes.« less

Design and analysis of forward and reverse models for predicting defect accumulation, defect energetics, and irradiation conditions

DOE PAGES

Stewart, James A.; Kohnert, Aaron A.; Capolungo, Laurent; ...

2018-03-06

The complexity of radiation effects in a material’s microstructure makes developing predictive models a difficult task. In principle, a complete list of all possible reactions between defect species being considered can be used to elucidate damage evolution mechanisms and its associated impact on microstructure evolution. However, a central limitation is that many models use a limited and incomplete catalog of defect energetics and associated reactions. Even for a given model, estimating its input parameters remains a challenge, especially for complex material systems. Here, we present a computational analysis to identify the extent to which defect accumulation, energetics, and irradiation conditionsmore » can be determined via forward and reverse regression models constructed and trained from large data sets produced by cluster dynamics simulations. A global sensitivity analysis, via Sobol’ indices, concisely characterizes parameter sensitivity and demonstrates how this can be connected to variability in defect evolution. Based on this analysis and depending on the definition of what constitutes the input and output spaces, forward and reverse regression models are constructed and allow for the direct calculation of defect accumulation, defect energetics, and irradiation conditions. Here, this computational analysis, exercised on a simplified cluster dynamics model, demonstrates the ability to design predictive surrogate and reduced-order models, and provides guidelines for improving model predictions within the context of forward and reverse engineering of mathematical models for radiation effects in a materials’ microstructure.« less

Design and analysis of forward and reverse models for predicting defect accumulation, defect energetics, and irradiation conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stewart, James A.; Kohnert, Aaron A.; Capolungo, Laurent

The complexity of radiation effects in a material’s microstructure makes developing predictive models a difficult task. In principle, a complete list of all possible reactions between defect species being considered can be used to elucidate damage evolution mechanisms and its associated impact on microstructure evolution. However, a central limitation is that many models use a limited and incomplete catalog of defect energetics and associated reactions. Even for a given model, estimating its input parameters remains a challenge, especially for complex material systems. Here, we present a computational analysis to identify the extent to which defect accumulation, energetics, and irradiation conditionsmore » can be determined via forward and reverse regression models constructed and trained from large data sets produced by cluster dynamics simulations. A global sensitivity analysis, via Sobol’ indices, concisely characterizes parameter sensitivity and demonstrates how this can be connected to variability in defect evolution. Based on this analysis and depending on the definition of what constitutes the input and output spaces, forward and reverse regression models are constructed and allow for the direct calculation of defect accumulation, defect energetics, and irradiation conditions. Here, this computational analysis, exercised on a simplified cluster dynamics model, demonstrates the ability to design predictive surrogate and reduced-order models, and provides guidelines for improving model predictions within the context of forward and reverse engineering of mathematical models for radiation effects in a materials’ microstructure.« less

Development of fish-based model systems with various microstructures.

PubMed

Verheyen, Davy; Baka, Maria; Glorieux, Seline; Duquenne, Barbara; Fraeye, Ilse; Skåra, Torstein; Van Impe, Jan F

2018-04-01

The effectiveness of predictive microbiology is limited by the lack of knowledge concerning the influence of food microstructure on microbial dynamics. Therefore, future modelling attempts should be based on experiments in structured food model systems as well as liquid systems. In this study, fish-based model systems with various microstructures were developed, i.e., two liquid systems (with and without xanthan gum), an emulsion, an aqueous gel, and a gelled emulsion. The microstructural effect was isolated by minimising compositional and physico-chemical changes among the different model systems. The systems were suitable for common growth and mild thermal inactivation experiments involving both homogeneous and surface inoculation. Average pH of the model systems was 6.36±0.03 and average a w was 0.988±0.002. The liquid system without xanthan gum behaved like a Newtonian fluid, while the emulsion and the liquid containing xanthan gum exhibited (non-Newtonian) pseudo-plastic behaviour. Both the aqueous gel and gelled emulsion were classified as strong gels, with a hardness of 1.35±0.07N and 1.25±0.05N, respectively. Fat droplet size of the emulsion and gelled emulsion model systems was evenly distributed around 1μm. In general, the set of model systems was proven to be suitable to study the influence of important aspects of food microstructure on microbial dynamics. Copyright © 2017. Published by Elsevier Ltd.

A homogenization-based quasi-discrete method for the fracture of heterogeneous materials

NASA Astrophysics Data System (ADS)

Berke, P. Z.; Peerlings, R. H. J.; Massart, T. J.; Geers, M. G. D.

2014-05-01

The understanding and the prediction of the failure behaviour of materials with pronounced microstructural effects is of crucial importance. This paper presents a novel computational methodology for the handling of fracture on the basis of the microscale behaviour. The basic principles presented here allow the incorporation of an adaptive discretization scheme of the structure as a function of the evolution of strain localization in the underlying microstructure. The proposed quasi-discrete methodology bridges two scales: the scale of the material microstructure, modelled with a continuum type description; and the structural scale, where a discrete description of the material is adopted. The damaging material at the structural scale is divided into unit volumes, called cells, which are represented as a discrete network of points. The scale transition is inspired by computational homogenization techniques; however it does not rely on classical averaging theorems. The structural discrete equilibrium problem is formulated in terms of the underlying fine scale computations. Particular boundary conditions are developed on the scale of the material microstructure to address damage localization problems. The performance of this quasi-discrete method with the enhanced boundary conditions is assessed using different computational test cases. The predictions of the quasi-discrete scheme agree well with reference solutions obtained through direct numerical simulations, both in terms of crack patterns and load versus displacement responses.

Effects of alloying elements on the microstructure and fatigue properties of cast iron for internal combustion engine exhaust manifolds

NASA Astrophysics Data System (ADS)

Eisenmann, David J.

In the design of exhaust manifolds for internal combustion engines the materials used must exhibit resistance to corrosion at high temperatures while maintaining a stable microstructure. Cast iron has been used for manifolds for many years by auto manufacturers due to a combination of suitable mechanical properties, low cost, and ease of casting. Over time cast iron is susceptible to microstructural changes, corrosion, and oxidation which can result in failure due to fatigue. This thesis seeks to answer the question: "Can observed microstructural changes and measured high temperature fatigue life in cast iron alloys be used to develop a predictive model for fatigue life?" the importance of this question lies in the fact that there is little data for the behavior of cast iron alloys at high temperature. For this study two different types of cast iron, 50HS and HSM will be examined. Of particular concern for the high Si+C cast irons (and Mo in the case of the HSM cast iron) are subsurface microstructural changes that result due to heat treatment including (1) decarburization, (2) ferrite formation, (3) graphitization, (4) internal oxidation of the Si, (5) high temperature fatigue resistance, and (6) creep potential. Initial results obtained include microstructure examination after being exposed to high temperatures, grain size, nodule size, and hardness measurements. The initial examinations concluded that both cast irons performed fairly similarly, although the microstructure of the HSM samples did show slightly better resistance to high temperature as compared to that of the 50HS. Follow on work involved high temperature fatigue testing of these two materials in order to better determine if the newer alloy, HSM is a better choice for exhaust manifolds. Correlations between fatigue performance and microstructure were made and discussed, with the results examined in light of current and proposed models for predicting fatigue performance based on computational methods, to see if any suitable models exist that might be used to assist in designing with these cast alloys.

The Compositional Dependence of the Microstructure and Properties of CMSX-4 Superalloys

NASA Astrophysics Data System (ADS)

Yu, Hao; Xu, Wei; Van Der Zwaag, Sybrand

2018-01-01

The degradation of creep resistance in Ni-based single-crystal superalloys is essentially ascribed to their microstructural evolution. Yet there is a lack of work that manages to predict (even qualitatively) the effect of alloying element concentrations on the rate of microstructural degradation. In this research, a computational model is presented to connect the rafting kinetics of Ni superalloys to their chemical composition by combining thermodynamics calculation and a modified microstructural model. To simulate the evolution of key microstructural parameters during creep, the isotropic coarsening rate and γ/ γ' misfit stress are defined as composition-related parameters, and the effect of service temperature, time, and applied stress are taken into consideration. Two commercial superalloys, for which the kinetics of the rafting process are selected as the reference alloys, and the corresponding microstructural parameters are simulated and compared with experimental observations reported in the literature. The results confirm that our physical model not requiring any fitting parameters manages to predict (semiquantitatively) the microstructural parameters for different service conditions, as well as the effects of alloying element concentrations. The model can contribute to the computational design of new Ni-based superalloys.

Numerical simulation of temperature field, microstructure evolution and mechanical properties of HSS during hot stamping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Dongyong; Liu, Wenquan; Ying, Liang, E-mail: pinghu@dlut.edu.cn

The hot stamping of boron steels is widely used to produce ultra high strength automobile components without any spring back. The ultra high strength of final products is attributed to the fully martensitic microstructure that is obtained through the simultaneous forming and quenching of the hot blanks after austenization. In the present study, a mathematical model incorporating both heat transfer and the transformation of austenite is presented. A FORTRAN program based on finite element technique has been developed which permits the temperature distribution and microstructure evolution of high strength steel during hot stamping process. Two empirical diffusion-dependent transformation models undermore » isothermal conditions were employed respectively, and the prediction capability on mechanical properties of the models were compared with the hot stamping experiment of an automobile B-pillar part.« less

Computer-Aided Design of Manufacturing Chain Based on Closed Die Forging for Hardly Deformable Cu-Based Alloys

NASA Astrophysics Data System (ADS)

Pietrzyk, Maciej; Kuziak, Roman; Pidvysots'kyy, Valeriy; Nowak, Jarosław; Węglarczyk, Stanisław; Drozdowski, Krzysztof

2013-07-01

Two copper-based alloys were considered, Cu-1 pct Cr and Cu-0.7 pct Cr-1 pct Si-2 pct Ni. The thermal, electrical, and mechanical properties of these alloys are given in the paper and compared to pure copper and steel. The role of aging and precipitation kinetics in hardening of the alloys is discussed based upon the developed model. Results of plastometric tests performed at various temperatures and various strain rates are presented. The effect of the initial microstructure on the flow stress was investigated. Rheologic models for the alloys were developed. A finite element (FE) model based on the Norton-Hoff visco-plastic flow rule was applied to the simulation of forging of the alloys. Analysis of the die wear for various processes of hot and cold forging is presented as well. A microstructure evolution model was implemented into the FE code, and the microstructure and mechanical properties of final products were predicted. Various variants of the manufacturing cycles were considered. These include different preheating schedules, hot forging, cold forging, and aging. All variants were simulated using the FE method and loads, die filling, tool wear, and mechanical properties of products were predicted. Three variants giving the best combination of forging parameters were selected and industrial trials were performed. The best manufacturing technology for the copper-based alloys is proposed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Tianyu; Xu, Hongyi; Chen, Wei

Fiber-reinforced polymer composites are strong candidates for structural materials to replace steel and light alloys in lightweight vehicle design because of their low density and relatively high strength. In the integrated computational materials engineering (ICME) development of carbon fiber composites, microstructure reconstruction algorithms are needed to generate material microstructure representative volume element (RVE) based on the material processing information. The microstructure RVE reconstruction enables the material property prediction by finite element analysis (FEA)This paper presents an algorithm to reconstruct the microstructure of a chopped carbon fiber/epoxy laminate material system produced by compression molding, normally known as sheet molding compounds (SMC).more » The algorithm takes the result from material’s manufacturing process as inputs, such as the orientation tensor of fibers, the chopped fiber sheet geometry, and the fiber volume fraction. The chopped fiber sheets are treated as deformable rectangle chips and a random packing algorithm is developed to pack these chips into a square plate. The RVE is built in a layer-by-layer fashion until the desired number of lamina is reached, then a fine tuning process is applied to finalize the reconstruction. Compared to the previous methods, this new approach has the ability to model bended fibers by allowing limited amount of overlaps of rectangle chips. Furthermore, the method does not need SMC microstructure images, for which the image-based characterization techniques have not been mature enough, as inputs. Case studies are performed and the results show that the statistics of the reconstructed microstructures generated by the algorithm matches well with the target input parameters from processing.« less

Collaborative Research and Development Delivery. Order 0041: Models for the Prediction of Interfacial Properties

DTIC Science & Technology

2006-08-01

and analytical techniques. Materials with larger grains, such as gamma titanium aluminide , can be instrumented with strain gages on each grain...scale. Materials such as Ti-15-Al-33Nb(at.%) have a significantly smaller microstructure than gamma titanium aluminide , therefore strain gages can...contact fatigue problems that arise at the blade -disk interface in aircraft engines. The stress fields can be used to predict the performance of

A dual-phase microstructural approach to damage and fracture of Ti 3SiC 2/SiC joints

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

We investigate the microcracking mechanisms responsible for Ti 3SiC 2/SiC joint damage observed at the macroscopic scale after neutron irradiation experiments in detail. A dual-phase microstructural approach to damage and fracture of Ti 3SiC 2/SiC joints is developed that uses a finely discretized two-phase domain based on a digital image of an actual microstructure involving embedded Ti 3SiC 2 and SiC phases. The behaviors of SiC and Ti 3SiC 2 in the domain are described by the continuum damage mechanics (CDM) model reported in Nguyen et al., J. Nucl. Mater., 2017, 495:504–515. This CDM model describes microcracking damage in brittlemore » ceramics caused by thermomechanical loading and irradiation-induced swelling. The dual-phase microstructural model is applied to predict the microcracking mechanisms occurring in a typical Ti 3SiC 2/SiC joint subjected to heating to 800 °C followed by irradiation-induced swelling at this temperature and cooling to room temperature after the applied swelling has reached the maximum swelling levels observed in the experiments for SiC and Ti 3SiC 2. The model predicts minor damage of the joint after heating but significant microcracking in the SiC phase and along the boundaries between SiC and Ti 3SiC 2 as well as along the bonding joint during irradiation-induced swelling and cooling to room temperature. Our predictions qualitatively agree with the limited experimental observations of joint damage at this irradiation temperature.« less

A dual-phase microstructural approach to damage and fracture of Ti 3SiC 2/SiC joints

DOE PAGES

Nguyen, Ba Nghiep; Henager, Charles H.; Kurtz, Richard J.

2017-12-05

We investigate the microcracking mechanisms responsible for Ti 3SiC 2/SiC joint damage observed at the macroscopic scale after neutron irradiation experiments in detail. A dual-phase microstructural approach to damage and fracture of Ti 3SiC 2/SiC joints is developed that uses a finely discretized two-phase domain based on a digital image of an actual microstructure involving embedded Ti 3SiC 2 and SiC phases. The behaviors of SiC and Ti 3SiC 2 in the domain are described by the continuum damage mechanics (CDM) model reported in Nguyen et al., J. Nucl. Mater., 2017, 495:504–515. This CDM model describes microcracking damage in brittlemore » ceramics caused by thermomechanical loading and irradiation-induced swelling. The dual-phase microstructural model is applied to predict the microcracking mechanisms occurring in a typical Ti 3SiC 2/SiC joint subjected to heating to 800 °C followed by irradiation-induced swelling at this temperature and cooling to room temperature after the applied swelling has reached the maximum swelling levels observed in the experiments for SiC and Ti 3SiC 2. The model predicts minor damage of the joint after heating but significant microcracking in the SiC phase and along the boundaries between SiC and Ti 3SiC 2 as well as along the bonding joint during irradiation-induced swelling and cooling to room temperature. Our predictions qualitatively agree with the limited experimental observations of joint damage at this irradiation temperature.« less

Evaluation of agave fiber delignification by means of microscopy techniques and image analysis.

PubMed

Hernández-Hernández, Hilda M; Chanona-Pérez, Jorge J; Calderón-Domínguez, Georgina; Perea-Flores, María J; Mendoza-Pérez, Jorge A; Vega, Alberto; Ligero, Pablo; Palacios-González, Eduardo; Farrera-Rebollo, Reynold R

2014-10-01

Recently, the use of different types of natural fibers to produce paper and textiles from agave plants has been proposed. Agave atrovirens can be a good source of cellulose and lignin; nevertheless, the microstructural changes that happen during delignification have scarcely been studied. The aim of this work was to study the microstructural changes that occur during the delignification of agave fibers by means of microscopy techniques and image analysis. The fibers of A. atrovirens were obtained from leaves using convective drying, milling, and sieving. Fibers were processed using the Acetosolv pulping method at different concentrations of acetic acid; increasing acid concentration promoted higher levels of delignification, structural damage, and the breakdown of fiber clumps. Delignification followed by spectrometric analysis and microstructural studies were carried out by light, confocal laser scanning and scanning electron microscopy and showed that the delignification process follows three stages: initial, bulk, and residual. Microscopy techniques and image analysis were efficient tools for microstructural characterization during delignification of agave fibers, allowing quantitative evaluation of the process and the development of linear prediction models. The data obtained integrated numerical and microstructural information that could be valuable for the study of pulping of lignocellulosic materials.

Development of the Microstructure Based Stochastic Life Prediction Models

DTIC Science & Technology

1991-06-27

sizes and shapes of the recrystallized and unrecrystallized grains and also measure sizes of subgrains. We will also determine the degree of...J. Lankford et al., STP 811, ASTM STP 811. ASTM, 1983. 5. M. R. James and W. L. Morris, "The Role of Microplastic Deformation in Fatigue Crack

Oral Narrative Performance of African American Prekindergartners Who Speak Nonmainstream American English

ERIC Educational Resources Information Center

Terry, Nicole Patton; Mills, Monique T.; Bingham, Gary E.; Mansour, Souraya; Marencin, Nancy

2013-01-01

Purpose: This study had 4 primary purposes: (a) to describe the oral narrative performance of typically developing African American prekindergarten children with commonly used macro- and microstructure measures; (b) to examine the concurrent and (c) predictive relations between narrative performance, spoken dialect use, vocabulary, and story…

A numerical multi-scale model to predict macroscopic material anisotropy of multi-phase steels from crystal plasticity material definitions

NASA Astrophysics Data System (ADS)

Ravi, Sathish Kumar; Gawad, Jerzy; Seefeldt, Marc; Van Bael, Albert; Roose, Dirk

2017-10-01

A numerical multi-scale model is being developed to predict the anisotropic macroscopic material response of multi-phase steel. The embedded microstructure is given by a meso-scale Representative Volume Element (RVE), which holds the most relevant features like phase distribution, grain orientation, morphology etc., in sufficient detail to describe the multi-phase behavior of the material. A Finite Element (FE) mesh of the RVE is constructed using statistical information from individual phases such as grain size distribution and ODF. The material response of the RVE is obtained for selected loading/deformation modes through numerical FE simulations in Abaqus. For the elasto-plastic response of the individual grains, single crystal plasticity based plastic potential functions are proposed as Abaqus material definitions. The plastic potential functions are derived using the Facet method for individual phases in the microstructure at the level of single grains. The proposed method is a new modeling framework and the results presented in terms of macroscopic flow curves are based on the building blocks of the approach, while the model would eventually facilitate the construction of an anisotropic yield locus of the underlying multi-phase microstructure derived from a crystal plasticity based framework.

Nucleus basalis of Meynert degeneration precedes and predicts cognitive impairment in Parkinson's disease.

PubMed

Schulz, Jonathan; Pagano, Gennaro; Fernández Bonfante, Juan Alberto; Wilson, Heather; Politis, Marios

2018-05-01

Currently, no reliable predictors of cognitive impairment in Parkinson's disease exist. We hypothesized that microstructural changes at grey matter T1-weighted MRI and diffusion tensor imaging in the cholinergic system nuclei and associated limbic pathways underlie cognitive impairment in Parkinson's disease. We performed a cross-sectional comparison between patients with Parkinson's disease with and without cognitive impairment. We also performed a longitudinal 36-month follow-up study of cognitively intact Parkinson's disease patients, comparing patients who remained cognitively intact to those who developed cognitive impairment. Patients with Parkinson's disease with cognitive impairment showed lower grey matter volume and increased mean diffusivity in the nucleus basalis of Meynert, compared to patients with Parkinson's disease without cognitive impairment. These results were confirmed both with region of interest and voxel-based analyses, and after partial volume correction. Lower grey matter volume and increased mean diffusivity in the nucleus basalis of Meynert was predictive for developing cognitive impairment in cognitively intact patients with Parkinson's disease, independent of other clinical and non-clinical markers of the disease. Structural and microstructural alterations in entorhinal cortex, amygdala, hippocampus, insula, and thalamus were not predictive for developing cognitive impairment in Parkinson's disease. Our findings provide evidence that degeneration of the nucleus basalis of Meynert precedes and predicts the onset of cognitive impairment, and might be used in a clinical setting as a reliable biomarker to stratify patients at higher risk of cognitive decline.

Effect of heat treatment on the microstructure of a 2CrMoNiWV rotor steel

NASA Astrophysics Data System (ADS)

Li, Cheng

A wide range of experiments have been carried out on a 2CrMoNiWV low alloy steel to investigate the effect of various heat treatment conditions on microstructural change, alloy carbide transformation mechanism and mechanical properties.Two complete continuous cooling transformation (CCT) diagrams were constructed for this steel on the basis of experimental dilatometry thermal analysis, metallographic examination and current phase transformation theory. The significance of these two diagrams is in that they can be directly utilised in industrial practice as a reference during heat treatment for this material. Meanwhile it was confirmed that this 2CrMoNiWV steel can be transformed to a fully bainitic microstructure over a wide range of cooling rates and this feature proved this steel suitable for large diameter steam turbine rotor application.An innovative carbide extraction technique for the XRD identification of carbide phase has been developed. The detailed description of this new technique and its advantages are discussed in this thesis. The extensive work using TEM/EDX has set up essential "finger prints" for the quick examination of large amounts of individual carbide existing at various heat treated conditions. Simultaneous measurements and determinations were made on particle composition, morphological change, the type, amount and distribution of these carbide phases. Thus the sequence of carbide transformation for this 2CrMoNiWV steel during tempering has been established.The characteristic microstructures of various heat treated specimens were carefully examined and discussed. Theoretical thermodynamic equilibria predictions were calculated using MTDATA. A very good agreement was found between experimental results and theoretical predictions on those critical transformation temperatures and a good correlation of carbide evolution sequences was obtained. Based on experimental results and theoretical predictions, the role of tungsten in promoting creep resistance to the material is elucidated.The usefulness of equilibrium thermodynamic calculations using MTDATA in predicting the microstructural changes and carbide evolution has been demonstrated in this work, particularly the separate effect of composition on the stable carbide dispersion where a thermodynamic approach offers great benefits.A possibly optimised heat treatment route is suggested for the large diameter rotor forgings which involves austenitising at 980°C for 10 hours following by oil quenching and then tempering at 675°C for 20 hours following by air cooling.Some general conclusions are drawn from this study, especially with regard to the effect of heat treatment on the microstructure of this 2CrMoNiWV steel and suggestions for further work are made.

Microstructural Characterization and Modeling of SLM Superalloy 718

NASA Technical Reports Server (NTRS)

Smith, Tim M.; Sudbrack, Chantal K.; Bonacuse, Pete; Rogers, Richard

2017-01-01

Superalloy 718 is an excellent candidate for selective laser melting (SLM) fabrication due to a combination of excellent mechanical properties and workability. Predicting and validating the microstructure of SLM-fabricated Superalloy 718 after potential post heat-treatment paths is an important step towards producing components comparable to those made using conventional methods. At present, obtaining accurate volume fraction and size measurements of gamma-double-prime, gamma-prime and delta precipitates has been challenging due to their size, low volume fractions, and similar chemistries. A technique combining high resolution distortion corrected SEM imaging and with x-ray energy dispersive spectroscopy has been developed to accurately and independently measure the size and volume fractions of the three precipitates. These results were further validated using x-ray diffraction and phase extraction methods and compared to the precipitation kinetics predicted by PANDAT and JMatPro. Discrepancies are discussed in context of materials properties, model assumptions, sampling, and experimental errors.

Two-Level Weld-Material Homogenization for Efficient Computational Analysis of Welded Structure Blast-Survivability

NASA Astrophysics Data System (ADS)

Grujicic, M.; Arakere, G.; Hariharan, A.; Pandurangan, B.

2012-06-01

The introduction of newer joining technologies like the so-called friction-stir welding (FSW) into automotive engineering entails the knowledge of the joint-material microstructure and properties. Since, the development of vehicles (including military vehicles capable of surviving blast and ballistic impacts) nowadays involves extensive use of the computational engineering analyses (CEA), robust high-fidelity material models are needed for the FSW joints. A two-level material-homogenization procedure is proposed and utilized in this study to help manage computational cost and computer storage requirements for such CEAs. The method utilizes experimental (microstructure, microhardness, tensile testing, and x-ray diffraction) data to construct: (a) the material model for each weld zone and (b) the material model for the entire weld. The procedure is validated by comparing its predictions with the predictions of more detailed but more costly computational analyses.

Microstructural development during solidification of stainless steel alloys

NASA Astrophysics Data System (ADS)

Elmer, J. W.; Allen, S. M.; Eagar, T. W.

1989-10-01

The microstructures that develop during the solidification of stainless steel alloys are related to the solidification conditions and the specific alloy composition. The solidification conditions are determined by the processing method, i.e., casting, welding, or rapid solidification, and by parametric variations within each of these techniques. One variable that has been used to characterize the effects of different processing conditions is the cooling rate. This factor and the chemical composition of the alloy both influence (1) the primary mode of solidification, (2) solute redistribution and second-phase formation during solidification, and (3) the nucleation and growth behavior of the ferrite-to-austenite phase transformation during cooling. Consequently, the residual ferrite content and the microstructural morphology depend on the cooling rate and are governed by the solidification process. This paper investigates the influence of cooling rate on the microstructure of stainless steel alloys and describes the conditions that lead to the many microstructural morphologies that develop during solidification. Experiments were performed on a series of seven high-purity Fe-Ni-Cr alloys that spanned the line of twofold saturation along the 59 wt pct Fe isopleth of the ternary alloy system. High-speed electron-beam surface-glazing was used to melt and resolidify these alloys at scan speeds up to 5 m/s. The resulting cooling rates were shown to vary from 7°C/s to 7.5×106°C/s, and the resolidified melts were analyzed by optical metallographic methods. Five primary modes of solidification and 12 microstructural morphologies were characterized in the resolidified alloys, and these features appear to be a complete “set” of the possible microstructures for 300-series stainless steel alloys. The results of this study were used to create electron-beam scan speed vs composition diagrams, which can be used to predict the primary mode of solidification and the microstructural morphology for different processing conditions. Furthermore, changes in the primary solidification mode were observed in alloys that lie on the chromium-rich side of the line of twofold saturation when they are cooled at high rates. These changes were explained by the presence of metastable austenite, which grows epitaxially and can dominate the solidification microstructure throughout the resolidified zone at high cooling rates.

Effect of food microstructure on growth dynamics of Listeria monocytogenes in fish-based model systems.

PubMed

Verheyen, Davy; Bolívar, Araceli; Pérez-Rodríguez, Fernando; Baka, Maria; Skåra, Torstein; Van Impe, Jan F

2018-06-01

Traditionally, predictive growth models for food pathogens are developed based on experiments in broth media, resulting in models which do not incorporate the influence of food microstructure. The use of model systems with various microstructures is a promising concept to get more insight into the influence of food microstructure on microbial dynamics. By means of minimal variation of compositional and physicochemical factors, these model systems can be used to study the isolated effect of certain microstructural aspects on microbial growth, survival and inactivation. In this study, the isolated effect on microbial growth dynamics of Listeria monocytogenes of two food microstructural aspects and one aspect influenced by food microstructure were investigated, i.e., the nature of the food matrix, the presence of fat droplets, and microorganism growth morphology, respectively. To this extent, fish-based model systems with various microstructures were used, i.e., a liquid, a second more viscous liquid system containing xanthan gum, an emulsion, an aqueous gel, and a gelled emulsion. Growth experiments were conducted at 4 and 10 °C, both using homogeneous and surface inoculation (only for the gelled systems). Results regarding the influence of the growth morphology indicated that the lag phase of planktonic cells in the liquid system was similar to the lag phase of submerged colonies in the xanthan system. The lag phase of submerged colonies in each gelled system was considerably longer than the lag phase of surface colonies on these respective systems. The maximum specific growth rate of planktonic cells in the liquid system was significantly lower than for submerged colonies in the xanthan system at 10 °C, while no significant differences were observed at 4 °C. The maximum cell density was higher for submerged colonies than for surface colonies. The nature of the food matrix only exerted an influence on the maximum specific growth rate, which was significantly higher in the viscous systems than in the gelled systems. The presence of a small amount of fat droplets improved the growth of L. monocytogenes at 4 °C, resulting in a shorter lag phase and a higher maximum specific growth rate. The obtained results could be useful in the determination of a set of suitable microstructural parameters for future predictive models that incorporate the influence of food microstructure on microbial dynamics. Copyright © 2018. Published by Elsevier B.V.

Effect of nano-SiO{sub 2} particles and curing time on development of fiber-matrix bond properties and microstructure of ultra-high strength concrete

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Zemei; Department of Civil, Architectural and Environmental Engineering, Missouri University of Science and Technology, Rolla 65409, MO; Khayat, Kamal Henri, E-mail: khayatk@mst.edu

Bond properties between fibers and cementitious matrix have significant effect on the mechanical behavior of composite materials. In this study, the development of steel fiber-matrix interfacial bond properties in ultra-high strength concrete (UHSC) proportioned with nano-SiO{sub 2} varying between 0 and 2%, by mass of cementitious materials, was investigated. A statistical model relating either bond strength or pullout energy to curing time and nano-SiO{sub 2} content was proposed by using the response surface methodology. Mercury intrusion porosimetry (MIP) and backscatter scanning electron microscopy (BSEM) were used to characterize the microstructure of the matrix and the fiber-matrix interface, respectively. Micro-hardness aroundmore » the embedded fiber and hydration products of the matrix were evaluated as well. Test results indicated that the optimal nano-SiO{sub 2} dosage was 1% in terms of the bond properties and the microstructure. The proposed quadratic model efficiently predicted the bond strength and pullout energy with consideration of curing time and nano-SiO{sub 2} content. The improvement in bond properties associated with nano-silica was correlated with denser matrix and/or interface and stronger bond and greater strength of hydration products based on microstructural analysis.« less

Phase-field simulation of weld solidification microstructure in an Al Cu alloy

NASA Astrophysics Data System (ADS)

Farzadi, A.; Do-Quang, M.; Serajzadeh, S.; Kokabi, A. H.; Amberg, G.

2008-09-01

Since the mechanical properties and the integrity of the weld metal depend on the solidification behaviour and the resulting microstructural characteristics, understanding weld pool solidification is of importance to engineers and scientists. Thermal and fluid flow conditions affect the weld pool geometry and solidification parameters. During solidification of the weld pool, a columnar grain structure develops in the weld metal. Prediction of the formation of the microstructure during welding may be an important and supporting factor for technology optimization. Nowadays, increasing computing power allows direct simulations of the dendritic and cell morphology of columnar grains in the molten zone for specific temperature conditions. In this study, the solidification microstructures of the weld pool at different locations along the fusion boundary are simulated during gas tungsten arc welding of Al-3wt%Cu alloy using the phase-field model for the directional solidification of dilute binary alloys. A macroscopic heat transfer and fluid flow model was developed to assess the solidification parameters, notably the temperature gradient and solidification growth rate. The effect of the welding speed is investigated. Computer simulations of the solidification conditions and the formation of a cellular morphology during the directional solidification in gas tungsten arc welding are described. Moreover, the simulation results are compared with existing theoretical models and experimental findings.

Advancements in tailored hot stamping simulations: Cooling channel and distortion analyses

NASA Astrophysics Data System (ADS)

Billur, Eren; Wang, Chao; Bloor, Colin; Holecek, Martin; Porzner, Harald; Altan, Taylan

2013-12-01

Hot stamped components have been widely used in the automotive industry in the last decade where ultra high strength is required. These parts, however, may not provide sufficient toughness to absorb crash energy. Therefore, these components are "tailored" by controlling the microstructure at various locations. Simulation of tailored hot stamped components requires more detailed analysis of microstructural changes. Furthermore, since the part is not uniformly quenched, severe distortion can be observed. CPF, together with ESI have developed a number of techniques to predict the final properties of a tailored part. This paper discusses the recent improvements in modeling distortion and die design with cooling channels.

Prediction of Austenite Formation Temperatures Using Artificial Neural Networks

NASA Astrophysics Data System (ADS)

Schulze, P.; Schmidl, E.; Grund, T.; Lampke, T.

2016-03-01

For the modeling and design of heat treatments, in consideration of the development/ transformation of the microstructure, different material data depending on the chemical composition, the respective microstructure/phases and the temperature are necessary. Material data are, e.g. the thermal conductivity, heat capacity, thermal expansion and transformation data etc. The quality of thermal simulations strongly depends on the accuracy of the material data. For many materials, the required data - in particular for different microstructures and temperatures - are rare in the literature. In addition, a different chemical composition within the permitted limits of the considered steel alloy cannot be predicted. A solution for this problem is provided by the calculation of material data using Artificial Neural Networks (ANN). In the present study, the start and finish temperatures of the transformation from the bcc lattice to the fcc lattice structure of hypoeutectoid steels are calculated using an Artificial Neural Network. An appropriate database containing different transformation temperatures (austenite formation temperatures) to train the ANN is selected from the literature. In order to find a suitable feedforward network, the network topologies as well as the activation functions of the hidden layers are varied and subsequently evaluated in terms of the prediction accuracy. The transformation temperatures calculated by the ANN exhibit a very good compliance compared to the experimental data. The results show that the prediction performance is even higher compared to classical empirical equations such as Andrews or Brandis. Therefore, it can be assumed that the presented ANN is a convenient tool to distinguish between bcc and fcc phases in hypoeutectoid steels.

Toward a virtual platform for materials processing

NASA Astrophysics Data System (ADS)

Schmitz, G. J.; Prahl, U.

2009-05-01

Any production is based on materials eventually becoming components of a final product. Material properties being determined by the microstructure of the material thus are of utmost importance both for productivity and reliability of processing during production and for application and reliability of the product components. A sound prediction of materials properties therefore is highly important. Such a prediction requires tracking of microstructure and properties evolution along the entire component life cycle starting from a homogeneous, isotropic and stress-free melt and eventually ending in failure under operational load. This article will outline ongoing activities at the RWTH Aachen University aiming at establishing a virtual platform for materials processing comprising a virtual, integrative numerical description of processes and of the microstructure evolution along the entire production chain and even extending further toward microstructure and properties evolution under operational conditions.

Observed Changes in As-Fabricated U-10Mo Monolithic Fuel Microstructures After Irradiation in the Advanced Test Reactor

NASA Astrophysics Data System (ADS)

Keiser, Dennis; Jue, Jan-Fong; Miller, Brandon; Gan, Jian; Robinson, Adam; Madden, James

2017-12-01

A low-enriched uranium U-10Mo monolithic nuclear fuel is being developed by the Material Management and Minimization Program, earlier known as the Reduced Enrichment for Research and Test Reactors Program, for utilization in research and test reactors around the world that currently use high-enriched uranium fuels. As part of this program, reactor experiments are being performed in the Advanced Test Reactor. It must be demonstrated that this fuel type exhibits mechanical integrity, geometric stability, and predictable behavior to high powers and high fission densities in order for it to be a viable fuel for qualification. This paper provides an overview of the microstructures observed at different regions of interest in fuel plates before and after irradiation for fuel samples that have been tested. These fuel plates were fabricated using laboratory-scale fabrication methods. Observations regarding how microstructural changes during irradiation may impact fuel performance are discussed.

Influence of convection on microstructure

NASA Technical Reports Server (NTRS)

Wilcox, William R.; Eisa, Gaber Faheem; Chandrasekhar, S.; Larrousse, Mark; Banan, Mohsen

1988-01-01

The influence was studied of convection during directional solidification on the resulting microstructure of eutectics, specifically lead/tin and manganese/bismuth. A theory was developed for the influence of convection on the microstructure of lamellar and fibrous eutectics, through the effect of convection on the concentration field in the melt in front of the growing eutectic. While the theory agrees with the experimental spin-up spin-down results, it predicts that the weak convection expected due to buoyancy will not produce a measurable change in eutectic microstructure. Thus, this theory does not explain the two fold decrease in MnBi fiber size and spacing observed when MnBi-Bi is solidified in space or on Earth with a magnetic field applied. Attention was turned to the morphology of the MnBi-Bi interface and to the generation of freezing rate fluctuations by convection. Decanting the melt during solidification of MnBi-Bi eutectic showed that the MnBi phase projects into the melt ahead of the Bi matrix. Temperature measurements in a Bi melt in the vertical Bridgman-Stockbarger configuration showed temperature variations of up to 25 C. Conclusions are drawn and discussed.

Deionization shocks in microstructures

NASA Astrophysics Data System (ADS)

Mani, Ali; Bazant, Martin Z.

2011-12-01

Salt transport in bulk electrolytes is limited by diffusion and advection, but in microstructures with charged surfaces (e.g., microfluidic devices, porous media, soils, or biological tissues) surface conduction and electro-osmotic flow also contribute to ionic fluxes. For small applied voltages, these effects lead to well known linear electrokinetic phenomena. In this paper, we predict some surprising nonlinear dynamics that can result from the competition between bulk and interfacial transport at higher voltages. When counterions are selectively removed by a membrane or electrode, a “deionization shock” can propagate through the microstructure, leaving in its wake an ultrapure solution, nearly devoid of coions and colloidal impurities. We elucidate the basic physics of deionization shocks and develop a mathematical theory of their existence, structure, and stability, allowing for slow variations in surface charge or channel geometry. Via asymptotic approximations and similarity solutions, we show that deionization shocks accelerate and sharpen in narrowing channels, while they decelerate and weaken, and sometimes disappear, in widening channels. These phenomena may find applications in separations (deionization, decontamination, biological assays) and energy storage (batteries, supercapacitors) involving electrolytes in microstructures.

Predicting Stress vs. Strain Behaviors of Thin-Walled High Pressure Die Cast Magnesium Alloy with Actual Pore Distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Kyoo Sil; Barker, Erin; Cheng, Guang

2016-01-06

In this paper, a three-dimensional (3D) microstructure-based finite element modeling method (i.e., extrinsic modeling method) is developed, which can be used in examining the effects of porosity on the ductility/fracture of Mg castings. For this purpose, AM60 Mg tensile samples were generated under high-pressure die-casting in a specially-designed mold. Before the tensile test, the samples were CT-scanned to obtain the pore distributions within the samples. 3D microstructure-based finite element models were then developed based on the obtained actual pore distributions of the gauge area. The input properties for the matrix material were determined by fitting the simulation result to themore » experimental result of a selected sample, and then used for all the other samples’ simulation. The results show that the ductility and fracture locations predicted from simulations agree well with the experimental results. This indicates that the developed 3D extrinsic modeling method may be used to examine the influence of various aspects of pore sizes/distributions as well as intrinsic properties (i.e., matrix properties) on the ductility/fracture of Mg castings.« less

Multi-Scale Computational Modeling of Two-Phased Metal Using GMC Method

NASA Technical Reports Server (NTRS)

Moghaddam, Masoud Ghorbani; Achuthan, A.; Bednacyk, B. A.; Arnold, S. M.; Pineda, E. J.

2014-01-01

A multi-scale computational model for determining plastic behavior in two-phased CMSX-4 Ni-based superalloys is developed on a finite element analysis (FEA) framework employing crystal plasticity constitutive model that can capture the microstructural scale stress field. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, GMC as stand-alone is validated by analyzing a repeating unit cell (RUC) as a two-phased sample with 72.9% volume fraction of gamma'-precipitate in the gamma-matrix phase and comparing the results with those predicted by finite element analysis (FEA) models incorporating the same crystal plasticity constitutive model. The global stress-strain behavior and the local field quantity distributions predicted by GMC demonstrated good agreement with FEA. High computational saving, at the expense of some accuracy in the components of local tensor field quantities, was obtained with GMC. Finally, the capability of the developed multi-scale model linking FEA and GMC to solve real life sized structures is demonstrated by analyzing an engine disc component and determining the microstructural scale details of the field quantities.

Grain Floatation During Equiaxed Solidification of an Al-Cu Alloy in a Side-Cooled Cavity: Part II—Numerical Studies

NASA Astrophysics Data System (ADS)

Kumar, Arvind; Walker, Mike J.; Sundarraj, Suresh; Dutta, Pradip

2011-08-01

In this article, a single-phase, one-domain macroscopic model is developed for studying binary alloy solidification with moving equiaxed solid phase, along with the associated transport phenomena. In this model, issues such as thermosolutal convection, motion of solid phase relative to liquid and viscosity variations of the solid-liquid mixture with solid fraction in the mobile zone are taken into account. Using the model, the associated transport phenomena during solidification of Al-Cu alloys in a rectangular cavity are predicted. The results for temperature variation, segregation patterns, and eutectic fraction distribution are compared with data from in-house experiments. The model predictions compare well with the experimental results. To highlight the influence of solid phase movement on convection and final macrosegregation, the results of the current model are also compared with those obtained from the conventional solidification model with stationary solid phase. By including the independent movement of the solid phase into the fluid transport model, better predictions of macrosegregation, microstructure, and even shrinkage locations were obtained. Mechanical property prediction models based on microstructure will benefit from the improved accuracy of this model.

A study on the influence of microstructure on small fatigue cracks

NASA Astrophysics Data System (ADS)

Castelluccio, Gustavo M.

In spite of its significance in industrial applications, the prediction of the influence of microstructure on the early stages of crack formation and growth in engineering alloys remains underdeveloped. The formation and early growth of fatigue cracks in the high cycle fatigue regime lasts for much of the fatigue life, and it is strongly influenced by microstructural features such as grain size, twins and morphological and crystallographic texture. However, most fatigue models do not predict the in uence of the microstructure on early stages of crack formation, or they employ parameters that should be calibrated with experimental data from specimens with microstructures of interest. These post facto strategies are adequate to characterize materials, but they are not fully appropriate to aid in the design of fatigue-resistant engineering alloys. This thesis considers finite element computational models that explicitly render the microstructure of selected FCC metallic systems and introduces a fatigue methodology that estimates transgranular and intergranular fatigue growth for microstructurally small cracks. The driving forces for both failure modes are assessed by means of fatigue indicators, which are used along with life correlations to estimate the fatigue life. Furthermore, cracks with meandering paths are modeled by considering crack growth on a grain-by-grain basis with a damage model embedded analytically to account for stress and strain redistribution as the cracks extend. The methodology is implemented using a crystal plasticity constitutive model calibrated for studying the effect of microstructure on early fatigue life of a powder processed Ni-base RR1000 superalloy at elevated temperature under high cycle fatigue conditions. This alloy is employed for aircraft turbine engine disks, which undergo a thermomechanical production process to produce a controlled bimodal grain size distribution. The prediction of the fatigue life for this complex microstructure presents particular challenges that are discussed and addressed. The conclusions of this work describe the mechanistic of microstructural small crack. In particular, the fatigue crack growth driving force has been characterized as it evolves within grains and crosses to other grains. Furthermore, the computational models serve as a tool to assess the effects of microstructural features on early stages of fatigue crack formation and growth, such as distributions of grain size and twins.

Microstructure and Property Evolution in Advanced Cladding and Duct Materials Under Long-Term and Elevated Temperature Irradiation: Modeling and Experimental Investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wirth, Brian; Morgan, Dane; Kaoumi, Djamel

2013-12-01

The in-service degradation of reactor core materials is related to underlying changes in the irradiated microstructure. During reactor operation, structural components and cladding experience displacement of atoms by collisions with neutrons at temperatures at which the radiation-induced defects are mobile, leading to microstructure evolution under irradiation that can degrade material properties. At the doses and temperatures relevant to fast reactor operation, the microstructure evolves by dislocation loop formation and growth, microchemistry changes due to radiation-induced segregation, radiation-induced precipitation, destabilization of the existing precipitate structure, and in some cases, void formation and growth. These processes do not occur independently; rather, theirmore » evolution is highly interlinked. Radiationinduced segregation of Cr and existing chromium carbide coverage in irradiated alloy T91 track each other closely. The radiation-induced precipitation of Ni-Si precipitates and RIS of Ni and Si in alloys T91 and HCM12A are likely related. Neither the evolution of these processes nor their coupling is understood under the conditions required for materials performance in fast reactors (temperature range 300-600°C and doses beyond 200 dpa). Further, predictive modeling is not yet possible as models for microstructure evolution must be developed along with experiments to characterize these key processes and provide tools for extrapolation. To extend the range of operation of nuclear fuel cladding and structural materials in advanced nuclear energy and transmutation systems to that required for the fast reactor, the irradiation-induced evolution of the microstructure, microchemistry, and the associated mechanical properties at relevant temperatures and doses must be understood. Predictive modeling relies on an understanding of the physical processes and also on the development of microstructure and microchemical models to describe their evolution under irradiation. This project will focus on modeling microstructural and microchemical evolution of irradiated alloys by performing detailed modeling of such microstructure evolution processes coupled with well-designed in situ experiments that can provide validation and benchmarking to the computer codes. The broad scientific and technical objectives of this proposal are to evaluate the microstructure and microchemical evolution in advanced ferritic/martensitic and oxide dispersion strengthened (ODS) alloys for cladding and duct reactor materials under long-term and elevated temperature irradiation, leading to improved ability to model structural materials performance and lifetime. Specifically, we propose four research thrusts, namely Thrust 1: Identify the formation mechanism and evolution for dislocation loops with Burgers vector of a<100> and determine whether the defect microstructure (predominately dislocation loop/dislocation density) saturates at high dose. Thrust 2: Identify whether a threshold irradiation temperature or dose exists for the nucleation of growing voids that mark the beginning of irradiation-induced swelling, and begin to probe the limits of thermal stability of the tempered Martensitic structure under irradiation. Thrust 3: Evaluate the stability of nanometer sized Y- Ti-O based oxide dispersion strengthened (ODS) particles at high fluence/temperature. Thrust 4: Evaluate the extent to which precipitates form and/or dissolve as a function of irradiation temperature and dose, and how these changes are driven by radiation induced segregation and microchemical evolutions and determined by the initial microstructure.« less

Data-Driven Correlation Analysis Between Observed 3D Fatigue-Crack Path and Computed Fields from High-Fidelity, Crystal-Plasticity, Finite-Element Simulations

NASA Astrophysics Data System (ADS)

Pierson, Kyle D.; Hochhalter, Jacob D.; Spear, Ashley D.

2018-05-01

Systematic correlation analysis was performed between simulated micromechanical fields in an uncracked polycrystal and the known path of an eventual fatigue-crack surface based on experimental observation. Concurrent multiscale finite-element simulation of cyclic loading was performed using a high-fidelity representation of grain structure obtained from near-field high-energy x-ray diffraction microscopy measurements. An algorithm was developed to parameterize and systematically correlate the three-dimensional (3D) micromechanical fields from simulation with the 3D fatigue-failure surface from experiment. For comparison, correlation coefficients were also computed between the micromechanical fields and hypothetical, alternative surfaces. The correlation of the fields with hypothetical surfaces was found to be consistently weaker than that with the known crack surface, suggesting that the micromechanical fields of the cyclically loaded, uncracked microstructure might provide some degree of predictiveness for microstructurally small fatigue-crack paths, although the extent of such predictiveness remains to be tested. In general, gradients of the field variables exhibit stronger correlations with crack path than the field variables themselves. Results from the data-driven approach implemented here can be leveraged in future model development for prediction of fatigue-failure surfaces (for example, to facilitate univariate feature selection required by convolution-based models).

Thick thermal barrier coatings for diesel engines

NASA Technical Reports Server (NTRS)

Beardsley, M. Brad

1995-01-01

Caterpillar's approach to applying thick thermal barrier coatings (TTBC's) to diesel engine combustion chambers has been to use advanced modeling techniques to predict engine conditions and combine this information with fundamental property evaluation of TTBC systems to predict engine performance and TTBC stress states. Engine testing has been used to verify the predicted performance of the TTBC systems and provide information on failure mechanisms. The objective Caterpillar's program to date has been to advance the fundamental understanding of thick thermal barrier coating systems. Previous reviews of thermal barrier coating technology concluded that the current level of understanding of coating system behavior is inadequate and the lack of fundamental understanding may impeded the application of TTBC's to diesel engines. Areas of TTBC technology being examined in this program include powder characteristics and chemistry; bond coat composition; coating design, microstructure, and thickness as they affect properties, durability, and reliability; and TTBC 'aging' effects (microstructural and property changes) under diesel engine operating conditions. Methods to evaluate the reliability and durability of TTBC's have been developed that attempt to understand the fundamental strength of TTBC's for particular stress states.

Thick thermal barrier coatings for diesel engines

NASA Technical Reports Server (NTRS)

Beardsley, M. B.

1995-01-01

Caterpillar's approach to applying Thick Thermal Barrier Coatings (TTBC's) to diesel engine combustion chambers has been to use advanced modeling techniques to predict engine conditions and combine this information with fundamental property evaluation of TTBC systems to predict engine performance and TTBC stress states. Engine testing has been used to verify the predicted performance of the TTBC systems and provide information on failure mechanisms. The objective of Caterpillar's subcontract with ORNL is to advance the fundamental understanding of thick thermal barrier coating systems. Previous reviews of thermal barrier coating technology concluded that the current level of understanding of coating system behavior is inadequate and the lack of fundamental understanding may impede the application of TTBC's to diesel engines. Areas of TTBC technology being examined in this program include powder characteristics and chemistry; bond coat composition; coating design, microstructure, and thickness as they affect properties, durability, and reliability; and TTBC 'aging' effects (microstructural and property changes) under diesel engine operating conditions. Methods to evaluate the reliability and durability of TTBC's have been developed that attempt to understand the fundamental strength of TTBC's for particular stress states.

Freeze cast porous barium titanate for enhanced piezoelectric energy harvesting

NASA Astrophysics Data System (ADS)

Roscow, J. I.; Zhang, Y.; Kraśny, M. J.; Lewis, R. W. C.; Taylor, J.; Bowen, C. R.

2018-06-01

Energy harvesting is an important developing technology for a new generation of self-powered sensor networks. This paper demonstrates the significant improvement in the piezoelectric energy harvesting performance of barium titanate by forming highly aligned porosity using freeze casting. Firstly, a finite element model demonstrating the effect of pore morphology and angle with respect to poling field on the poling behaviour of porous ferroelectrics was developed. A second model was then developed to understand the influence of microstructure-property relationships on the poling behaviour of porous freeze cast ferroelectric materials and their resultant piezoelectric and energy harvesting properties. To compare with model predictions, porous barium titanate was fabricated using freeze casting to form highly aligned microstructures with excellent longitudinal piezoelectric strain coefficients, d 33. The freeze cast barium titanate with 45 vol.% porosity had a d 33  =  134.5 pC N‑1 compared to d 33  =  144.5 pC N‑1 for dense barium titanate. The d 33 coefficients of the freeze cast materials were also higher than materials with uniformly distributed spherical porosity due to improved poling of the aligned microstructures, as predicted by the models. Both model and experimental data indicated that introducing porosity provides a large reduction in the permittivity () of barium titanate, which leads to a substantial increase in energy harvesting figure of merit, , with a maximum of 3.79 pm2 N‑1 for barium titanate with 45 vol.% porosity, compared to only 1.40 pm2 N‑1 for dense barium titanate. Dense and porous barium titanate materials were then used to harvest energy from a mechanical excitation by rectification and storage of the piezoelectric charge on a capacitor. The porous barium titanate charged the capacitor to a voltage of 234 mV compared to 96 mV for the dense material, indicating a 2.4-fold increase that was similar to that predicted by the energy harvesting figures of merit.

Microscale Modeling of Porous Thermal Protection System Materials

NASA Astrophysics Data System (ADS)

Stern, Eric C.

Ablative thermal protection system (TPS) materials play a vital role in the design of entry vehicles. Most simulation tools for ablative TPS in use today take a macroscopic approach to modeling, which involves heavy empiricism. Recent work has suggested improving the fidelity of the simulations by taking a multi-scale approach to the physics of ablation. In this work, a new approach for modeling ablative TPS at the microscale is proposed, and its feasibility and utility is assessed. This approach uses the Direct Simulation Monte Carlo (DSMC) method to simulate the gas flow through the microstructure, as well as the gas-surface interaction. Application of the DSMC method to this problem allows the gas phase dynamics---which are often rarefied---to be modeled to a high degree of fidelity. Furthermore this method allows for sophisticated gas-surface interaction models to be implemented. In order to test this approach for realistic materials, a method for generating artificial microstructures which emulate those found in spacecraft TPS is developed. Additionally, a novel approach for allowing the surface to move under the influence of chemical reactions at the surface is developed. This approach is shown to be efficient and robust for performing coupled simulation of the oxidation of carbon fibers. The microscale modeling approach is first applied to simulating the steady flow of gas through the porous medium. Predictions of Darcy permeability for an idealized microstructure agree with empirical correlations from the literature, as well as with predictions from computational fluid dynamics (CFD) when the continuum assumption is valid. Expected departures are observed for conditions at which the continuum assumption no longer holds. Comparisons of simulations using a fabricated microstructure to experimental data for a real spacecraft TPS material show good agreement when similar microstructural parameters are used to build the geometry. The approach is then applied to investigating the ablation of porous materials through oxidation. A simple gas surface interaction model is described, and an approach for coupling the surface reconstruction algorithm to the DSMC method is outlined. Simulations of single carbon fibers at representative conditions suggest this approach to be feasible for simulating the ablation of porous TPS materials at scale. Additionally, the effect of various simulation parameters on in-depth morphology is investigated for random fibrous microstructures.

Solubility prediction of naphthalene in carbon dioxide from crystal microstructure

NASA Astrophysics Data System (ADS)

Sang, Jiarong; Jin, Junsu; Mi, Jianguo

2018-03-01

Crystals dissolved in solvents are ubiquitous in both natural and artificial systems. Due to the complicated structures and asymmetric interactions between the crystal and solvent, it is difficult to interpret the dissolution mechanism and predict solubility using traditional theories and models. Here we use the classical density functional theory (DFT) to describe the crystal dissolution behavior. As an example, naphthalene dissolved in carbon dioxide (CO2) is considered within the DFT framework. The unit cell dimensions and microstructure of crystalline naphthalene are determined by minimizing the free-energy of the crystal. According to the microstructure, the solubilities of naphthalene in CO2 are predicted based on the equality of naphthalene's chemical potential in crystal and solution phases, and the interfacial structures and free-energies between different crystal planes and solution are determined to investigate the dissolution mechanism at the molecular level. The theoretical predictions are in general agreement with the available experimental data, implying that the present model is quantitatively reliable in describing crystal dissolution.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Kandler A; Santhanagopalan, Shriram; Yang, Chuanbo

Computer models are helping to accelerate the design and validation of next generation batteries and provide valuable insights not possible through experimental testing alone. Validated 3-D physics-based models exist for predicting electrochemical performance, thermal and mechanical response of cells and packs under normal and abuse scenarios. The talk describes present efforts to make the models better suited for engineering design, including improving their computation speed, developing faster processes for model parameter identification including under aging, and predicting the performance of a proposed electrode material recipe a priori using microstructure models.

Influence of microscopic strain heterogeneity on the formability of martensitic stainless steel

NASA Astrophysics Data System (ADS)

Bettanini, Alvise Miotti; Delannay, Laurent; Jacques, Pascal J.; Pardoen, Thomas; Badinier, Guillaume; Mithieux, Jean-Denis

2017-10-01

Both finite element modeling and mean field (Mori-Tanaka) modeling are used to predict the strain partitioning in the martensite-ferrite microstructure of an AISI 410 martensitic stainless steel. Numerical predictions reproduce experimental trends according to which macroscopic strength is increased when the dissolution of carbides leads to carbon enrichment of martensite. However, the increased strength contrast of ferrite and martensite favours strain localization and high stress triaxiality in ferrite, which in turn promotes ductile damage development.

Microstructure based procedure for process parameter control in rolling of aluminum thin foils

NASA Astrophysics Data System (ADS)

Johannes, Kronsteiner; Kabliman, Evgeniya; Klimek, Philipp-Christoph

2018-05-01

In present work, a microstructure based procedure is used for a numerical prediction of strength properties for Al-Mg-Sc thin foils during a hot rolling process. For this purpose, the following techniques were developed and implemented. At first, a toolkit for a numerical analysis of experimental stress-strain curves obtained during a hot compression testing by a deformation dilatometer was developed. The implemented techniques allow for the correction of a temperature increase in samples due to adiabatic heating and for the determination of a yield strength needed for the separation of the elastic and plastic deformation regimes during numerical simulation of multi-pass hot rolling. At the next step, an asymmetric Hot Rolling Simulator (adjustable table inlet/outlet height as well as separate roll infeed) was developed in order to match the exact processing conditions of a semi-industrial rolling procedure. At each element of a finite element mesh the total strength is calculated by in-house Flow Stress Model based on evolution of mean dislocation density. The strength values obtained by numerical modelling were found in a reasonable agreement with results of tensile tests for thin Al-Mg-Sc foils. Thus, the proposed simulation procedure might allow to optimize the processing parameters with respect to the microstructure development.

The role of tissue microstructure and water exchange in biophysical modelling of diffusion in white matter.

PubMed

Nilsson, Markus; van Westen, Danielle; Ståhlberg, Freddy; Sundgren, Pia C; Lätt, Jimmy

2013-08-01

Biophysical models that describe the outcome of white matter diffusion MRI experiments have various degrees of complexity. While the simplest models assume equal-sized and parallel axons, more elaborate ones may include distributions of axon diameters and axonal orientation dispersions. These microstructural features can be inferred from diffusion-weighted signal attenuation curves by solving an inverse problem, validated in several Monte Carlo simulation studies. Model development has been paralleled by microscopy studies of the microstructure of excised and fixed nerves, confirming that axon diameter estimates from diffusion measurements agree with those from microscopy. However, results obtained in vivo are less conclusive. For example, the amount of slowly diffusing water is lower than expected, and the diffusion-encoded signal is apparently insensitive to diffusion time variations, contrary to what may be expected. Recent understandings of the resolution limit in diffusion MRI, the rate of water exchange, and the presence of microscopic axonal undulation and axonal orientation dispersions may, however, explain such apparent contradictions. Knowledge of the effects of biophysical mechanisms on water diffusion in tissue can be used to predict the outcome of diffusion tensor imaging (DTI) and of diffusion kurtosis imaging (DKI) studies. Alterations of DTI or DKI parameters found in studies of pathologies such as ischemic stroke can thus be compared with those predicted by modelling. Observations in agreement with the predictions strengthen the credibility of biophysical models; those in disagreement could provide clues of how to improve them. DKI is particularly suited for this purpose; it is performed using higher b-values than DTI, and thus carries more information about the tissue microstructure. The purpose of this review is to provide an update on the current understanding of how various properties of the tissue microstructure and the rate of water exchange between microenvironments are reflected in diffusion MRI measurements. We focus on the use of biophysical models for extracting tissue-specific parameters from data obtained with single PGSE sequences on clinical MRI scanners, but results obtained with animal MRI scanners are also considered. While modelling of white matter is the central theme, experiments on model systems that highlight important aspects of the biophysical models are also reviewed.

Connectivity Measures in EEG Microstructural Sleep Elements.

PubMed

Sakellariou, Dimitris; Koupparis, Andreas M; Kokkinos, Vasileios; Koutroumanidis, Michalis; Kostopoulos, George K

2016-01-01

During Non-Rapid Eye Movement sleep (NREM) the brain is relatively disconnected from the environment, while connectedness between brain areas is also decreased. Evidence indicates, that these dynamic connectivity changes are delivered by microstructural elements of sleep: short periods of environmental stimuli evaluation followed by sleep promoting procedures. The connectivity patterns of the latter, among other aspects of sleep microstructure, are still to be fully elucidated. We suggest here a methodology for the assessment and investigation of the connectivity patterns of EEG microstructural elements, such as sleep spindles. The methodology combines techniques in the preprocessing, estimation, error assessing and visualization of results levels in order to allow the detailed examination of the connectivity aspects (levels and directionality of information flow) over frequency and time with notable resolution, while dealing with the volume conduction and EEG reference assessment. The high temporal and frequency resolution of the methodology will allow the association between the microelements and the dynamically forming networks that characterize them, and consequently possibly reveal aspects of the EEG microstructure. The proposed methodology is initially tested on artificially generated signals for proof of concept and subsequently applied to real EEG recordings via a custom built MATLAB-based tool developed for such studies. Preliminary results from 843 fast sleep spindles recorded in whole night sleep of 5 healthy volunteers indicate a prevailing pattern of interactions between centroparietal and frontal regions. We demonstrate hereby, an opening to our knowledge attempt to estimate the scalp EEG connectivity that characterizes fast sleep spindles via an "EEG-element connectivity" methodology we propose. The application of the latter, via a computational tool we developed suggests it is able to investigate the connectivity patterns related to the occurrence of EEG microstructural elements. Network characterization of specified physiological or pathological EEG microstructural elements can potentially be of great importance in the understanding, identification, and prediction of health and disease.

Connectivity Measures in EEG Microstructural Sleep Elements

PubMed Central

Sakellariou, Dimitris; Koupparis, Andreas M.; Kokkinos, Vasileios; Koutroumanidis, Michalis; Kostopoulos, George K.

2016-01-01

During Non-Rapid Eye Movement sleep (NREM) the brain is relatively disconnected from the environment, while connectedness between brain areas is also decreased. Evidence indicates, that these dynamic connectivity changes are delivered by microstructural elements of sleep: short periods of environmental stimuli evaluation followed by sleep promoting procedures. The connectivity patterns of the latter, among other aspects of sleep microstructure, are still to be fully elucidated. We suggest here a methodology for the assessment and investigation of the connectivity patterns of EEG microstructural elements, such as sleep spindles. The methodology combines techniques in the preprocessing, estimation, error assessing and visualization of results levels in order to allow the detailed examination of the connectivity aspects (levels and directionality of information flow) over frequency and time with notable resolution, while dealing with the volume conduction and EEG reference assessment. The high temporal and frequency resolution of the methodology will allow the association between the microelements and the dynamically forming networks that characterize them, and consequently possibly reveal aspects of the EEG microstructure. The proposed methodology is initially tested on artificially generated signals for proof of concept and subsequently applied to real EEG recordings via a custom built MATLAB-based tool developed for such studies. Preliminary results from 843 fast sleep spindles recorded in whole night sleep of 5 healthy volunteers indicate a prevailing pattern of interactions between centroparietal and frontal regions. We demonstrate hereby, an opening to our knowledge attempt to estimate the scalp EEG connectivity that characterizes fast sleep spindles via an “EEG-element connectivity” methodology we propose. The application of the latter, via a computational tool we developed suggests it is able to investigate the connectivity patterns related to the occurrence of EEG microstructural elements. Network characterization of specified physiological or pathological EEG microstructural elements can potentially be of great importance in the understanding, identification, and prediction of health and disease. PMID:26924980

Effect of convection on the microstructure of the MnBi/Bi eutectic

NASA Technical Reports Server (NTRS)

Eisa, Gaber Faheem; Wilcox, william R.; Busch, Garrett

1986-01-01

For the quasi-regular fibrous microstructure of MnBi formed at freezing rates of 9 mm/h and above, good agreement between experimental and theoretical results for fiber spacing, freezing rate, radial position, and ampoule rotation rate is found. For the irregular blade-like microstructure formed at lower freezing rates, convection is found to coarsen the microstructure somwhat more than predicted. The volume fraction of MnBi was also shown to depend on ampoule rotation and radial position, even in the absence of ampoule rotation. The two-fold finer microstructure observed in space-processed material could not be explained by the elimination of buoyancy-driven natural convection.

Microstructural Quantification, Property Prediction, and Stochastic Reconstruction of Heterogeneous Materials Using Limited X-Ray Tomography Data

NASA Astrophysics Data System (ADS)

Li, Hechao

An accurate knowledge of the complex microstructure of a heterogeneous material is crucial for quantitative structure-property relations establishment and its performance prediction and optimization. X-ray tomography has provided a non-destructive means for microstructure characterization in both 3D and 4D (i.e., structural evolution over time). Traditional reconstruction algorithms like filtered-back-projection (FBP) method or algebraic reconstruction techniques (ART) require huge number of tomographic projections and segmentation process before conducting microstructural quantification. This can be quite time consuming and computationally intensive. In this thesis, a novel procedure is first presented that allows one to directly extract key structural information in forms of spatial correlation functions from limited x-ray tomography data. The key component of the procedure is the computation of a "probability map", which provides the probability of an arbitrary point in the material system belonging to specific phase. The correlation functions of interest are then readily computed from the probability map. Using effective medium theory, accurate predictions of physical properties (e.g., elastic moduli) can be obtained. Secondly, a stochastic optimization procedure that enables one to accurately reconstruct material microstructure from a small number of x-ray tomographic projections (e.g., 20 - 40) is presented. Moreover, a stochastic procedure for multi-modal data fusion is proposed, where both X-ray projections and correlation functions computed from limited 2D optical images are fused to accurately reconstruct complex heterogeneous materials in 3D. This multi-modal reconstruction algorithm is proved to be able to integrate the complementary data to perform an excellent optimization procedure, which indicates its high efficiency in using limited structural information. Finally, the accuracy of the stochastic reconstruction procedure using limited X-ray projection data is ascertained by analyzing the microstructural degeneracy and the roughness of energy landscape associated with different number of projections. Ground-state degeneracy of a microstructure is found to decrease with increasing number of projections, which indicates a higher probability that the reconstructed configurations match the actual microstructure. The roughness of energy landscape can also provide information about the complexity and convergence behavior of the reconstruction for given microstructures and projection number.

Multiscale crystal defect dynamics: A coarse-grained lattice defect model based on crystal microstructure

NASA Astrophysics Data System (ADS)

Lyu, Dandan; Li, Shaofan

2017-10-01

Crystal defects have microstructure, and this microstructure should be related to the microstructure of the original crystal. Hence each type of crystals may have similar defects due to the same failure mechanism originated from the same microstructure, if they are under the same loading conditions. In this work, we propose a multiscale crystal defect dynamics (MCDD) model that models defects by considering its intrinsic microstructure derived from the microstructure or material genome of the original perfect crystal. The main novelties of present work are: (1) the discrete exterior calculus and algebraic topology theory are used to construct a scale-up (coarse-grained) dual lattice model for crystal defects, which may represent all possible defect modes inside a crystal; (2) a higher order Cauchy-Born rule (up to the fourth order) is adopted to construct atomistic-informed constitutive relations for various defect process zones, and (3) an hierarchical strain gradient theory based finite element formulation is developed to support an hierarchical multiscale cohesive (process) zone model for various defects in a unified formulation. The efficiency of MCDD computational algorithm allows us to simulate dynamic defect evolution at large scale while taking into account atomistic interaction. The MCDD model has been validated by comparing of the results of MCDD simulations with that of molecular dynamics (MD) in the cases of nanoindentation and uniaxial tension. Numerical simulations have shown that MCDD model can predict dislocation nucleation induced instability and inelastic deformation, and thus it may provide an alternative solution to study crystal plasticity.

Ultrasound scatter in heterogeneous 3D microstructures: Parameters affecting multiple scattering

NASA Astrophysics Data System (ADS)

Engle, B. J.; Roberts, R. A.; Grandin, R. J.

2018-04-01

This paper reports on a computational study of ultrasound propagation in heterogeneous metal microstructures. Random spatial fluctuations in elastic properties over a range of length scales relative to ultrasound wavelength can give rise to scatter-induced attenuation, backscatter noise, and phase front aberration. It is of interest to quantify the dependence of these phenomena on the microstructure parameters, for the purpose of quantifying deleterious consequences on flaw detectability, and for the purpose of material characterization. Valuable tools for estimation of microstructure parameters (e.g. grain size) through analysis of ultrasound backscatter have been developed based on approximate weak-scattering models. While useful, it is understood that these tools display inherent inaccuracy when multiple scattering phenomena significantly contribute to the measurement. It is the goal of this work to supplement weak scattering model predictions with corrections derived through application of an exact computational scattering model to explicitly prescribed microstructures. The scattering problem is formulated as a volume integral equation (VIE) displaying a convolutional Green-function-derived kernel. The VIE is solved iteratively employing FFT-based con-volution. Realizations of random microstructures are specified on the micron scale using statistical property descriptions (e.g. grain size and orientation distributions), which are then spatially filtered to provide rigorously equivalent scattering media on a length scale relevant to ultrasound propagation. Scattering responses from ensembles of media representations are averaged to obtain mean and variance of quantities such as attenuation and backscatter noise levels, as a function of microstructure descriptors. The computational approach will be summarized, and examples of application will be presented.

Hot isostatic pressing (HIP) of powder mixtures and composites: Packing, densification, and microstructural effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, E.K.H.; Funkenbusch, P.D.

1993-06-01

Hot isostatic pressing (HIP) of powder mixtures (containing differently sized components) and of composite powders is analyzed. Recent progress, including development of a simple scheme for estimating radial distribution functions, has made modeling of these systems practical. Experimentally, powders containing bimodal or continuous size distributions are observed to hot isostatically press to a higher density tinder identical processing conditions and to show large differences in the densification rate as a function of density when compared with the monosize powders usually assumed for modeling purposes. Modeling correctly predicts these trends and suggests that they can be partially, but not entirely, attributedmore » to initial packing density differences. Modeling also predicts increased deformation in the smaller particles within a mixture. This effect has also been observed experimentally and is associated with microstructural changes, such as preferential recrystallization of small particles. Finally, consolidation of a composite mixture containing hard, but deformable, inclusions has been modeled for comparison with existing experimental data. Modeling results match both the densification and microstructural observations reported experimentally. Densification is retarded due to contacts between the reinforcing particles which support a significant portion of the applied pressure. In addition, partitioning of deformation between soft matrix and hard inclusion powders results in increased deformation of the softer material.« less

Whole-brain grey matter density predicts balance stability irrespective of age and protects older adults from falling.

PubMed

Boisgontier, Matthieu P; Cheval, Boris; van Ruitenbeek, Peter; Levin, Oron; Renaud, Olivier; Chanal, Julien; Swinnen, Stephan P

2016-03-01

Functional and structural imaging studies have demonstrated the involvement of the brain in balance control. Nevertheless, how decisive grey matter density and white matter microstructural organisation are in predicting balance stability, and especially when linked to the effects of ageing, remains unclear. Standing balance was tested on a platform moving at different frequencies and amplitudes in 30 young and 30 older adults, with eyes open and with eyes closed. Centre of pressure variance was used as an indicator of balance instability. The mean density of grey matter and mean white matter microstructural organisation were measured using voxel-based morphometry and diffusion tensor imaging, respectively. Mixed-effects models were built to analyse the extent to which age, grey matter density, and white matter microstructural organisation predicted balance instability. Results showed that both grey matter density and age independently predicted balance instability. These predictions were reinforced when the level of difficulty of the conditions increased. Furthermore, grey matter predicted balance instability beyond age and at least as consistently as age across conditions. In other words, for balance stability, the level of whole-brain grey matter density is at least as decisive as being young or old. Finally, brain grey matter appeared to be protective against falls in older adults as age increased the probability of losing balance in older adults with low, but not moderate or high grey matter density. No such results were observed for white matter microstructural organisation, thereby reinforcing the specificity of our grey matter findings. Copyright © 2016 Elsevier B.V. All rights reserved.

Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang Y.; Sun, Xin

2011-06-15

Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubblemore » evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux, and sink strength of interstitial loop for interstitials. In part II, we present a generic phase field model and discuss the thermodynamic and kinetic properties in phase-field models including the reaction kinetics of radiation defects and local free energy of irradiated materials. In particular, a two-sublattice thermodynamic model is suggested to describe the local free energy of alloys with irradiated defects. Fe-Cr alloy is taken as an example to explain the required thermodynamic and kinetic properties for quantitative phase-field modeling. Finally the great challenges in phase-field modeling will be discussed.« less

TAOI B- Computational Microstructural Optimization Design Tool for High Temperature Structural Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mishra, Rajiv; Charit, Indrajit

2015-02-28

The objectives of this research were two-fold: (a) develop a methodology for microstructural optimization of alloys - genetic algorithm approach for alloy microstructural optimization using theoretical models based on fundamental micro-mechanisms, and (b) develop a new computationally designed Ni-Cr alloy for coal-fired power plant applications. The broader outcome of these objectives is expected to be creation of an integrated approach for ‘structural materials by microstructural design’. Three alloy systems were considered for computational optimization and validation, (i) Ni-20Cr (wt.%) base alloy using only solid solution strengthening, (ii) nano-Y2O3 containing Ni-20Cr-1.2Y2O3 (wt.%) alloy for dispersion strengthening and (iii) a sub-micron Al2O3more » for composite strengthening, Ni-20Cr-1.2Y2O3-5.0Al2O3 (wt.%). The specimens were synthesized by mechanical alloying and consolidated using spark plasma sintering. Detailed microstructural characterization was done along with initial mechanical properties to validate the computational prediction. A key target property is to have creep rate of 1x10-9 s-1 at 100 MPa and 800oC. The initial results were quite promising and require additional quantification of strengthening contributions from dislocation-particle attractive interaction and load transfer. The observed creep rate was in order of 10-9 s-1 for longer time creep test of Ni-20Cr -1.2Y2O3-5Al2O3, lending support to the overall approach pursued in this project.« less

Applying neutron transmission physics and 3D statistical full-field model to understand 2D Bragg-edge imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Qingge; Song, Gian; Gorti, Sarma B.

Bragg-edge imaging, which is also known as neutron radiography, has recently emerged as a novel crystalline characterization technique. Modelling of this novel technique by incorporating various features of the underlying microstructure (including the crystallographic texture, the morphological texture, and the grain size) of the material remains a subject of considerable research and development. In this paper, Inconel 718 samples made by additive manufacturing were investigated by neutron diffraction and neutron radiography techniques. The specimen features strong morphological and crystallographic textures and a highly heterogeneous microstructure. A 3D statistical full-field model is introduced by taking details of the microstructure into accountmore » to understand the experimental neutron radiography results. The Bragg-edge imaging and the total cross section were calculated based on the neutron transmission physics. A good match was obtained between the model predictions and experimental results at different incident beam angles with respect to the sample build direction. The current theoretical approach has the ability to incorporate 3D spatially resolved microstructural heterogeneity information and shows promise in understanding the 2D neutron radiography of bulk samples. With further development to incorporate the heterogeneity in lattice strain in the model, it can be used as a powerful tool in the future to better understand the neutron radiography data.« less

Applying neutron transmission physics and 3D statistical full-field model to understand 2D Bragg-edge imaging

DOE PAGES

Xie, Qingge; Song, Gian; Gorti, Sarma B.; ...

2018-02-21

Bragg-edge imaging, which is also known as neutron radiography, has recently emerged as a novel crystalline characterization technique. Modelling of this novel technique by incorporating various features of the underlying microstructure (including the crystallographic texture, the morphological texture, and the grain size) of the material remains a subject of considerable research and development. In this paper, Inconel 718 samples made by additive manufacturing were investigated by neutron diffraction and neutron radiography techniques. The specimen features strong morphological and crystallographic textures and a highly heterogeneous microstructure. A 3D statistical full-field model is introduced by taking details of the microstructure into accountmore » to understand the experimental neutron radiography results. The Bragg-edge imaging and the total cross section were calculated based on the neutron transmission physics. A good match was obtained between the model predictions and experimental results at different incident beam angles with respect to the sample build direction. The current theoretical approach has the ability to incorporate 3D spatially resolved microstructural heterogeneity information and shows promise in understanding the 2D neutron radiography of bulk samples. With further development to incorporate the heterogeneity in lattice strain in the model, it can be used as a powerful tool in the future to better understand the neutron radiography data.« less

Damage Evolution in Complex-Phase and Dual-Phase Steels during Edge Stretching.

PubMed

Pathak, Nikky; Butcher, Cliff; Worswick, Michael James; Bellhouse, Erika; Gao, Jeff

2017-03-27

The role of microstructural damage in controlling the edge stretchability of Complex-Phase (CP) and Dual-Phase (DP) steels was evaluated using hole tension experiments. The experiments considered a tensile specimen with a hole at the center of specimen that is either sheared (sheared edge condition) or drilled and then reamed (reamed edge condition). The damage mechanism and accumulation in the CP and DP steels were systematically characterized by interrupting the hole tension tests at different strain levels using scanning electron microscope (SEM) analysis and optical microscopy. Martensite cracking and decohesion of ferrite-martensite interfaces are the dominant nucleation mechanisms in the DP780. The primary source of void nucleation in the CP800 is nucleation at TiN particles, with secondary void formation at martensite/bainite interfaces near the failure strain. The rate of damage evolution is considerably higher for the sheared edge in contrast with the reamed edge since the shearing process alters the microstructure in the shear affected zone (SAZ) by introducing work-hardening and initial damage behind the sheared edge. The CP microstructures were shown to be less prone to shear-induced damage than the DP materials resulting in much higher sheared edge formability. Microstructural damage in the CP and DP steels was characterized to understand the interaction between microstructure, damage evolution and edge formability during edge stretching. An analytical model for void evolution and coalescence was developed and applied to predict the damage rate in these rather diverse microstructures.

Damage Evolution in Complex-Phase and Dual-Phase Steels during Edge Stretching

PubMed Central

Pathak, Nikky; Butcher, Cliff; Worswick, Michael James; Bellhouse, Erika; Gao, Jeff

2017-01-01

The role of microstructural damage in controlling the edge stretchability of Complex-Phase (CP) and Dual-Phase (DP) steels was evaluated using hole tension experiments. The experiments considered a tensile specimen with a hole at the center of specimen that is either sheared (sheared edge condition) or drilled and then reamed (reamed edge condition). The damage mechanism and accumulation in the CP and DP steels were systematically characterized by interrupting the hole tension tests at different strain levels using scanning electron microscope (SEM) analysis and optical microscopy. Martensite cracking and decohesion of ferrite-martensite interfaces are the dominant nucleation mechanisms in the DP780. The primary source of void nucleation in the CP800 is nucleation at TiN particles, with secondary void formation at martensite/bainite interfaces near the failure strain. The rate of damage evolution is considerably higher for the sheared edge in contrast with the reamed edge since the shearing process alters the microstructure in the shear affected zone (SAZ) by introducing work-hardening and initial damage behind the sheared edge. The CP microstructures were shown to be less prone to shear-induced damage than the DP materials resulting in much higher sheared edge formability. Microstructural damage in the CP and DP steels was characterized to understand the interaction between microstructure, damage evolution and edge formability during edge stretching. An analytical model for void evolution and coalescence was developed and applied to predict the damage rate in these rather diverse microstructures. PMID:28772707

Analytical Modeling and Performance Prediction of Remanufactured Gearbox Components

NASA Astrophysics Data System (ADS)

Pulikollu, Raja V.; Bolander, Nathan; Vijayakar, Sandeep; Spies, Matthew D.

Gearbox components operate in extreme environments, often leading to premature removal or overhaul. Though worn or damaged, these components still have the ability to function given the appropriate remanufacturing processes are deployed. Doing so reduces a significant amount of resources (time, materials, energy, manpower) otherwise required to produce a replacement part. Unfortunately, current design and analysis approaches require extensive testing and evaluation to validate the effectiveness and safety of a component that has been used in the field then processed outside of original OEM specification. To test all possible combination of component coupled with various levels of potential damage repaired through various options of processing would be an expensive and time consuming feat, thus prohibiting a broad deployment of remanufacturing processes across industry. However, such evaluation and validation can occur through Integrated Computational Materials Engineering (ICME) modeling and simulation. Sentient developed a microstructure-based component life prediction (CLP) tool to quantify and assist gearbox components remanufacturing process. This was achieved by modeling the design-manufacturing-microstructure-property relationship. The CLP tool assists in remanufacturing of high value, high demand rotorcraft, automotive and wind turbine gears and bearings. This paper summarizes the CLP models development, and validation efforts by comparing the simulation results with rotorcraft spiral bevel gear physical test data. CLP analyzes gear components and systems for safety, longevity, reliability and cost by predicting (1) New gearbox component performance, and optimal time-to-remanufacture (2) Qualification of used gearbox components for remanufacturing process (3) Predicting the remanufactured component performance.

Nonlinear oscillatory rheology and structure of wormlike micellar solutions and colloidal suspensions

NASA Astrophysics Data System (ADS)

Gurnon, Amanda Kate

The complex, nonlinear flow behavior of soft materials transcends industrial applications, smart material design and non-equilibrium thermodynamics. A long-standing, fundamental challenge in soft-matter science is establishing a quantitative connection between the deformation field, local microstructure and macroscopic dynamic flow properties i.e., the rheology. Soft materials are widely used in consumer products and industrial processes including energy recovery, surfactants for personal healthcare (e.g. soap and shampoo), coatings, plastics, drug delivery, medical devices and therapeutics. Oftentimes, these materials are processed by, used during, or exposed to non-equilibrium conditions for which the transient response of the complex fluid is critical. As such, designing new dynamic experiments is imperative to testing these materials and further developing micromechanical models to predict their transient response. Two of the most common classes of these soft materials stand as the focus of the present research; they are: solutions of polymer-like micelles (PLM or also known as wormlike micelles, WLM) and concentrated colloidal suspensions. In addition to their varied applications these two different classes of soft materials are also governed by different physics. In contrast, to the shear thinning behavior of the WLMs at high shear rates, the near hard-sphere colloidal suspensions are known to display increases, sometimes quite substantial, in viscosity (known as shear thickening). The stress response of these complex fluids derive from the shear-induced microstructure, thus measurements of the microstructure under flow are critical for understanding the mechanisms underlying the complex, nonlinear rheology of these complex fluids. A popular micromechanical model is reframed from its original derivation for predicting steady shear rheology of polymers and WLMs to be applicable to weakly nonlinear oscillatory shear flow. The validity, utility and limits of this constitutive model are tested by comparison with experiments on model WLM solutions. Further comparisons to the nonlinear oscillatory shear responses measured from colloidal suspensions establishes this analysis as a promising, quantitative method for understanding the underlying mechanisms responsible for the nonlinear dynamic response of complex fluids. A new experimental technique is developed to measure the microstructure of complex fluids during steady and transient shear flow using small-angle neutron scattering (SANS). The Flow-SANS experimental method is now available to the broader user communities at the NIST Center for Neutron Research, Gaithersburg, MD and the Institut Laue-Langevin, Grenoble, France. Using this new method, a model shear banding WLM solution is interrogated under steady and oscillatory shear. For the first time, the flow-SANS methods identify new metastable states for shear banding WLM solutions, thus establishing the method as capable of probing new states not accessible using traditional steady or linear oscillatory shear methods. The flow-induced three-dimensional microstructure of a colloidal suspension under steady and dynamic oscillatory shear is also measured using these rheo- and flow-SANS methods. A new structure state is identified in the shear thickening regime that proves critical for defining the "hydrocluster" microstructure state of the suspension that is responsible for shear thickening. For both the suspensions and the WLM solutions, stress-SANS rules with the measured microstructures define the individual stress components arising separately from conservative and hydrodynamic forces and these are compared with the macroscopic rheology. Analysis of these results defines the crucial length- and time-scales of the transient microstructure response. The novel dynamic microstructural measurements presented in this dissertation provide new insights into the complexities of shear thickening and shear banding flow phenomena, which are effects observed more broadly across many different types of soft materials. Consequently, the microstructure-rheology property relationships developed for these two classes of complex fluids will aid in the testing and advancement of micromechanical constitutive model development, smart material design, industrial processing and fundamental non-equilibrium thermodynamic research of a broad range of soft materials.

Application of an Elongated Kelvin Model to Space Shuttle Foams

NASA Technical Reports Server (NTRS)

Sullivan, Roy M.; Ghosn, Louis J.; Lerch, Bradley A.

2008-01-01

Spray-on foam insulation is applied to the exterior of the Space Shuttle s External Tank to limit propellant boil-off and to prevent ice formation. The Space Shuttle foams are rigid closed-cell polyurethane foams. The two foams used most extensively on the Space Shuttle External Tank are BX-265 and NCFI24-124. Since the catastrophic loss of the Space Shuttle Columbia, numerous studies have been conducted to mitigate the likelihood and the severity of foam shedding during the Shuttle s ascent to space. Due to the foaming and rising process, the foam microstructures are elongated in the rise direction. As a result, these two foams exhibit a non-isotropic mechanical behavior. In this paper, a detailed microstructural characterization of the two foams is presented. The key features of the foam cells are summarized and the average cell dimensions in the two foams are compared. Experimental studies to measure the room temperature mechanical response of the two foams in the two principal material directions (parallel to the rise and perpendicular to the rise) are also reported. The measured elastic modulus, proportional limit stress, ultimate tensile stress and the Poisson s ratios for the two foams are compared. The generalized elongated Kelvin foam model previously developed by the authors is reviewed and the equations which result from this model are presented. The resulting equations show that the ratio of the elastic modulus in the rise direction to that in the perpendicular-to-rise direction as well as the ratio of the strengths in the two material directions is only a function of the microstructural dimensions. Using the measured microstructural dimensions and the measured stiffness ratio, the foam tensile strength ratio and Poisson s ratios are predicted for both foams. The predicted tensile strength ratio is in close agreement with the measured strength ratios for both BX-265 and NCFI24-124. The comparison between the predicted Poisson s ratios and the measured values is not as favorable.

Multiscale Modeling of Structurally-Graded Materials Using Discrete Dislocation Plasticity Models and Continuum Crystal Plasticity Models

NASA Technical Reports Server (NTRS)

Saether, Erik; Hochhalter, Jacob D.; Glaessgen, Edward H.

2012-01-01

A multiscale modeling methodology that combines the predictive capability of discrete dislocation plasticity and the computational efficiency of continuum crystal plasticity is developed. Single crystal configurations of different grain sizes modeled with periodic boundary conditions are analyzed using discrete dislocation plasticity (DD) to obtain grain size-dependent stress-strain predictions. These relationships are mapped into crystal plasticity parameters to develop a multiscale DD/CP model for continuum level simulations. A polycrystal model of a structurally-graded microstructure is developed, analyzed and used as a benchmark for comparison between the multiscale DD/CP model and the DD predictions. The multiscale DD/CP model follows the DD predictions closely up to an initial peak stress and then follows a strain hardening path that is parallel but somewhat offset from the DD predictions. The difference is believed to be from a combination of the strain rate in the DD simulation and the inability of the DD/CP model to represent non-monotonic material response.

Osteoporosis imaging: effects of bone preservation on MDCT-based trabecular bone microstructure parameters and finite element models.

PubMed

Baum, Thomas; Grande Garcia, Eduardo; Burgkart, Rainer; Gordijenko, Olga; Liebl, Hans; Jungmann, Pia M; Gruber, Michael; Zahel, Tina; Rummeny, Ernst J; Waldt, Simone; Bauer, Jan S

2015-06-26

Osteoporosis is defined as a skeletal disorder characterized by compromised bone strength due to a reduction of bone mass and deterioration of bone microstructure predisposing an individual to an increased risk of fracture. Trabecular bone microstructure analysis and finite element models (FEM) have shown to improve the prediction of bone strength beyond bone mineral density (BMD) measurements. These computational methods have been developed and validated in specimens preserved in formalin solution or by freezing. However, little is known about the effects of preservation on trabecular bone microstructure and FEM. The purpose of this observational study was to investigate the effects of preservation on trabecular bone microstructure and FEM in human vertebrae. Four thoracic vertebrae were harvested from each of three fresh human cadavers (n=12). Multi-detector computed tomography (MDCT) images were obtained at baseline, 3 and 6 month follow-up. In the intervals between MDCT imaging, two vertebrae from each donor were formalin-fixed and frozen, respectively. BMD, trabecular bone microstructure parameters (histomorphometry and fractal dimension), and FEM-based apparent compressive modulus (ACM) were determined in the MDCT images and validated by mechanical testing to failure of the vertebrae after 6 months. Changes of BMD, trabecular bone microstructure parameters, and FEM-based ACM in formalin-fixed and frozen vertebrae over 6 months ranged between 1.0-5.6% and 1.3-6.1%, respectively, and were not statistically significant (p>0.05). BMD, trabecular bone microstructure parameters, and FEM-based ACM as assessed at baseline, 3 and 6 month follow-up correlated significantly with mechanically determined failure load (r=0.89-0.99; p<0.05). The correlation coefficients r were not significantly different for the two preservation methods (p>0.05). Formalin fixation and freezing up to six months showed no significant effects on trabecular bone microstructure and FEM-based ACM in human vertebrae and may both be used in corresponding in-vitro experiments in the context of osteoporosis.

Neonatal brain microstructure correlates of neurodevelopment and gait in preterm children 18-22 mo of age: an MRI and DTI study.

PubMed

Rose, Jessica; Cahill-Rowley, Katelyn; Vassar, Rachel; Yeom, Kristen W; Stecher, Ximena; Stevenson, David K; Hintz, Susan R; Barnea-Goraly, Naama

2015-12-01

Near-term brain structure was examined in preterm infants in relation to neurodevelopment. We hypothesized that near-term macrostructural brain abnormalities identified using conventional magnetic resonance imaging (MRI), and white matter (WM) microstructure detected using diffusion tensor imaging (DTI), would correlate with lower cognitive and motor development and slower, less-stable gait at 18-22 mo of age. One hundred and two very-low-birth-weight preterm infants (≤1,500 g birth weight; ≤32 wk gestational age) were recruited prior to routine near-term brain MRI at 36.6 ± 1.8 wk postmenstrual age. Cerebellar and WM macrostructure was assessed on conventional structural MRI. DTI was obtained in 66 out of 102 and WM microstructure was assessed using fractional anisotropy and mean diffusivity (MD) in six subcortical brain regions defined by DiffeoMap neonatal atlas. Neurodevelopment was assessed with Bayley-Scales-of-Infant-Toddler-Development, 3rd-Edition (BSID-III); gait was assessed using an instrumented mat. Neonates with cerebellar abnormalities identified using MRI demonstrated lower mean BSID-III cognitive composite scores (89.0 ± 10.1 vs. 97.8 ± 12.4; P = 0.002) at 18-22 mo. Neonates with higher DTI-derived left posterior limb of internal capsule (PLIC) MD demonstrated lower cognitive and motor composite scores (r = -0.368; P = 0.004; r = -0.354; P = 0.006) at 18-22 mo; neonates with higher genu MD demonstrated slower gait velocity (r = -0.374; P = 0.007). Multivariate linear regression significantly predicted cognitive (adjusted r(2) = 0.247; P = 0.002) and motor score (adjusted r(2) = 0.131; P = 0.017). Near-term cerebellar macrostructure and PLIC and genu microstructure were predictive of early neurodevelopment and gait.

Towards ultra-high ductility TRIP-assisted multiphase steels controlled by strain gradient plasticity effects

NASA Astrophysics Data System (ADS)

Hatami, M. K.; Pardoen, T.; Lacroix, G.; Berke, P.; Jacques, P. J.; Massart, T. J.

2017-01-01

TRansformation Induced Plasticity (TRIP) is a very effective mechanism to increase the strain hardening capacity of multiphase steels containing a fraction of metastable austenite, leading to both high strength and large uniform elongation. Excellent performances have been reached in the past 20 years, with recent renewed interest through the development of the 3rd generation of high strength steels often involving a TRIP effect. The microstructure and composition optimization is complex due to the interplay of coupled effects on the transformation kinetics and work hardening such as phase stability, size of retained austenite grains, temperature and loading path. In particular, recent studies have shown that the TRIP effect can only be quantitatively captured for realistic microstructures if strain gradient plasticity effects are taken into account, although direct experimental validation of this claim is missing. Here, an original computational averaging scheme is developed for predicting the elastoplastic response of TRIP aided multiphase steels based on a strain gradient plasticity model. The microstructure is represented by an aggregate of many elementary unit cells involving each a fraction of retained austenite with a specified stability. The model parameters, involving the transformation kinetics, are identified based on experimental tensile tests performed at different temperatures. The model is further assessed towards original experiments, involving temperature changes during deformation. A classical size independent plasticity model is shown unable to capture the TRIP effect on the mechanical response. Conversely, the strain gradient formulation properly predicts substantial variations of the strain hardening with deformation and temperature, hence of the uniform elongation in good agreement with the experiments. A parametric study is performed to get more insight on the effect of the material length scale as well as to determine optimum transformation kinetics to reach the highest possible strength-ductility balance. It is shown that the uniform elongation can potentially be increased by 50% or more, paving the way towards future microstructure engineering efforts.

The spatial-temporal characteristics of type I collagen-based extracellular matrix.

PubMed

Jones, Christopher Allen Rucksack; Liang, Long; Lin, Daniel; Jiao, Yang; Sun, Bo

2014-11-28

Type I collagen abounds in mammalian extracellular matrix (ECM) and is crucial to many biophysical processes. While previous studies have mostly focused on bulk averaged properties, here we provide a comprehensive and quantitative spatial-temporal characterization of the microstructure of type I collagen-based ECM as the gelation temperature varies. The structural characteristics including the density and nematic correlation functions are obtained by analyzing confocal images of collagen gels prepared at a wide range of gelation temperatures (from 16 °C to 36 °C). As temperature increases, the gel microstructure varies from a "bundled" network with strong orientational correlation between the fibers to an isotropic homogeneous network with no significant orientational correlation, as manifested by the decaying of length scales in the correlation functions. We develop a kinetic Monte-Carlo collagen growth model to better understand how ECM microstructure depends on various environmental or kinetic factors. We show that the nucleation rate, growth rate, and an effective hydrodynamic alignment of collagen fibers fully determines the spatiotemporal fluctuations of the density and orientational order of collagen gel microstructure. Also the temperature dependence of the growth rate and nucleation rate follow the prediction of classical nucleation theory.

Mechanical property degradation and microstructural evolution of cast austenitic stainless steels under short-term thermal aging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lach, Timothy G.; Byun, Thak Sang; Leonard, Keith J.

Mechanical testing and microstructural characterization were performed on short-term thermally aged cast austenitic stainless steels (CASS) to understand the severity and mechanisms of thermal-aging degradation experienced during extended operation of light water reactor (LWR) coolant systems. Four CASS materials – CF3, CF3M, CF8, and CF8M – were thermally aged for 1500 hours at 290 °C, 330 °C, 360 °C, and 400 °C. All four alloys experienced insignificant change in strength and ductility properties but a significant reduction in absorbed impact energy. The primary microstructural and compositional changes during thermal aging were spinodal decomposition of the δ-ferrite into α/ α`, precipitationmore » of G-phase in the δ-ferrite, segregation of solute to the austenite/ ferrite interphase boundary, and growth of M23C6 carbides on the austenite/ferrite interphase boundary. These changes were shown to be highly dependent on chemical composition, particularly the concentration of C and Mo, and aging temperature. A comprehensive model is being developed to correlate the microstructural evolution with mechanical behavior and simulation for predictive evaluations of LWR coolant system components.« less

Microstructure simulation of rapidly solidified ASP30 high-speed steel particles by gas atomization

NASA Astrophysics Data System (ADS)

Ma, Jie; Wang, Bo; Yang, Zhi-liang; Wu, Guang-xin; Zhang, Jie-yu; Zhao, Shun-li

2016-03-01

In this study, the microstructure evolution of rapidly solidified ASP30 high-speed steel particles was predicted using a simulation method based on the cellular automaton-finite element (CAFE) model. The dendritic growth kinetics, in view of the characteristics of ASP30 steel, were calculated and combined with macro heat transfer calculations by user-defined functions (UDFs) to simulate the microstructure of gas-atomized particles. The relationship among particle diameter, undercooling, and the convection heat transfer coefficient was also investigated to provide cooling conditions for simulations. The simulated results indicated that a columnar grain microstructure was observed in small particles, whereas an equiaxed microstructure was observed in large particles. In addition, the morphologies and microstructures of gas-atomized ASP30 steel particles were also investigated experimentally using scanning electron microscopy (SEM). The experimental results showed that four major types of microstructures were formed: dendritic, equiaxed, mixed, and multi-droplet microstructures. The simulated results and the available experimental data are in good agreement.

A RSM-based predictive model to characterize heat treating parameters of D2 steel using combined Barkhausen noise and hysteresis loop methods

NASA Astrophysics Data System (ADS)

Kahrobaee, Saeed; Hejazi, Taha-Hossein

2017-07-01

Austenitizing and tempering temperatures are the effective characteristics in heat treating process of AISI D2 tool steel. Therefore, controlling them enables the heat treatment process to be designed more accurately which results in more balanced mechanical properties. The aim of this work is to develop a multiresponse predictive model that enables finding these characteristics based on nondestructive tests by a set of parameters of the magnetic Barkhausen noise technique and hysteresis loop method. To produce various microstructural changes, identical specimens from the AISI D2 steel sheet were austenitized in the range 1025-1130 °C, for 30 min, oil-quenched and finally tempered at various temperatures between 200 °C and 650 °C. A set of nondestructive data have been gathered based on general factorial design of experiments and used for training and testing the multiple response surface model. Finally, an optimization model has been proposed to achieve minimal error prediction. Results revealed that applying Barkhausen and hysteresis loop methods, simultaneously, coupling to the multiresponse model, has a potential to be used as a reliable and accurate nondestructive tool for predicting austenitizing and tempering temperatures (which, in turn, led to characterizing the microstructural changes) of the parts with unknown heat treating conditions.

Microstructure-Tensile Properties Correlation for the Ti-6Al-4V Titanium Alloy

NASA Astrophysics Data System (ADS)

Shi, Xiaohui; Zeng, Weidong; Sun, Yu; Han, Yuanfei; Zhao, Yongqing; Guo, Ping

2015-04-01

Finding the quantitative microstructure-tensile properties correlations is the key to achieve performance optimization for various materials. However, it is extremely difficult due to their non-linear and highly interactive interrelations. In the present investigation, the lamellar microstructure features-tensile properties correlations of the Ti-6Al-4V alloy are studied using an error back-propagation artificial neural network (ANN-BP) model. Forty-eight thermomechanical treatments were conducted to prepare the Ti-6Al-4V alloy with different lamellar microstructure features. In the proposed model, the input variables are microstructure features including the α platelet thickness, colony size, and β grain size, which were extracted using Image Pro Plus software. The output variables are the tensile properties, including ultimate tensile strength, yield strength, elongation, and reduction of area. Fourteen hidden-layer neurons which can make ANN-BP model present the most excellent performance were applied. The training results show that all the relative errors between the predicted and experimental values are within 6%, which means that the trained ANN-BP model is capable of providing precise prediction of the tensile properties for Ti-6Al-4V alloy. Based on the corresponding relations between the tensile properties predicted by ANN-BP model and the lamellar microstructure features, it can be found that the yield strength decreases with increasing α platelet thickness continuously. However, the α platelet thickness exerts influence on the elongation in a more complicated way. In addition, for a given α platelet thickness, the yield strength and the elongation both increase with decreasing β grain size and colony size. In general, the β grain size and colony size play a more important role in affecting the tensile properties of Ti-6Al-4V alloy than the α platelet thickness.

Prediction of Proper Temperatures for the Hot Stamping Process Based on the Kinetics Models

NASA Astrophysics Data System (ADS)

Samadian, P.; Parsa, M. H.; Mirzadeh, H.

2015-02-01

Nowadays, the application of kinetics models for predicting microstructures of steels subjected to thermo-mechanical treatments has increased to minimize direct experimentation, which is costly and time consuming. In the current work, the final microstructures of AISI 4140 steel sheets after the hot stamping process were predicted using the Kirkaldy and Li kinetics models combined with new thermodynamically based models in order for the determination of the appropriate process temperatures. In this way, the effect of deformation during hot stamping on the Ae3, Acm, and Ae1 temperatures was considered, and then the equilibrium volume fractions of phases at different temperatures were calculated. Moreover, the ferrite transformation rate equations of the Kirkaldy and Li models were modified by a term proposed by Åkerström to consider the influence of plastic deformation. Results showed that the modified Kirkaldy model is satisfactory for the determination of appropriate austenitization temperatures for the hot stamping process of AISI 4140 steel sheets because of agreeable microstructure predictions in comparison with the experimental observations.

An Analysis on the Constitutive Models for Forging of Ti6Al4V Alloy Considering the Softening Behavior

NASA Astrophysics Data System (ADS)

Souza, Paul M.; Beladi, Hossein; Singh, Rajkumar P.; Hodgson, Peter D.; Rolfe, Bernard

2018-05-01

This paper developed high-temperature deformation constitutive models for a Ti6Al4V alloy using an empirical-based Arrhenius equation and an enhanced version of the authors' physical-based EM + Avrami equations. The initial microstructure was a partially equiaxed α + β grain structure. A wide range of experimental data was obtained from hot compression of the Ti6Al4 V alloy at deformation temperatures ranging from 720 to 970 °C, and at strain rates varying from 0.01 to 10 s-1. The friction- and adiabatic-corrected flow curves were used to identify the parameter values of the constitutive models. Both models provided good overall accuracy of the flow stress. The generalized modified Arrhenius model was better at predicting the flow stress at lower strain rates. However, the model was inaccurate in predicting the peak strain. In contrast, the enhanced physical-based EM + Avrami model revealed very good accuracy at intermediate and high strain rates, but it was also better at predicting the peak strain. Blind sample tests revealed that the EM + Avrami maintained good predictions on new (unseen) data. Thus, the enhanced EM + Avrami model may be preferred over the Arrhenius model to predict the flow behavior of Ti6Al4V alloy during industrial forgings, when the initial microstructure is partially equiaxed.

Microstructural modeling of thermal conductivity of high burn-up mixed oxide fuel

NASA Astrophysics Data System (ADS)

Teague, Melissa; Tonks, Michael; Novascone, Stephen; Hayes, Steven

2014-01-01

Predicting the thermal conductivity of oxide fuels as a function of burn-up and temperature is fundamental to the efficient and safe operation of nuclear reactors. However, modeling the thermal conductivity of fuel is greatly complicated by the radially inhomogeneous nature of irradiated fuel in both composition and microstructure. In this work, radially and temperature-dependent models for effective thermal conductivity were developed utilizing optical micrographs of high burn-up mixed oxide fuel. The micrographs were employed to create finite element meshes with the OOF2 software. The meshes were then used to calculate the effective thermal conductivity of the microstructures using the BISON [1] fuel performance code. The new thermal conductivity models were used to calculate thermal profiles at end of life for the fuel pellets. These results were compared to thermal conductivity models from the literature, and comparison between the new finite element-based thermal conductivity model and the Duriez-Lucuta model was favorable.

Computer Simulation of Spatial Arrangement and Connectivity of Particles in Three-Dimensional Microstructure: Application to Model Electrical Conductivity of Polymer Matrix Composite

NASA Technical Reports Server (NTRS)

Louis, P.; Gokhale, A. M.

1996-01-01

Computer simulation is a powerful tool for analyzing the geometry of three-dimensional microstructure. A computer simulation model is developed to represent the three-dimensional microstructure of a two-phase particulate composite where particles may be in contact with one another but do not overlap significantly. The model is used to quantify the "connectedness" of the particulate phase of a polymer matrix composite containing hollow carbon particles in a dielectric polymer resin matrix. The simulations are utilized to estimate the morphological percolation volume fraction for electrical conduction, and the effective volume fraction of the particles that actually take part in the electrical conduction. The calculated values of the effective volume fraction are used as an input for a self-consistent physical model for electrical conductivity. The predicted values of electrical conductivity are in very good agreement with the corresponding experimental data on a series of specimens having different particulate volume fraction.

Microstructural Modeling of Thermal Conductivity of High Burn-up Mixed Oxide Fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Melissa Teague; Michael Tonks; Stephen Novascone

2014-01-01

Predicting the thermal conductivity of oxide fuels as a function of burn-up and temperature is fundamental to the efficient and safe operation of nuclear reactors. However, modeling the thermal conductivity of fuel is greatly complicated by the radially inhomogeneous nature of irradiated fuel in both composition and microstructure. In this work, radially and temperature-dependent models for effective thermal conductivity were developed utilizing optical micrographs of high burn-up mixed oxide fuel. The micrographs were employed to create finite element meshes with the OOF2 software. The meshes were then used to calculate the effective thermal conductivity of the microstructures using the BISONmore » fuel performance code. The new thermal conductivity models were used to calculate thermal profiles at end of life for the fuel pellets. These results were compared to thermal conductivity models from the literature, and comparison between the new finite element-based thermal conductivity model and the Duriez–Lucuta model was favorable.« less

Brainstem White Matter Predicts Individual Differences in Manual Motor Difficulties and Symptom Severity in Autism

ERIC Educational Resources Information Center

Travers, Brittany G.; Bigler, Erin D.; Tromp, Do P. M.; Adluru, Nagesh; Destiche, Dan; Samsin, Danica; Froehlich, Alyson; Prigge, Molly D. B.; Duffield, Tyler C.; Lange, Nicholas; Alexander, Andrew L.; Lainhart, Janet E.

2015-01-01

Mounting evidence suggests that poorer motor skills may be related to more severe autism symptoms. This study investigated if atypical white matter microstructure in the brain mediated the relationship between motor skills and ASD symptom severity. Sixty-seven males with ASD and 42 males with typical development (5-33 years old) completed a…

Molecular Engineering for Mechanically Resilient and Stretchable Electronic Polymers and Composites

DTIC Science & Technology

2016-06-08

conjugated polymers and composites by analysis of the structural determinants of the mechanical properties. We developed coarse-grained molecular...dynamics simulations that predicted the mechanical properties of conjugated polymers and polymer -fullerene composites. We elucidated the mechanical...We also determined the effect of cyclic stretching on the microstructure and mechanical properties of conjugated polymers . We used many of

Unified model of brain tissue microstructure dynamically binds diffusion and osmosis with extracellular space geometry

NASA Astrophysics Data System (ADS)

Yousefnezhad, Mohsen; Fotouhi, Morteza; Vejdani, Kaveh; Kamali-Zare, Padideh

2016-09-01

We present a universal model of brain tissue microstructure that dynamically links osmosis and diffusion with geometrical parameters of brain extracellular space (ECS). Our model robustly describes and predicts the nonlinear time dependency of tortuosity (λ =√{D /D* } ) changes with very high precision in various media with uniform and nonuniform osmolarity distribution, as demonstrated by previously published experimental data (D = free diffusion coefficient, D* = effective diffusion coefficient). To construct this model, we first developed a multiscale technique for computationally effective modeling of osmolarity in the brain tissue. Osmolarity differences across cell membranes lead to changes in the ECS dynamics. The evolution of the underlying dynamics is then captured by a level set method. Subsequently, using a homogenization technique, we derived a coarse-grained model with parameters that are explicitly related to the geometry of cells and their associated ECS. Our modeling results in very accurate analytical approximation of tortuosity based on time, space, osmolarity differences across cell membranes, and water permeability of cell membranes. Our model provides a unique platform for studying ECS dynamics not only in physiologic conditions such as sleep-wake cycles and aging but also in pathologic conditions such as stroke, seizure, and neoplasia, as well as in predictive pharmacokinetic modeling such as predicting medication biodistribution and efficacy and novel biomolecule development and testing.

Multiscale modeling of thermal conductivity of high burnup structures in UO 2 fuels

DOE PAGES

Bai, Xian -Ming; Tonks, Michael R.; Zhang, Yongfeng; ...

2015-12-22

The high burnup structure forming at the rim region in UO 2 based nuclear fuel pellets has interesting physical properties such as improved thermal conductivity, even though it contains a high density of grain boundaries and micron-size gas bubbles. To understand this counterintuitive phenomenon, mesoscale heat conduction simulations with inputs from atomistic simulations and experiments were conducted to study the thermal conductivities of a small-grain high burnup microstructure and two large-grain unrestructured microstructures. We concluded that the phonon scattering effects caused by small point defects such as dispersed Xe atoms in the grain interior must be included in order tomore » correctly predict the thermal transport properties of these microstructures. In extreme cases, even a small concentration of dispersed Xe atoms such as 10 -5 can result in a lower thermal conductivity in the large-grain unrestructured microstructures than in the small-grain high burnup structure. The high-density grain boundaries in a high burnup structure act as defect sinks and can reduce the concentration of point defects in its grain interior and improve its thermal conductivity in comparison with its large-grain counterparts. Furthermore, an analytical model was developed to describe the thermal conductivity at different concentrations of dispersed Xe, bubble porosities, and grain sizes. Upon calibration, the model is robust and agrees well with independent heat conduction modeling over a wide range of microstructural parameters.« less

Comparison of three‐dimensional analysis and stereological techniques for quantifying lithium‐ion battery electrode microstructures

PubMed Central

TAIWO, OLUWADAMILOLA O.; FINEGAN, DONAL P.; EASTWOOD, DAVID S.; FIFE, JULIE L.; BROWN, LEON D.; DARR, JAWWAD A.; LEE, PETER D.; BRETT, DANIEL J.L.

2016-01-01

Summary Lithium‐ion battery performance is intrinsically linked to electrode microstructure. Quantitative measurement of key structural parameters of lithium‐ion battery electrode microstructures will enable optimization as well as motivate systematic numerical studies for the improvement of battery performance. With the rapid development of 3‐D imaging techniques, quantitative assessment of 3‐D microstructures from 2‐D image sections by stereological methods appears outmoded; however, in spite of the proliferation of tomographic imaging techniques, it remains significantly easier to obtain two‐dimensional (2‐D) data sets. In this study, stereological prediction and three‐dimensional (3‐D) analysis techniques for quantitative assessment of key geometric parameters for characterizing battery electrode microstructures are examined and compared. Lithium‐ion battery electrodes were imaged using synchrotron‐based X‐ray tomographic microscopy. For each electrode sample investigated, stereological analysis was performed on reconstructed 2‐D image sections generated from tomographic imaging, whereas direct 3‐D analysis was performed on reconstructed image volumes. The analysis showed that geometric parameter estimation using 2‐D image sections is bound to be associated with ambiguity and that volume‐based 3‐D characterization of nonconvex, irregular and interconnected particles can be used to more accurately quantify spatially‐dependent parameters, such as tortuosity and pore‐phase connectivity. PMID:26999804

Comparison of three-dimensional analysis and stereological techniques for quantifying lithium-ion battery electrode microstructures.

PubMed

Taiwo, Oluwadamilola O; Finegan, Donal P; Eastwood, David S; Fife, Julie L; Brown, Leon D; Darr, Jawwad A; Lee, Peter D; Brett, Daniel J L; Shearing, Paul R

2016-09-01

Lithium-ion battery performance is intrinsically linked to electrode microstructure. Quantitative measurement of key structural parameters of lithium-ion battery electrode microstructures will enable optimization as well as motivate systematic numerical studies for the improvement of battery performance. With the rapid development of 3-D imaging techniques, quantitative assessment of 3-D microstructures from 2-D image sections by stereological methods appears outmoded; however, in spite of the proliferation of tomographic imaging techniques, it remains significantly easier to obtain two-dimensional (2-D) data sets. In this study, stereological prediction and three-dimensional (3-D) analysis techniques for quantitative assessment of key geometric parameters for characterizing battery electrode microstructures are examined and compared. Lithium-ion battery electrodes were imaged using synchrotron-based X-ray tomographic microscopy. For each electrode sample investigated, stereological analysis was performed on reconstructed 2-D image sections generated from tomographic imaging, whereas direct 3-D analysis was performed on reconstructed image volumes. The analysis showed that geometric parameter estimation using 2-D image sections is bound to be associated with ambiguity and that volume-based 3-D characterization of nonconvex, irregular and interconnected particles can be used to more accurately quantify spatially-dependent parameters, such as tortuosity and pore-phase connectivity. © 2016 The Authors. Journal of Microscopy published by John Wiley & Sons Ltd on behalf of Royal Microscopical Society.

Prediction of La0.6Sr0.4Co0.2Fe0.8O3 cathode microstructures during sintering: Kinetic Monte Carlo (KMC) simulations calibrated by artificial neural networks

NASA Astrophysics Data System (ADS)

Yan, Zilin; Kim, Yongtae; Hara, Shotaro; Shikazono, Naoki

2017-04-01

The Potts Kinetic Monte Carlo (KMC) model, proven to be a robust tool to study all stages of sintering process, is an ideal tool to analyze the microstructure evolution of electrodes in solid oxide fuel cells (SOFCs). Due to the nature of this model, the input parameters of KMC simulations such as simulation temperatures and attempt frequencies are difficult to identify. We propose a rigorous and efficient approach to facilitate the input parameter calibration process using artificial neural networks (ANNs). The trained ANN reduces drastically the number of trial-and-error of KMC simulations. The KMC simulation using the calibrated input parameters predicts the microstructures of a La0.6Sr0.4Co0.2Fe0.8O3 cathode material during sintering, showing both qualitative and quantitative congruence with real 3D microstructures obtained by focused ion beam scanning electron microscopy (FIB-SEM) reconstruction.

Phase-field model of domain structures in ferroelectric thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Y. L.; Hu, S. Y.; Liu, Z. K.

A phase-field model for predicting the coherent microstructure evolution in constrained thin films is developed. It employs an analytical elastic solution derived for a constrained film with arbitrary eigenstrain distributions. The domain structure evolution during a cubic{r_arrow}tetragonal proper ferroelectric phase transition is studied. It is shown that the model is able to simultaneously predict the effects of substrate constraint and temperature on the volume fractions of domain variants, domain-wall orientations, domain shapes, and their temporal evolution. {copyright} 2001 American Institute of Physics.

Prediction and Monitoring Systems of Creep-Fracture Behavior of 9Cr-1Mo Steels for Teactor Pressure Vessels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Potirniche, Gabriel; Barlow, Fred D.; Charit, Indrajit

2013-11-26

A recent workshop on next-generation nuclear plant (NGNP) topics underscored the need for research studies on the creep fracture behavior of two materials under consideration for reactor pressure vessel (RPV) applications: 9Cr-1Mo and SA-5XX steels. This research project will provide a fundamental understanding of creep fracture behavior of modified 9Cr-1Mo steel welds for through modeling and experimentation and will recommend a design for an RPV structural health monitoring system. Following are the specific objectives of this research project: Characterize metallurgical degradation in welded modified 9Cr-1Mo steel resulting from aging processes and creep service conditions; Perform creep tests and characterize themore » mechanisms of creep fracture process; Quantify how the microstructure degradation controls the creep strength of welded steel specimens; Perform finite element (FE) simulations using polycrystal plasticity to understand how grain texture affects the creep fracture properties of welds; Develop a microstructure-based creep fracture model to estimate RPVs service life; Manufacture small, prototypic, cylindrical pressure vessels, subject them to degradation by aging, and measure their leak rates; Simulate damage evolution in creep specimens by FE analyses; Develop a model that correlates gas leak rates from welded pressure vessels with the amount of microstructural damage; Perform large-scale FE simulations with a realistic microstructure to evaluate RPV performance at elevated temperatures and creep strength; Develop a fracture model for the structural integrity of RPVs subjected to creep loads; and Develop a plan for a non-destructive structural health monitoring technique and damage detection device for RPVs.« less

Microstructural Modeling of Brittle Materials for Enhanced Performance and Reliability.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teague, Melissa Christine; Teague, Melissa Christine; Rodgers, Theron

Brittle failure is often influenced by difficult to measure and variable microstructure-scale stresses. Recent advances in photoluminescence spectroscopy (PLS), including improved confocal laser measurement and rapid spectroscopic data collection have established the potential to map stresses with microscale spatial resolution (%3C2 microns). Advanced PLS was successfully used to investigate both residual and externally applied stresses in polycrystalline alumina at the microstructure scale. The measured average stresses matched those estimated from beam theory to within one standard deviation, validating the technique. Modeling the residual stresses within the microstructure produced general agreement in comparison with the experimentally measured results. Microstructure scale modelingmore » is primed to take advantage of advanced PLS to enable its refinement and validation, eventually enabling microstructure modeling to become a predictive tool for brittle materials.« less

Characterization of nitrogen effects in high energy density weldments of Nitronic 40 stainless steel

NASA Astrophysics Data System (ADS)

Pfeif, Erik Andrew

Variation in the welding environment for laser beam welding and electron beam welding can alter the resulting weld chemical composition, microstructure and therefore the mechanical properties. The room temperature mechanical properties of Nitronic 40 stainless steel weld metal from three different heats containing 0.24, 0.28, and 0.31 wt. pct. nitrogen were evaluated for continuous mode Ytterbium doped Fiber laser welds conducted with argon and nitrogen shielding gases, and for electron beam welds. The bulk nitrogen contents were monitored and the resulting properties were then related to microstructural features measured using Electron BackScatter Diffraction (EBSD). Traditional tensile testing of weld metal is conducted on composite tensile bars consisting of base metal and weld metal often leading to failure in the region adjacent to the weld due to strength mismatch at the weld interface. These tests provide composite strength but do not specifically determine the mechanical properties of the heterogeneous weld metal. In this research, microtensile testing was conducted to characterize the properties of the different regions of the weld. The microtensile testing procedures were developed using two geometries of tensile bars measuring the properties through the thickness of 3 mm full penetration welds. In all cases an increase in the strength of the weld metal was found to occur, though the electron beam welds exhibited a higher strength than the laser welds. Standard predictive equations were found to under-predict the strength of the laser welds, even when average grain size or intercept distances were measured. The contribution of nitrogen solid solution strengthening was consistent at approximately 513 MPa per wt. pct. nitrogen. Similar cooling rates and heat inputs allow for a comparison across high energy density welding techniques. Though microstructural differences through the depth of the weld metal were observed as nitrogen vaporization decreased and cooling rates increased. Vermicular ferrite, lacy ferrite and intercellular ferrite were identified as predicted in prior research done on high nitrogen austenitic stainless steels. The resulting laser weld metal microstructures were analyzed with EBSD for grain size and ferrite content measurements, while grain boundary character was determined for a Hansen model used for multi-scale mechanical property measurements. It was found that the low angle grain boundaries were the predominant microstructural feature responsible for strengthening within the weld metal and that this contribution must be accounted for when predicting yield strength of the weld metal.

Hot Deformation Behavior and a Two-Stage Constitutive Model of 20Mn5 Solid Steel Ingot during Hot Compression

PubMed Central

Liu, Min; Ma, Qing-Xian; Luo, Jian-Bin

2018-01-01

20Mn5 steel is widely used in the manufacture of heavy hydro-generator shaft forging due to its strength, toughness, and wear resistance. However, the hot deformation and recrystallization behaviors of 20Mn5 steel compressed under a high temperature were not studied. For this article, hot compression experiments under temperatures of 850–1200 °C and strain rates of 0.01 s−1–1 s−1 were conducted using a Gleeble-1500D thermo-mechanical simulator. Flow stress-strain curves and microstructure after hot compression were obtained. Effects of temperature and strain rate on microstructure are analyzed. Based on the classical stress-dislocation relationship and the kinetics of dynamic recrystallization, a two-stage constitutive model is developed to predict the flow stress of 20Mn5 steel. Comparisons between experimental flow stress and predicted flow stress show that the predicted flow stress values are in good agreement with the experimental flow stress values, which indicates that the proposed constitutive model is reliable and can be used for numerical simulation of hot forging of 20Mn5 solid steel ingot. PMID:29547570

CEM V based special cementitious materials investigated by means of SANS method. Preliminary results

NASA Astrophysics Data System (ADS)

Dragolici, A. C.; Balasoiu, M.; Orelovich, O. L.; Ionascu, L.; Nicu, M.; Soloviov, D. V.; Kuklin, A. I.; Lizunov, E. I.; Dragolici, F.

2017-05-01

The management of the radioactive waste assume the conditioning in a cement matrix as an embedding, stable, disposal material. Cement matrix is the first and most important engineering barrier against the migration in the environment of the radionuclides contained in the waste packages. Knowing how the microstructure develops is therefore desirable in order to assess the compatibility of radioactive streams with cement and predict waste form performance during storage and disposal. For conditioning wastes containing radioactive aluminum new formulas of low basicity cements, using coatings as a barrier between the metal and the conditioning environment or introducing a corrosion inhibitor in the matrix system are required. Preliminary microstructure investigation of such improved CEM V based cement matrix is reported.

Non-Destructive Characterization of UO2+x Nuclear Fuels

DOE PAGES

Pokharel, Reeju; Brown, Donald W.; Clausen, Bjørn; ...

2017-10-27

This article describes the effect of fabrication conditions on as-sintered microstructures of various stoichiometric ratios of uranium dioxide, UO 2+x, with the aim of enhancing the understanding of fabrication process and developing and validating a predictive microstructurebased model for fuel performance. We demonstrate the ability of novel, non-destructive methods such as near-field high-energy X-ray diffraction microscopy (nf-HEDM) and micro-computed tomography (μ-CT) to probe bulk samples of high-Z materials by non-destructively characterizing three samples: UO 2.00, UO 2.11, and UO 2.16, which were sintered at 1450°C for 4 hours. The measured 3D microstructures revealed that grain size and porosity were influencedmore » by deviation from stoichiometry.« less

Laser surface alloying on aluminum and its alloys: A review

NASA Astrophysics Data System (ADS)

Chi, Yiming; Gu, Guochao; Yu, Huijun; Chen, Chuanzhong

2018-01-01

Aluminum and its alloys have been widely used in aerospace, automotive and transportation industries owing to their excellent properties such as high specific strength, good ductility and light weight. Surface modification is of crucial importance to the surface properties of aluminum and its alloys since high coefficient of friction, wear characteristics and low hardness have limited their long term performance. Laser surface alloying is one of the most effective methods of producing proper microstructure by means of non-equilibrium solidification which results from rapid heating and cooling. In this paper, the influence of different processing parameters, such as laser power and scanning velocity is discussed. The developments of various material systems including ceramics, metals or alloys, and metal matrix composites (MMCs) are reviewed. The microstructure, hardness, wear properties and other behaviors of laser treated layer are analyzed. Besides, the existing problems during laser surface treatment and the corresponding solutions are elucidated and the future developments are predicted.

MR-based trabecular bone microstructure is not altered in subjects with indolent systemic mastocytosis.

PubMed

Baum, Thomas; Karampinos, Dimitrios C; Brockow, Knut; Seifert-Klauss, Vanadin; Jungmann, Pia M; Biedermann, Tilo; Rummeny, Ernst J; Bauer, Jan S; Müller, Dirk

2015-01-01

Subjects with indolent systemic mastocytosis (ISM) have an increased risk for osteoporosis. It has been demonstrated that trabecular bone microstructure analysis improves the prediction of bone strength beyond dual-energy X-ray absorptiometry-based bone mineral density. The purpose of this study was to obtain Magnetic Resonance (MR)-based trabecular bone microstructure parameters as advanced imaging biomarkers in subjects with ISM (n=18) and compare them with those of normal controls (n=18). Trabecular bone microstructure parameters were not significantly (P>.05) different between subjects with ISM and controls. These findings revealed important pathophysiological information about ISM-associated osteoporosis and may limit the use of trabecular bone microstructure analysis in this clinical setting. Copyright © 2015 Elsevier Inc. All rights reserved.

Intergranular degradation assessment via random grain boundary network analysis

DOEpatents

Kumar, Mukul; Schwartz, Adam J.; King, Wayne E.

2002-01-01

A method is disclosed for determining the resistance of polycrystalline materials to intergranular degradation or failure (IGDF), by analyzing the random grain boundary network connectivity (RGBNC) microstructure. Analysis of the disruption of the RGBNC microstructure may be assess the effectiveness of materials processing in increasing IGDF resistance. Comparison of the RGBNC microstructures of materials exposed to extreme operating conditions to unexposed materials may be used to diagnose and predict possible onset of material failure due to

Forging property, processing map, and mesoscale microstructural evolution modeling of a Ti-17 alloy with a lamellar (α+β) starting microstructure

NASA Astrophysics Data System (ADS)

Matsumoto, Hiroaki; Naito, Daiki; Miyoshi, Kento; Yamanaka, Kenta; Chiba, Akihiko; Yamabe-Mitarai, Yoko

2017-12-01

This work identifies microstructural conversion mechanisms during hot deformation (at temperatures ranging from 750 °C to 1050 °C and strain rates ranging from 10-3 s-1 to 1 s-1) of a Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti-17) alloy with a lamellar starting microstructure and establishes constitutive formulae for predicting the microstructural evolution using finite-element analysis. In the α phase, lamellae kinking is the dominant mode in the higher strain rate region and dynamic globularization frequently occurs at higher temperatures. In the β phase, continuous dynamic recrystallization is the dominant mode below the transition temperature, Tβ (880 890 °C). Dynamic recovery tends to be more active at conditions of lower strain rates and higher temperatures. At temperatures above Tβ, continuous dynamic recrystallization of the β phase frequently occurs, especially in the lower strain rate region. A set of constitutive equations modeling the microstructural evolution and processing map characteristic are established by optimizing the experimental data and were later implemented in the DEFORM-3D software package. There is a satisfactory agreement between the experimental and simulated results, indicating that the established series of constitutive models can be used to reliably predict the properties of a Ti-17 alloy after forging in the (α+β) region.

Forging property, processing map, and mesoscale microstructural evolution modeling of a Ti-17 alloy with a lamellar (α+β) starting microstructure

PubMed Central

Matsumoto, Hiroaki; Naito, Daiki; Miyoshi, Kento; Yamanaka, Kenta; Chiba, Akihiko; Yamabe-Mitarai, Yoko

2017-01-01

Abstract This work identifies microstructural conversion mechanisms during hot deformation (at temperatures ranging from 750 °C to 1050 °C and strain rates ranging from 10−3 s−1 to 1 s−1) of a Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti-17) alloy with a lamellar starting microstructure and establishes constitutive formulae for predicting the microstructural evolution using finite-element analysis. In the α phase, lamellae kinking is the dominant mode in the higher strain rate region and dynamic globularization frequently occurs at higher temperatures. In the β phase, continuous dynamic recrystallization is the dominant mode below the transition temperature, T β (880~890 °C). Dynamic recovery tends to be more active at conditions of lower strain rates and higher temperatures. At temperatures above T β, continuous dynamic recrystallization of the β phase frequently occurs, especially in the lower strain rate region. A set of constitutive equations modeling the microstructural evolution and processing map characteristic are established by optimizing the experimental data and were later implemented in the DEFORM-3D software package. There is a satisfactory agreement between the experimental and simulated results, indicating that the established series of constitutive models can be used to reliably predict the properties of a Ti-17 alloy after forging in the (α+β) region. PMID:29152021

Forging property, processing map, and mesoscale microstructural evolution modeling of a Ti-17 alloy with a lamellar (α+β) starting microstructure.

PubMed

Matsumoto, Hiroaki; Naito, Daiki; Miyoshi, Kento; Yamanaka, Kenta; Chiba, Akihiko; Yamabe-Mitarai, Yoko

2017-01-01

This work identifies microstructural conversion mechanisms during hot deformation (at temperatures ranging from 750 °C to 1050 °C and strain rates ranging from 10 -3  s -1 to 1 s -1 ) of a Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti-17) alloy with a lamellar starting microstructure and establishes constitutive formulae for predicting the microstructural evolution using finite-element analysis. In the α phase, lamellae kinking is the dominant mode in the higher strain rate region and dynamic globularization frequently occurs at higher temperatures. In the β phase, continuous dynamic recrystallization is the dominant mode below the transition temperature, T β (880~890 °C). Dynamic recovery tends to be more active at conditions of lower strain rates and higher temperatures. At temperatures above T β , continuous dynamic recrystallization of the β phase frequently occurs, especially in the lower strain rate region. A set of constitutive equations modeling the microstructural evolution and processing map characteristic are established by optimizing the experimental data and were later implemented in the DEFORM-3D software package. There is a satisfactory agreement between the experimental and simulated results, indicating that the established series of constitutive models can be used to reliably predict the properties of a Ti-17 alloy after forging in the (α+ β ) region.

A hybrid finite-element and cellular-automaton framework for modeling 3D microstructure of Ti–6Al–4V alloy during solid–solid phase transformation in additive manufacturing

NASA Astrophysics Data System (ADS)

Chen, Shaohua; Xu, Yaopengxiao; Jiao, Yang

2018-06-01

Additive manufacturing such as selective laser sintering and electron beam melting has become a popular technique which enables one to build near-net-shape product from packed powders. The performance and properties of the manufactured product strongly depends on its material microstructure, which is in turn determined by the processing conditions including beam power density, spot size, scanning speed and path etc. In this paper, we develop a computational framework that integrates the finite element method (FEM) and cellular automaton (CA) simulation to model the 3D microstructure of additively manufactured Ti–6Al–4V alloy, focusing on the β → α + β transition pathway in a consolidated alloy region as the power source moves away from this region. Specifically, the transient temperature field resulted from a scanning laser/electron beam following a zig-zag path is first obtained by solving nonlinear heat transfer equations using the FEM. Next, a CA model for the β → α + β phase transformation in the consolidated alloy is developed which explicitly takes into account the temperature dependent heterogeneous nucleation and anisotropic growth of α grains from the parent β phase field. We verify our model by reproducing the overall transition kinetics predicted by the Johnson–Mehl–Avrami–Kolmogorov theory under a typical processing condition and by quantitatively comparing our simulation results with available experimental data. The utility of the model is further demonstrated by generating large-field realistic 3D alloy microstructures for subsequent structure-sensitive micro-mechanical analysis. In addition, we employ our model to generate a wide spectrum of alloy microstructures corresponding to different processing conditions for establishing quantitative process-structure relations for the system.

Integrated Predictive Tools for Customizing Microstructure and Material Properties of Additively Manufactured Aerospace Components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radhakrishnan, Balasubramaniam; Fattebert, Jean-Luc; Gorti, Sarma B.

Additive Manufacturing (AM) refers to a process by which digital three-dimensional (3-D) design data is converted to build up a component by depositing material layer-by-layer. United Technologies Corporation (UTC) is currently involved in fabrication and certification of several AM aerospace structural components made from aerospace materials. This is accomplished by using optimized process parameters determined through numerous design-of-experiments (DOE)-based studies. Certification of these components is broadly recognized as a significant challenge, with long lead times, very expensive new product development cycles and very high energy consumption. Because of these challenges, United Technologies Research Center (UTRC), together with UTC business unitsmore » have been developing and validating an advanced physics-based process model. The specific goal is to develop a physics-based framework of an AM process and reliably predict fatigue properties of built-up structures as based on detailed solidification microstructures. Microstructures are predicted using process control parameters including energy source power, scan velocity, deposition pattern, and powder properties. The multi-scale multi-physics model requires solution and coupling of governing physics that will allow prediction of the thermal field and enable solution at the microstructural scale. The state-of-the-art approach to solve these problems requires a huge computational framework and this kind of resource is only available within academia and national laboratories. The project utilized the parallel phase-fields codes at Oak Ridge National Laboratory (ORNL) and Lawrence Livermore National Laboratory (LLNL), along with the high-performance computing (HPC) capabilities existing at the two labs to demonstrate the simulation of multiple dendrite growth in threedimensions (3-D). The LLNL code AMPE was used to implement the UTRC phase field model that was previously developed for a model binary alloy, and the simulation results were compared against the UTRC simulation results, followed by extension of the UTRC model to simulate multiple dendrite growth in 3-D. The ORNL MEUMAPPS code was used to simulate dendritic growth in a model ternary alloy with the same equilibrium solidification range as the Ni-base alloy 718 using realistic model parameters, including thermodynamic integration with a Calphad based model for the ternary alloy. Implementation of the UTRC model in AMPE met with several numerical and parametric issues that were resolved and good comparison between the simulation results obtained by the two codes was demonstrated for two dimensional (2-D) dendrites. 3-D dendrite growth was then demonstrated with the AMPE code using nondimensional parameters obtained in 2-D simulations. Multiple dendrite growth in 2-D and 3-D were demonstrated using ORNL’s MEUMAPPS code using simple thermal boundary conditions. MEUMAPPS was then modified to incorporate the complex, time-dependent thermal boundary conditions obtained by UTRC’s thermal modeling of single track AM experiments to drive the phase field simulations. The results were in good agreement with UTRC’s experimental measurements.« less

Plasticity models of material variability based on uncertainty quantification techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jones, Reese E.; Rizzi, Francesco; Boyce, Brad

The advent of fabrication techniques like additive manufacturing has focused attention on the considerable variability of material response due to defects and other micro-structural aspects. This variability motivates the development of an enhanced design methodology that incorporates inherent material variability to provide robust predictions of performance. In this work, we develop plasticity models capable of representing the distribution of mechanical responses observed in experiments using traditional plasticity models of the mean response and recently developed uncertainty quantification (UQ) techniques. Lastly, we demonstrate that the new method provides predictive realizations that are superior to more traditional ones, and how these UQmore » techniques can be used in model selection and assessing the quality of calibrated physical parameters.« less

Prediction of Microstructure in HAZ of Welds

NASA Astrophysics Data System (ADS)

Khurana, S. P.; Yancey, R.; Jung, G.

2004-06-01

A modeling technique for predicting microstructure in the heat-affected zone (HAZ) of the hypoeutectoid steels is presented. This technique aims at predicting the phase fractions of ferrite, pearlite, bainite and martensite present in the HAZ after the cool down of a weld. The austenite formation kinetics and austenite decomposition kinetics are calculated using the transient temperature profile. The thermal profile in the weld and the HAZ is calculated by finite-element analysis (FEA). Two kinds of austenite decomposition models are included. The final phase fractions are predicted with the help of a continuous cooling transformation (CCT) diagram of the material. In the calculation of phase fractions either the experimental CCT diagram or the mathematically calculated CCT diagram can be used.

The rheology and microstructure of aging thermoreversible colloidal gels & attractive driven glasses

NASA Astrophysics Data System (ADS)

Wagner, Norman; Gordon, Melissa; Kloxin, Christopher

The properties of colloidal gels and glasses are known to change with age, but the particle-level mechanisms by which aging occurs is are fully understood, which limits our ability to predict macroscopic behavior in these systems. In this work, we quantitatively relate rheological aging to structural aging of a model, homogenous gel and attractive driven glass by simultaneously measuring the bulk properties and gel microstructure using rheometry and small angle neutron scattering (Rheo-SANS), respectively. Specifically, we develop a quantitative and predictive relationship between the macroscopic properties and the underlying microstructure (i . e . , the effective strength of attraction) of an aging colloidal gel and attractive driven glass and study it as a function of the thermal and shear history. Analysis with mode coupling theory is consistent with local particle rearrangements as the mechanism of aging, which lead to monotonically increasing interaction strengths in a continuously evolving material and strongly supports aging as a trajectory in the free energy landscape dominated by local particle relaxations. The analyses and conclusions of this study may be 1) industrially relevant to products that age on commercial timescales, such as paints and pharmaceuticals, 2) applicable to other dynamically arrested systems, such as metallic glasses, and 3) used in the design of new materials. NIST Center for Neutron Research CNS cooperative agreement number #70NANB12H239 and NASA Grant No. NNX15AI19H.

Using microstructure observations to quantify fracture properties and improve reservoir simulations. Final report, September 1998

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laubach, S.E.; Marrett, R.; Rossen, W.

The research for this project provides new technology to understand and successfully characterize, predict, and simulate reservoir-scale fractures. Such fractures have worldwide importance because of their influence on successful extraction of resources. The scope of this project includes creation and testing of new methods to measure, interpret, and simulate reservoir fractures that overcome the challenge of inadequate sampling. The key to these methods is the use of microstructures as guides to the attributes of the large fractures that control reservoir behavior. One accomplishment of the project research is a demonstration that these microstructures can be reliably and inexpensively sampled. Specificmore » goals of this project were to: create and test new methods of measuring attributes of reservoir-scale fractures, particularly as fluid conduits, and test the methods on samples from reservoirs; extrapolate structural attributes to the reservoir scale through rigorous mathematical techniques and help build accurate and useful 3-D models of the interwell region; and design new ways to incorporate geological and geophysical information into reservoir simulation and verify the accuracy by comparison with production data. New analytical methods developed in the project are leading to a more realistic characterization of fractured reservoir rocks. Testing diagnostic and predictive approaches was an integral part of the research, and several tests were successfully completed.« less

New Mechanistic Models of Long Term Evolution of Microstructure and Mechanical Properties of Nickel Based Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kruzic, Jamie J.; Evans, T. Matthew; Greaney, P. Alex

The report describes the development of a discrete element method (DEM) based modeling approach to quantitatively predict deformation and failure of typical nickel based superalloys. A series of experimental data, including microstructure and mechanical property characterization at 600°C, was collected for a relatively simple, model solid solution Ni-20Cr alloy (Nimonic 75) to determine inputs for the model and provide data for model validation. Nimonic 75 was considered ideal for this study because it is a certified tensile and creep reference material. A series of new DEM modeling approaches were developed to capture the complexity of metal deformation, including cubic elasticmore » anisotropy and plastic deformation both with and without strain hardening. Our model approaches were implemented into a commercially available DEM code, PFC3D, that is commonly used by engineers. It is envisioned that once further developed, this new DEM modeling approach can be adapted to a wide range of engineering applications.« less

Prediction of cognitive and motor development in preterm children using exhaustive feature selection and cross-validation of near-term white matter microstructure.

PubMed

Schadl, Kornél; Vassar, Rachel; Cahill-Rowley, Katelyn; Yeom, Kristin W; Stevenson, David K; Rose, Jessica

2018-01-01

Advanced neuroimaging and computational methods offer opportunities for more accurate prognosis. We hypothesized that near-term regional white matter (WM) microstructure, assessed on diffusion tensor imaging (DTI), using exhaustive feature selection with cross-validation would predict neurodevelopment in preterm children. Near-term MRI and DTI obtained at 36.6 ± 1.8 weeks postmenstrual age in 66 very-low-birth-weight preterm neonates were assessed. 60/66 had follow-up neurodevelopmental evaluation with Bayley Scales of Infant-Toddler Development, 3rd-edition (BSID-III) at 18-22 months. Linear models with exhaustive feature selection and leave-one-out cross-validation computed based on DTI identified sets of three brain regions most predictive of cognitive and motor function; logistic regression models were computed to classify high-risk infants scoring one standard deviation below mean. Cognitive impairment was predicted (100% sensitivity, 100% specificity; AUC = 1) by near-term right middle-temporal gyrus MD, right cingulate-cingulum MD, left caudate MD. Motor impairment was predicted (90% sensitivity, 86% specificity; AUC = 0.912) by left precuneus FA, right superior occipital gyrus MD, right hippocampus FA. Cognitive score variance was explained (29.6%, cross-validated Rˆ2 = 0.296) by left posterior-limb-of-internal-capsule MD, Genu RD, right fusiform gyrus AD. Motor score variance was explained (31.7%, cross-validated Rˆ2 = 0.317) by left posterior-limb-of-internal-capsule MD, right parahippocampal gyrus AD, right middle-temporal gyrus AD. Search in large DTI feature space more accurately identified neonatal neuroimaging correlates of neurodevelopment.

Optimizing Discharge Capacity of Li-O 2 Batteries by Design of Air-Electrode Porous Structure: Multifidelity Modeling and Optimization

DOE PAGES

Pan, Wenxiao; Yang, Xiu; Bao, Jie; ...

2017-01-01

We develop a new mathematical framework to study the optimal design of air electrode microstructures for lithium-oxygen (Li-O2) batteries. It can eectively reduce the number of expensive experiments for testing dierent air-electrodes, thereby minimizing the cost in the design of Li-O2 batteries. The design parameters to characterize an air-electrode microstructure include the porosity, surface-to-volume ratio, and parameters associated with the pore-size distribution. A surrogate model (also known as response surface) for discharge capacity is rst constructed as a function of these design parameters. The surrogate model is accurate and easy to evaluate such that an optimization can be performed basedmore » on it. In particular, a Gaussian process regression method, co-kriging, is employed due to its accuracy and eciency in predicting high-dimensional responses from a combination of multidelity data. Specically, a small amount of data from high-delity simulations are combined with a large number of data obtained from computationally ecient low-delity simulations. The high-delity simulation is based on a multiscale modeling approach that couples the microscale (pore-scale) and macroscale (device-scale) models. Whereas, the low-delity simulation is based on an empirical macroscale model. The constructed response surface provides quantitative understanding and prediction about how air electrode microstructures aect the discharge performance of Li-O2 batteries. The succeeding sensitivity analysis via Sobol indices and optimization via genetic algorithm ultimately oer a reliable guidance on the optimal design of air electrode microstructures. The proposed mathematical framework can be generalized to investigate other new energy storage techniques and materials.« less

Optimizing Discharge Capacity of Li-O 2 Batteries by Design of Air-Electrode Porous Structure: Multifidelity Modeling and Optimization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Wenxiao; Yang, Xiu; Bao, Jie

We develop a new mathematical framework to study the optimal design of air electrode microstructures for lithium-oxygen (Li-O2) batteries. It can eectively reduce the number of expensive experiments for testing dierent air-electrodes, thereby minimizing the cost in the design of Li-O2 batteries. The design parameters to characterize an air-electrode microstructure include the porosity, surface-to-volume ratio, and parameters associated with the pore-size distribution. A surrogate model (also known as response surface) for discharge capacity is rst constructed as a function of these design parameters. The surrogate model is accurate and easy to evaluate such that an optimization can be performed basedmore » on it. In particular, a Gaussian process regression method, co-kriging, is employed due to its accuracy and eciency in predicting high-dimensional responses from a combination of multidelity data. Specically, a small amount of data from high-delity simulations are combined with a large number of data obtained from computationally ecient low-delity simulations. The high-delity simulation is based on a multiscale modeling approach that couples the microscale (pore-scale) and macroscale (device-scale) models. Whereas, the low-delity simulation is based on an empirical macroscale model. The constructed response surface provides quantitative understanding and prediction about how air electrode microstructures aect the discharge performance of Li-O2 batteries. The succeeding sensitivity analysis via Sobol indices and optimization via genetic algorithm ultimately oer a reliable guidance on the optimal design of air electrode microstructures. The proposed mathematical framework can be generalized to investigate other new energy storage techniques and materials.« less

A nonlinear mechanics model of bio-inspired hierarchical lattice materials consisting of horseshoe microstructures

PubMed Central

Ma, Qiang; Cheng, Huanyu; Jang, Kyung-In; Luan, Haiwen; Hwang, Keh-Chih; Rogers, John A.; Huang, Yonggang; Zhang, Yihui

2016-01-01

Development of advanced synthetic materials that can mimic the mechanical properties of non-mineralized soft biological materials has important implications in a wide range of technologies. Hierarchical lattice materials constructed with horseshoe microstructures belong to this class of bio-inspired synthetic materials, where the mechanical responses can be tailored to match the nonlinear J-shaped stress-strain curves of human skins. The underlying relations between the J-shaped stress-strain curves and their microstructure geometry are essential in designing such systems for targeted applications. Here, a theoretical model of this type of hierarchical lattice material is developed by combining a finite deformation constitutive relation of the building block (i.e., horseshoe microstructure), with the analyses of equilibrium and deformation compatibility in the periodical lattices. The nonlinear J-shaped stress-strain curves and Poisson ratios predicted by this model agree very well with results of finite element analyses (FEA) and experiment. Based on this model, analytic solutions were obtained for some key mechanical quantities, e.g., elastic modulus, Poisson ratio, peak modulus, and critical strain around which the tangent modulus increases rapidly. A negative Poisson effect is revealed in the hierarchical lattice with triangular topology, as opposed to a positive Poisson effect in hierarchical lattices with Kagome and honeycomb topologies. The lattice topology is also found to have a strong influence on the stress-strain curve. For the three isotropic lattice topologies (triangular, Kagome and honeycomb), the hierarchical triangular lattice material renders the sharpest transition in the stress-strain curve and relative high stretchability, given the same porosity and arc angle of horseshoe microstructure. Furthermore, a demonstrative example illustrates the utility of the developed model in the rapid optimization of hierarchical lattice materials for reproducing the desired stress-strain curves of human skins. This study provides theoretical guidelines for future designs of soft bio-mimetic materials with hierarchical lattice constructions. PMID:27087704

A nonlinear mechanics model of bio-inspired hierarchical lattice materials consisting of horseshoe microstructures

NASA Astrophysics Data System (ADS)

Ma, Qiang; Cheng, Huanyu; Jang, Kyung-In; Luan, Haiwen; Hwang, Keh-Chih; Rogers, John A.; Huang, Yonggang; Zhang, Yihui

2016-05-01

Development of advanced synthetic materials that can mimic the mechanical properties of non-mineralized soft biological materials has important implications in a wide range of technologies. Hierarchical lattice materials constructed with horseshoe microstructures belong to this class of bio-inspired synthetic materials, where the mechanical responses can be tailored to match the nonlinear J-shaped stress-strain curves of human skins. The underlying relations between the J-shaped stress-strain curves and their microstructure geometry are essential in designing such systems for targeted applications. Here, a theoretical model of this type of hierarchical lattice material is developed by combining a finite deformation constitutive relation of the building block (i.e., horseshoe microstructure), with the analyses of equilibrium and deformation compatibility in the periodical lattices. The nonlinear J-shaped stress-strain curves and Poisson ratios predicted by this model agree very well with results of finite element analyses (FEA) and experiment. Based on this model, analytic solutions were obtained for some key mechanical quantities, e.g., elastic modulus, Poisson ratio, peak modulus, and critical strain around which the tangent modulus increases rapidly. A negative Poisson effect is revealed in the hierarchical lattice with triangular topology, as opposed to a positive Poisson effect in hierarchical lattices with Kagome and honeycomb topologies. The lattice topology is also found to have a strong influence on the stress-strain curve. For the three isotropic lattice topologies (triangular, Kagome and honeycomb), the hierarchical triangular lattice material renders the sharpest transition in the stress-strain curve and relative high stretchability, given the same porosity and arc angle of horseshoe microstructure. Furthermore, a demonstrative example illustrates the utility of the developed model in the rapid optimization of hierarchical lattice materials for reproducing the desired stress-strain curves of human skins. This study provides theoretical guidelines for future designs of soft bio-mimetic materials with hierarchical lattice constructions.

A nonlinear mechanics model of bio-inspired hierarchical lattice materials consisting of horseshoe microstructures.

PubMed

Ma, Qiang; Cheng, Huanyu; Jang, Kyung-In; Luan, Haiwen; Hwang, Keh-Chih; Rogers, John A; Huang, Yonggang; Zhang, Yihui

2016-05-01

Development of advanced synthetic materials that can mimic the mechanical properties of non-mineralized soft biological materials has important implications in a wide range of technologies. Hierarchical lattice materials constructed with horseshoe microstructures belong to this class of bio-inspired synthetic materials, where the mechanical responses can be tailored to match the nonlinear J-shaped stress-strain curves of human skins. The underlying relations between the J-shaped stress-strain curves and their microstructure geometry are essential in designing such systems for targeted applications. Here, a theoretical model of this type of hierarchical lattice material is developed by combining a finite deformation constitutive relation of the building block (i.e., horseshoe microstructure), with the analyses of equilibrium and deformation compatibility in the periodical lattices. The nonlinear J-shaped stress-strain curves and Poisson ratios predicted by this model agree very well with results of finite element analyses (FEA) and experiment. Based on this model, analytic solutions were obtained for some key mechanical quantities, e.g., elastic modulus, Poisson ratio, peak modulus, and critical strain around which the tangent modulus increases rapidly. A negative Poisson effect is revealed in the hierarchical lattice with triangular topology, as opposed to a positive Poisson effect in hierarchical lattices with Kagome and honeycomb topologies. The lattice topology is also found to have a strong influence on the stress-strain curve. For the three isotropic lattice topologies (triangular, Kagome and honeycomb), the hierarchical triangular lattice material renders the sharpest transition in the stress-strain curve and relative high stretchability, given the same porosity and arc angle of horseshoe microstructure. Furthermore, a demonstrative example illustrates the utility of the developed model in the rapid optimization of hierarchical lattice materials for reproducing the desired stress-strain curves of human skins. This study provides theoretical guidelines for future designs of soft bio-mimetic materials with hierarchical lattice constructions.

Microstructural effects on constitutive and fatigue fracture behavior of TinSilverCopper solder

NASA Astrophysics Data System (ADS)

Tucker, Jonathon P.

As microelectronic package construction becomes more diverse and complex, the need for accurate, geometry-independent material constitutive and failure models increases. Evaluations of packages based on accelerated environmental tests (such as accelerated thermal cycling or power cycling) only provide package-dependent reliability information. In addition, extrapolations of such test data to life predictions under field conditions are often empirical. Besides geometry, accelerated environmental test data must account for microstructural factors such as alloy composition or isothermal aging condition, resulting in expensive experimental variation. In this work, displacement-controlled, creep, and fatigue lap shear tests are conducted on specially designed SnAgCu test specimens with microstructures representative to those found in commercial microelectronic packages. The data are used to develop constitutive and fatigue fracture material models capable of describing deformation and fracture behavior for the relevant temperature and strain rate ranges. Furthermore, insight is provided into the microstructural variation of solder joints and the subsequent effect on material behavior. These models are appropriate for application to packages of any geometrical construction. The first focus of the thesis is on Pb-mixed SnAgCu solder alloys. During the transition from Pb-containing solders to Pb-free solders, joints composed of a mixture of SnPb and SnAgCu often result from either mixed assemblies or rework. Three alloys of 1, 5 and 20 weight percent Pb were selected so as to represent reasonable ranges of Pb contamination expected from different 63Sn37Pb components mixed with Sn3.0Ag0.5Cu. Displacement-controlled (constant strain rate) and creep tests were performed at temperatures of 25°C, 75°C, and 125°C using a double lap shear test setup that ensures a nearly homogeneous state of plastic strain at the joint interface. Rate-dependent constitutive models for Pb-contaminated SnAgCu solder alloys ranging from the traditional time-hardening creep model to the viscoplastic Anand model are described. The second focus of the thesis is on fatigue damage accumulation in SnAgCu solder alloys. While, typical fatigue fracture models are empirical, recently a non-empirical model termed Maximum Entropy Fracture Model (MEFM) was proposed. MEFM is a thermodynamically consistent and information theory inspired damage accumulation theory for ductile solids. This model has been validated recently for Sn3.8Ag0.7Cu solder alloy, and uses a single damage accumulation parameter to relate the probability of fracture to accumulated entropic dissipation. Isothermal cycling fatigue tests on Sn3.0Ag0.5Cu and mixed SnPb/Sn3.0Ag0.5Cu solder alloys at varying strain rates and temperatures are conducted using a custom-built microscale mechanical tester capable of submicron displacement resolution. MEFM is applied here in conjunction with the Anand viscoplasticity model to predict the softening occurring over successive cycles as a result of damage accumulation. The damage accumulation parameters for Sn3.0Ag0.5Cu in different aged states are related to a microstructural parameter which quantitatively describes the state of coarsening. In addition, damage accumulation parameters for the three mixed solder alloys are reported. This approach allows for a non-empirical prediction of both constitutive and fracture behavior of packages of different geometries and different microstructural states under thermo-mechanical fatigue. Approaches to solder joint reliability predictions from materials science and mechanics perspectives differ dramatically. Materials science methods identify key failure mechanisms, but most models cannot predict failure. In contrast, mechanics approaches often provide estimates of joint lifetime, but fail to provide insight into microstructural influences. This work attempts to connect the two fields by relating constitutive behavior and fatigue fracture models for different alloys and aging conditions to one or more microstructural parameters.

Evaluation of factors affecting the edge formability of two hot rolled multiphase steels

NASA Astrophysics Data System (ADS)

Mukherjee, Monideepa; Tiwari, Sumit; Bhattacharya, Basudev

2018-02-01

In this study, the effect of various factors on the hole expansion ratio and hence on the edge formability of two hot rolled multiphase steels, one with a ferrite-martensite microstructure and the other with a ferrite-bainite microstructure, was investigated through systematic microstructural and mechanical characterization. The study revealed that the microstructure of the steels, which determines their strain hardening capacity and fracture resistance, is the principal factor controlling edge formability. The influence of other factors such as tensile strength, ductility, anisotropy, and thickness, though present, are secondary. A critical evaluation of the available empirical models for hole expansion ratio prediction is also presented.

An Update on Design Tools for Optimization of CMC 3D Fiber Architectures

NASA Technical Reports Server (NTRS)

Lang, J.; DiCarlo, J.

2012-01-01

Objective: Describe and up-date progress for NASA's efforts to develop 3D architectural design tools for CMC in general and for SIC/SiC composites in particular. Describe past and current sequential work efforts aimed at: Understanding key fiber and tow physical characteristics in conventional 2D and 3D woven architectures as revealed by microstructures in the literature. Developing an Excel program for down-selecting and predicting key geometric properties and resulting key fiber-controlled properties for various conventional 3D architectures. Developing a software tool for accurately visualizing all the key geometric details of conventional 3D architectures. Validating tools by visualizing and predicting the Internal geometry and key mechanical properties of a NASA SIC/SIC panel with a 3D orthogonal architecture. Applying the predictive and visualization tools toward advanced 3D orthogonal SiC/SIC composites, and combining them into a user-friendly software program.

Relationships between microstructure and mechanical properties of Ti-5Al-5Mo-5V-3Cr-1Zr alloy

NASA Astrophysics Data System (ADS)

Li, Z. Y.; Wu, G. Q.; Huang, Z.

2018-03-01

Through a statistical, quantitative analysis on microstructure of Ti-5Al-5Mo-5V-3Cr-1Zr (Ti55531) alloy, the relationships between microstructure and mechanical properties and heat treatment temperatures were investigated. The results show that in Widmanstätten structure, the size of β grain is greatly increased with increasing annealing temperature. Static toughness is related to grain boundary alpha phase discontinuity, the tensile strength is related to acicular alpha phase interface length and acicular alpha phase proportion. In duplex microstructure, the tensile strength is related to the equiaxed alpha proportion. Elongation, static toughness and crack forming work are related to the equiaxed alpha proportion and negatively related to secondary phase proportion. The microstructure can be described quantitatively and the mechanical properties can be predicted by analysis of microstructure.

Role of Dynamic Nucleation at Moving Boundaries in Phase and Microstructure Selection

NASA Technical Reports Server (NTRS)

Karma, Alain; Trivedi, Rohit

1999-01-01

Solidification microstructures that form under steady-state growth conditions (cells, dendrites, regular eutectics, etc.) are reasonably well understood in comparison to other, more complex microstructures, which form under intrinsically non-steady-state growth conditions due to the competition between the nucleation and growth of several phases. Some important practical examples in this latter class include microstructures forming in peritectic systems in highly undercooled droplets, and in strip cast stainless steels. Prediction of phase and microstructure selection in these systems has been traditionally based on (1) heterogeneous nucleation on a static interface, and (2) comparing the relative growth rate of different phase/microstructures under steady-state growth conditions. The formation of new phases, however, occurs via nucleation on, or ahead of, a moving boundary. In addition, the actual selection process is controlled by a complex interaction between the nucleation process and the growth competition between the nuclei and the pre-existing phase under non-steady-state conditions. As a result, it is often difficult to predict which microstructure will form and which phases will be selected under prescribed processing conditions. This research addresses this critical role of nucleation at moving boundaries in the selection of phases and solidification microstructures through quantitative experiments and numerical modeling in peritectic systems. In order to create a well characterized system in which to study this problem, we focus on the directional solidification of hypo- and hyper-peritectic alloys in the two-phase region, imposing a large enough ratio of temperature gradient/growth rate (G/V(sub p)) to suppress the morphological instability of both the parent (alpha) and peritectic (Beta) phases, i.e. each phase alone would grow as a planar front. Our combined experimental and theoretical results show that, already in this simplified case, the growth competition of these two phases leads to a rich variety of microstructures that depend sensitively upon the relative importance of nucleation, diffusion, and convection.

Ultrasonic nondestructive evaluation, microstructure, and mechanical property interrelations

NASA Technical Reports Server (NTRS)

Vary, A.

1984-01-01

Ultrasonic techniques for mechanical property characterizations are reviewed and conceptual models are advanced for explaining and interpreting the empirically based results. At present, the technology is generally empirically based and is emerging from the research laboratory. Advancement of the technology will require establishment of theoretical foundations for the experimentally observed interrelations among ultrasonic measurements, mechanical properties, and microstructure. Conceptual models are applied to ultrasonic assessment of fracture toughness to illustrate an approach for predicting correlations found among ultrasonic measurements, microstructure, and mechanical properties.

Final Project Report CFA-14-6357: A New Paradigm for Understanding Multiphase Ceramic Waste Form Performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brinkman, Kyle; Bordia, Rajendra; Reifsnider, Kenneth

This project fabricated model multiphase ceramic waste forms with processing-controlled microstructures followed by advanced characterization with synchrotron and electron microscopy-based 3D tomography to provide elemental and chemical state-specific information resulting in compositional phase maps of ceramic composites. Details of 3D microstructural features were incorporated into computer-based simulations using durability data for individual constituent phases as inputs in order to predict the performance of multiphase waste forms with varying microstructure and phase connectivity.

Grain dissection as a grain size reducing mechanism during ice microdynamics

NASA Astrophysics Data System (ADS)

Steinbach, Florian; Kuiper, Ernst N.; Eichler, Jan; Bons, Paul D.; Drury, Martin R.; Griera, Albert; Pennock, Gill M.; Weikusat, Ilka

2017-04-01

Ice sheets are valuable paleo-climate archives, but can lose their integrity by ice flow. An understanding of the microdynamic mechanisms controlling the flow of ice is essential when assessing climatic and environmental developments related to ice sheets and glaciers. For instance, the development of a consistent mechanistic grain size law would support larger scale ice flow models. Recent research made significant progress in numerically modelling deformation and recrystallisation mechanisms in the polycrystalline ice and ice-air aggregate (Llorens et al., 2016a,b; Steinbach et al., 2016). The numerical setup assumed grain size reduction is achieved by the progressive transformation of subgrain boundaries into new high angle grain boundaries splitting an existing grain. This mechanism is usually termed polygonisation. Analogue experiments suggested, that strain induced grain boundary migration can cause bulges to migrate through the whole of a grain separating one region of the grain from another (Jessell, 1986; Urai, 1987). This mechanism of grain dissection could provide an alternative grain size reducing mechanism, but has not yet been observed during ice microdynamics. In this contribution, we present results using an updated numerical approach allowing for grain dissection. The approach is based on coupling the full field theory crystal visco-plasticity code (VPFFT) of Lebensohn (2001) to the multi-process modelling platform Elle (Bons et al., 2008). VPFFT predicts the mechanical fields resulting from short strain increments, dynamic recrystallisation process are implemented in Elle. The novel approach includes improvements to allow for grain dissection, which was topologically impossible during earlier simulations. The simulations are supported by microstructural observations from NEEM (North Greenland Eemian Ice Drilling) ice core. Mappings of c-axis orientations using the automatic fabric analyser and full crystallographic orientations using electron backscatter diffraction (EBSD) are presented. Numerical simulations predict and resolve the microstructural evolution over strain and time. The occurrence of processes such as grain dissection can only be proven using such time resolved movies of microstructure evolution. We will present movies that show grain dissection as a common process during the simulations. Microstructures obtained from NEEM ice core support the observations and we provide evidence for grain dissection in natural ice. Grain dissection is observed to be most efficient relative to polygonisation, when the microstructure approaches steady state grain sizes. This is consistent with analogue experiments observing grain dissection by Jessell (1986) and Urai (1987). Our research suggests a novel grain size reducing mechanisms in ice microdynamics that should be considered when developing a consistent grain size law.

Creep resistance. [of high temperature alloys

NASA Technical Reports Server (NTRS)

Tien, J. K.; Malu, M.; Purushothaman, S.

1976-01-01

High-temperature structural applications usually require creep resistance because some average stress is maintained for prolonged periods. Alloy and microstructural design guidelines for creep resistance are presented through established knowledge on creep behavior and its functional dependences on alloy microstructure. Important considerations related to creep resistance of alloys as well as those that are harmful to high-temperature properties are examined. Although most of the creep models do not predict observed creep behavior quantitatively, they are sophisticated enough to provide alloy or microstructural design guidelines. It is shown that creep-resistant microstructures are usually in conflict with microstructures that improve such other properties as stress rupture ductility. Greater understanding of the effects of environments on creep and stress rupture behavior of materials is necessary before one can optimally design alloys for applications in different environments.

Convection-induced distortion of a solid-liquid interface

NASA Technical Reports Server (NTRS)

Schaefer, R. J.; Coriell, S. R.

1984-01-01

Measurements of convective flow fields and solid-liquid interface shapes during the solidification of a pure and a slightly alloyed transparent material reveal that the convective transport of solute can cause a macroscopic depression to develop in the solid-liquid interface. This effect occurs under conditions close to those which are predicted to produce morphological instability of a planar interface. A cellular or dendritic microstructure later develops within the interface depression. The convection is attributed to the effect of radial temperature gradients in the crystal growth apparatus.

Multi-Scale Modeling of Microstructural Evolution in Structural Metallic Systems

NASA Astrophysics Data System (ADS)

Zhao, Lei

Metallic alloys are a widely used class of structural materials, and the mechanical properties of these alloys are strongly dependent on the microstructure. Therefore, the scientific design of metallic materials with superior mechanical properties requires the understanding of the microstructural evolution. Computational models and simulations offer a number of advantages over experimental techniques in the prediction of microstructural evolution, because they can allow studies of microstructural evolution in situ, i.e., while the material is mechanically loaded (meso-scale simulations), and bring atomic-level insights into the microstructure (atomistic simulations). In this thesis, we applied a multi-scale modeling approach to study the microstructural evolution in several metallic systems, including polycrystalline materials and metallic glasses (MGs). Specifically, for polycrystalline materials, we developed a coupled finite element model that combines phase field method and crystal plasticity theory to study the plasticity effect on grain boundary (GB) migration. Our model is not only coupled strongly (i.e., we include plastic driving force on GB migration directly) and concurrently (i.e., coupled equations are solved simultaneously), but also it qualitatively captures such phenomena as the dislocation absorption by mobile GBs. The developed model provides a tool to study the microstructural evolution in plastically deformed metals and alloys. For MGs, we used molecular dynamics (MD) simulations to investigate the nucleation kinetics in the primary crystallization in Al-Sm system. We calculated the time-temperature-transformation curves for low Sm concentrations, from which the strong suppressing effect of Sm solute on Al nucleation and its influencing mechanism are revealed. Also, through the comparative analysis of both Al attachment and Al diffusion in MGs, it has been found that the nucleation kinetics is controlled by interfacial attachment of Al, and that the attachment behavior takes place collectively and heterogeneously, similarly to Al diffusion in MGs. Finally, we applied the MD technique to study the origin of five-fold twinning nucleation during the solidification of Al base alloys. We studied several model alloys and reported the observed nucleation pathway. We found that the key factors controlling the five-fold twinning are the twin boundary energy and the formation of pentagon structures, and the twin boundary energy plays the dominant role in the five-fold twinning in the model alloys studied.

Thermal Microstructural Stability of AZ31 Magnesium after Severe Plastic Deformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Young, John P.; Askari, Hesam A.; Hovanski, Yuri

2015-03-01

Both equal channel angular pressing and friction stir processing have the ability to refine the grain size of twin roll cast AZ31 magnesium and potentially improve its superplastic properties. This work used isochronal and isothermal heat treatments to investigate the microstructural stability of twin roll cast, equal channel angular pressed and friction stir processed AZ31 magnesium. For both heat treatment conditions, it was found that the twin roll casted and equal channel angular pressed materials were more stable than the friction stir processed material. Calculations of the grain growth kinetics showed that severe plastic deformation processing decreased the activation energymore » for grain boundary motion with the equal channel angular pressed material having the greatest Q value of the severely plastically deformed materials and that increasing the tool travel speed of the friction stir processed material improved microstructural stability. The Hollomon-Jaffe parameter was found to be an accurate means of identifying the annealing conditions that will result in substantial grain growth and loss of potential superplastic properties in the severely plastically deformed materials. In addition, Humphreys’s model of cellular microstructural stability accurately predicted the relative microstructural stability of the severely plastically deformed materials and with some modification, closely predicted the maximum grain size ratio achieved by the severely plastically deformed materials.« less

Microstructure-sensitive small fatigue crack growth assessment. Effect of strain ratio multiaxial strain state and geometric discontinuities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Castelluccio, Gustavo M.; McDowell, David L.

Fatigue crack initiation in the high cycle fatigue regime is strongly influenced by microstructural features. Research efforts have usually focused on predicting fatigue resistance against crack incubation without considering the early fatigue crack growth after encountering the first grain boundary. However, a significant fraction of the variability of the total fatigue life can be attributed to growth of small cracks as they encounter the first few grain boundaries, rather than crack formation within the first grain. Our paper builds on the framework previously developed by the authors to assess microstructure-sensitive small fatigue crack formation and early growth under complex loadingmore » conditions. Moreover, the scheme employs finite element simulations that explicitly render grains and crystallographic directions along with simulation of microstructurally small fatigue crack growth from grain to grain. The methodology employs a crystal plasticity algorithm in ABAQUS that was previously calibrated to study fatigue crack initiation in RR1000 Ni-base superalloy. Our work present simulations with non-zero applied mean strains and geometric discontinuities that were not previously considered for calibration. Results exhibit trends similar to those found in experiments for multiple metallic materials, conveying a consistent physical description of fatigue damage phenomena.« less

Microstructure-sensitive small fatigue crack growth assessment. Effect of strain ratio multiaxial strain state and geometric discontinuities

DOE PAGES

Castelluccio, Gustavo M.; McDowell, David L.

2015-09-16

Fatigue crack initiation in the high cycle fatigue regime is strongly influenced by microstructural features. Research efforts have usually focused on predicting fatigue resistance against crack incubation without considering the early fatigue crack growth after encountering the first grain boundary. However, a significant fraction of the variability of the total fatigue life can be attributed to growth of small cracks as they encounter the first few grain boundaries, rather than crack formation within the first grain. Our paper builds on the framework previously developed by the authors to assess microstructure-sensitive small fatigue crack formation and early growth under complex loadingmore » conditions. Moreover, the scheme employs finite element simulations that explicitly render grains and crystallographic directions along with simulation of microstructurally small fatigue crack growth from grain to grain. The methodology employs a crystal plasticity algorithm in ABAQUS that was previously calibrated to study fatigue crack initiation in RR1000 Ni-base superalloy. Our work present simulations with non-zero applied mean strains and geometric discontinuities that were not previously considered for calibration. Results exhibit trends similar to those found in experiments for multiple metallic materials, conveying a consistent physical description of fatigue damage phenomena.« less

Through-process modelling of texture and anisotropy in AA5182

NASA Astrophysics Data System (ADS)

Crumbach, M.; Neumann, L.; Goerdeler, M.; Aretz, H.; Gottstein, G.; Kopp, R.

2006-07-01

A through-process texture and anisotropy prediction for AA5182 sheet production from hot rolling through cold rolling and annealing is reported. Thermo-mechanical process data predicted by the finite element method (FEM) package T-Pack based on the software LARSTRAN were fed into a combination of physics based microstructure models for deformation texture (GIA), work hardening (3IVM), nucleation texture (ReNuc), and recrystallization texture (StaRT). The final simulated sheet texture was fed into a FEM simulation of cup drawing employing a new concept of interactively updated texture based yield locus predictions. The modelling results of texture development and anisotropy were compared to experimental data. The applicability to other alloys and processes is discussed.

Corrosion-induced microstructural developments in 316 stainless steel during exposure to molten Li2BeF4(FLiBe) salt

NASA Astrophysics Data System (ADS)

Zheng, Guiqiu; He, Lingfeng; Carpenter, David; Sridharan, Kumar

2016-12-01

The microstructural developments in the near-surface regions of AISI 316 stainless steel during exposure to molten Li2BeF4 (FLiBe) salt have been investigated with the goal of using this material for the construction of the fluoride salt-cooled high-temperature reactor (FHR), a leading nuclear reactor concept for the next generation nuclear plants (NGNP). Tests were conducted in molten FLiBe salt (melting point: 459 °C) at 700 °C in graphite crucibles and 316 stainless steel crucibles for exposure duration of up to 3000 h. Corrosion-induced microstructural changes in the near-surface regions of the samples were characterized using scanning electron microscopy (SEM) in conjunction with energy dispersive x-ray spectroscopy (EDS) and electron backscatter diffraction (EBSD), and scanning transmission electron microscopy (STEM) with EDS capabilities. Intergranular corrosion attack in the near-surface regions was observed with associated Cr depletion along the grain boundaries. High-angle grain boundaries (15-180°) were particularly prone to intergranular attack and Cr depletion. The depth of attack extended to the depths of 22 μm after 3000-h exposure for the samples tested in graphite crucible, while similar exposure in 316 stainless steel crucible led to the attack depths of only about 11 μm. Testing in graphite crucibles led to the formation of nanometer-scale Mo2C, Cr7C3 and Al4C3 particle phases in the near-surface regions of the material. The copious depletion of Cr in the near-surface regions induced a γ-martensite to α-ferrite phase (FeNix) transformation. Based on the microstructural analysis, a thermal diffusion controlled corrosion model was developed and experimentally validated for predicting long-term corrosion attack depth.

The Prediction of Microstructure Evolution of 6005A Aluminum Alloy in a P-ECAP Extrusion Study

NASA Astrophysics Data System (ADS)

Lei, Shi; Jiu-Ba, Wen; Chang, Ren

2018-05-01

Finite element modeling (FEM) was applied for predicting the recrystallized structure in extruded 6005 aluminum alloy, and simulated results were experimentally validated. First, microstructure evolution of 6005 aluminum alloy during deformation was studied by means of isothermal compression test, where the processing parameters were chosen to reproduce the typical industrial conditions. Second, microstructure evolution was analyzed, and the obtained information was used to fit a dynamic recrystallization model implementing inside the DEFORM-3D FEM code environment. FEM of deformation of 6005 aluminum has been established and validated by microstructure comparison. Finally, the obtained dynamic recrystallization model was applied to tube extrusion by using a portholes-equal channel angular pressing die. The finite element analysis results showed that coarse DRX grains occur in the extruded tube at higher temperature and in the extruded tube at the faster speed of the stem. The test results showed material from the front end of the extruded tube has coarse grains (60 μm) and other extruded tube has finer grains (20 μm).

The Prediction of Microstructure Evolution of 6005A Aluminum Alloy in a P-ECAP Extrusion Study

NASA Astrophysics Data System (ADS)

Lei, Shi; Jiu-Ba, Wen; Chang, Ren

2018-04-01

Finite element modeling (FEM) was applied for predicting the recrystallized structure in extruded 6005 aluminum alloy, and simulated results were experimentally validated. First, microstructure evolution of 6005 aluminum alloy during deformation was studied by means of isothermal compression test, where the processing parameters were chosen to reproduce the typical industrial conditions. Second, microstructure evolution was analyzed, and the obtained information was used to fit a dynamic recrystallization model implementing inside the DEFORM-3D FEM code environment. FEM of deformation of 6005 aluminum has been established and validated by microstructure comparison. Finally, the obtained dynamic recrystallization model was applied to tube extrusion by using a portholes-equal channel angular pressing die. The finite element analysis results showed that coarse DRX grains occur in the extruded tube at higher temperature and in the extruded tube at the faster speed of the stem. The test results showed material from the front end of the extruded tube has coarse grains (60 μm) and other extruded tube has finer grains (20 μm).

Microstructure-based hyperelastic models for closed-cell solids

PubMed Central

Wyatt, Hayley

2017-01-01

For cellular bodies involving large elastic deformations, mesoscopic continuum models that take into account the interplay between the geometry and the microstructural responses of the constituents are developed, analysed and compared with finite-element simulations of cellular structures with different architecture. For these models, constitutive restrictions for the physical plausibility of the material responses are established, and global descriptors such as nonlinear elastic and shear moduli and Poisson’s ratio are obtained from the material characteristics of the constituents. Numerical results show that these models capture well the mechanical responses of finite-element simulations for three-dimensional periodic structures of neo-Hookean material with closed cells under large tension. In particular, the mesoscopic models predict the macroscopic stiffening of the structure when the stiffness of the cell-core increases. PMID:28484340

Microstructure-based hyperelastic models for closed-cell solids.

PubMed

Mihai, L Angela; Wyatt, Hayley; Goriely, Alain

2017-04-01

For cellular bodies involving large elastic deformations, mesoscopic continuum models that take into account the interplay between the geometry and the microstructural responses of the constituents are developed, analysed and compared with finite-element simulations of cellular structures with different architecture. For these models, constitutive restrictions for the physical plausibility of the material responses are established, and global descriptors such as nonlinear elastic and shear moduli and Poisson's ratio are obtained from the material characteristics of the constituents. Numerical results show that these models capture well the mechanical responses of finite-element simulations for three-dimensional periodic structures of neo-Hookean material with closed cells under large tension. In particular, the mesoscopic models predict the macroscopic stiffening of the structure when the stiffness of the cell-core increases.

Microstructure-based hyperelastic models for closed-cell solids

NASA Astrophysics Data System (ADS)

Mihai, L. Angela; Wyatt, Hayley; Goriely, Alain

2017-04-01

For cellular bodies involving large elastic deformations, mesoscopic continuum models that take into account the interplay between the geometry and the microstructural responses of the constituents are developed, analysed and compared with finite-element simulations of cellular structures with different architecture. For these models, constitutive restrictions for the physical plausibility of the material responses are established, and global descriptors such as nonlinear elastic and shear moduli and Poisson's ratio are obtained from the material characteristics of the constituents. Numerical results show that these models capture well the mechanical responses of finite-element simulations for three-dimensional periodic structures of neo-Hookean material with closed cells under large tension. In particular, the mesoscopic models predict the macroscopic stiffening of the structure when the stiffness of the cell-core increases.

Layered synthetic microstructures as Bragg diffractors for X rays and extreme ultraviolet - Theory and predicted performance

NASA Technical Reports Server (NTRS)

Underwood, J. H.; Barbee, T. W., Jr.

1981-01-01

The theory of X-ray diffraction by periodic structures is applied to the layered synthetic microstructures (LSMs) made possible by recent developments in thin film technology, and approximate formulas for estimating their performance are presented. A more complete computation scheme based on optical multilayer theory is also described, and it is shown that the diffracting properties may be tailored to specific applications by adjusting the refractive indices and thicknesses of the component layers. The theory may be modified to take account of imperfections in the LMS structure, and the properties of nonperiodic structures thereby computed. Structures with high integrated reflectivity constructed according to the methods defined have potential application in many areas of X-ray or EUV research and instrumentation.

Assessment of delta ferrite in multipass TIG welds of 40 mm thick SS 316L: A comparative study of ferrite number (FN) prediction and measurements

NASA Astrophysics Data System (ADS)

Buddu, Ramesh Kumar; Raole, P. M.; Sarkar, B.

2017-04-01

Austenitic stainless steels are widely used in the fabrication of fusion reactor major systems like vacuum vessel, divertor, cryostat and other structural components development. Multipass welding is used for the development of thick plates for the structural components fabrication. Due to the repeated weld thermal cycles, the microstructure adversely alters owing to the presence of complex phases like austenite, ferrite and delta ferrite and subsequently influences the mechanical properties like tensile and impact toughness of joints. The present paper reports the detail analysis of delta ferrite phase in welded region of 40 mm thick SS316L plates welded by special design multipass narrow groove TIG welding process under three different heat input conditions. The correlation of delta ferrite microstructure of different type structures acicular and vermicular is observed. The chemical composition of weld samples was used to predict the Ferrite Number (FN), which is representative form of delta ferrite in welds, with Schaeffler’s, WRC-1992 diagram and DeLong techniques by calculating the Creq and Nieq ratios and compared with experimental data of FN from Feritescope measurements. The low heat input conditions (1.67 kJ/mm) have produced higher FN (7.28), medium heat input (1.72 kJ/mm) shown FN (7.04) where as high heat input (1.87 kJ/mm) conditions has shown FN (6.68) decreasing trend and FN data is compared with the prediction methods.

A microstructure sensitive study of rolling contact fatigue in bearing steels: A numerical and experimental approach

NASA Astrophysics Data System (ADS)

Pandkar, Anup Surendra

Bearings are an integral part of machine components that transmit rotary power such as cars, motors, engines etc. Safe bearing operation is essential to avoid serious failures and accidents, which necessitates their timely replacement. This calls for an accurate bearing life prediction methods. Based on the Lundberg-Palmgen (LP) model, current life models consistently under predict bearings lives. Improvement in life prediction requires understanding of the bearing failure mechanism i.e. Rolling Contact Fatigue (RCF). The goal of this research is to develop a mechanistic framework required for an improved bearing life prediction model. Such model should account for metal plasticity, influence of microstructural features and cyclically evolving stressstrain fields induced during RCF. To achieve this, elastic-plastic finite element (FE) study is undertaken to investigate the response of M50-NiL bearing steel during RCF. Specifically, a microstructure sensitive study of the influence of non-metallic inclusions on RCF response of bearings is presented. M50-NiL microstructure consists of carbides which are orders of magnitude smaller than bearing dimensions. To account for this size difference, a multi-scale FE modeling approach is employed. The FE results reveal that hard carbide particles act as local stress risers, alter surrounding stressstrain fields and cause micro-scale yielding of steel matrix. Moreover, they introduce a shear stress cycle with non-zero mean stress, which promotes micro-plastic strain accumulation via ratcheting mechanism. Localized ratcheting is primarily responsible for cyclic hardening within the RCF affected region. Such evolution of subsurface hardness can be used to quantify RCF induced damage. To investigate this further, cyclic hardening response of the RCF affected region is simulated. The results show good agreement with the experimental observations. The cyclic stress-strain fields obtained from these simulations and the knowledge of hardness evolution can prove useful for future improvements to life models. The material parameters required for FE simulations are not available for many bearing steels. A novel method is presented to estimate these parameters for M50-NiL using the experimental results. Based on logical assumptions, this method provides meaningful estimates of material parameters. Modeling techniques and conclusions drawn from this research are helpful for improvements in life models.

Multiphysics Modeling and Simulations of Mil A46100 Armor-Grade Martensitic Steel Gas Metal Arc Welding Process

NASA Astrophysics Data System (ADS)

Grujicic, M.; Ramaswami, S.; Snipes, J. S.; Yen, C.-F.; Cheeseman, B. A.; Montgomery, J. S.

2013-10-01

A multiphysics computational model has been developed for the conventional Gas Metal Arc Welding (GMAW) joining process and used to analyze butt-welding of MIL A46100, a prototypical high-hardness armor martensitic steel. The model consists of five distinct modules, each covering a specific aspect of the GMAW process, i.e., (a) dynamics of welding-gun behavior; (b) heat transfer from the electric arc and mass transfer from the electrode to the weld; (c) development of thermal and mechanical fields during the GMAW process; (d) the associated evolution and spatial distribution of the material microstructure throughout the weld region; and (e) the final spatial distribution of the as-welded material properties. To make the newly developed GMAW process model applicable to MIL A46100, the basic physical-metallurgy concepts and principles for this material have to be investigated and properly accounted for/modeled. The newly developed GMAW process model enables establishment of the relationship between the GMAW process parameters (e.g., open circuit voltage, welding current, electrode diameter, electrode-tip/weld distance, filler-metal feed speed, and gun travel speed), workpiece material chemistry, and the spatial distribution of as-welded material microstructure and properties. The predictions of the present GMAW model pertaining to the spatial distribution of the material microstructure and properties within the MIL A46100 weld region are found to be consistent with general expectations and prior observations.

Microstructurally-sensitive fatigue crack nucleation in Ni-based single and oligo crystals

NASA Astrophysics Data System (ADS)

Chen, Bo; Jiang, Jun; Dunne, Fionn P. E.

2017-09-01

An integrated experimental, characterisation and computational crystal plasticity study of cyclic plastic beam loading has been carried out for nickel single crystal (CMSX4) and oligocrystal (MAR002) alloys in order to assess quantitatively the mechanistic drivers for fatigue crack nucleation. The experimentally validated modelling provides knowledge of key microstructural quantities (accumulated slip, stress and GND density) at experimentally observed fatigue crack nucleation sites and it is shown that while each of these quantities is potentially important in crack nucleation, none of them in its own right is sufficient to be predictive. However, the local (elastic) stored energy density, measured over a length scale determined by the density of SSDs and GNDs, has been shown to predict crack nucleation sites in the single and oligocrystals tests. In addition, once primary nucleated cracks develop and are represented in the crystal model using XFEM, the stored energy correctly identifies where secondary fatigue cracks are observed to nucleate in experiments. This (Griffith-Stroh type) quantity also correctly differentiates and explains intergranular and transgranular fatigue crack nucleation.

Anomaly detection of microstructural defects in continuous fiber reinforced composites

NASA Astrophysics Data System (ADS)

Bricker, Stephen; Simmons, J. P.; Przybyla, Craig; Hardie, Russell

2015-03-01

Ceramic matrix composites (CMC) with continuous fiber reinforcements have the potential to enable the next generation of high speed hypersonic vehicles and/or significant improvements in gas turbine engine performance due to their exhibited toughness when subjected to high mechanical loads at extreme temperatures (2200F+). Reinforced fiber composites (RFC) provide increased fracture toughness, crack growth resistance, and strength, though little is known about how stochastic variation and imperfections in the material effect material properties. In this work, tools are developed for quantifying anomalies within the microstructure at several scales. The detection and characterization of anomalous microstructure is a critical step in linking production techniques to properties, as well as in accurate material simulation and property prediction for the integrated computation materials engineering (ICME) of RFC based components. It is desired to find statistical outliers for any number of material characteristics such as fibers, fiber coatings, and pores. Here, fiber orientation, or `velocity', and `velocity' gradient are developed and examined for anomalous behavior. Categorizing anomalous behavior in the CMC is approached by multivariate Gaussian mixture modeling. A Gaussian mixture is employed to estimate the probability density function (PDF) of the features in question, and anomalies are classified by their likelihood of belonging to the statistical normal behavior for that feature.

Simulated Fission Gas Behavior in Silicide Fuel at LWR Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miao, Yinbin; Mo, Kun; Yacout, Abdellatif

As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U 3Si 2) at LWR conditions needs to be well-understood. However, existing experimental post-irradiation examination (PIE) data are limited to the research reactor conditions, which involve lower fuel temperature compared to LWR conditions. This lack of appropriate experimental data significantly affects the development of fuel performance codes that can precisely predict the microstructure evolution and property degradation at LWR conditions, and therefore evaluate the qualification of U 3Si 2 as an AFT for LWRs. Considering the high cost,more » long timescale, and restrictive access of the in-pile irradiation experiments, this study aims to utilize ion irradiation to simulate the inpile behavior of the U 3Si 2 fuel. Both in situ TEM ion irradiation and ex situ high-energy ATLAS ion irradiation experiments were employed to simulate different types of microstructure modifications in U 3Si 2. Multiple PIE techniques were used or will be used to quantitatively analyze the microstructure evolution induced by ion irradiation so as to provide valuable reference for the development of fuel performance code prior to the availability of the in-pile irradiation data.« less

A Model for Predicting Grain Boundary Cracking in Polycrystalline Viscoplastic Materials Including Scale Effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allen, D.H.; Helms, K.L.E.; Hurtado, L.D.

1999-04-06

A model is developed herein for predicting the mechanical response of inelastic crystalline solids. Particular emphasis is given to the development of microstructural damage along grain boundaries, and the interaction of this damage with intragranular inelasticity caused by dislocation dissipation mechanisms. The model is developed within the concepts of continuum mechanics, with special emphasis on the development of internal boundaries in the continuum by utilizing a cohesive zone model based on fracture mechanics. In addition, the crystalline grains are assumed to be characterized by nonlinear viscoplastic mechanical material behavior in order to account for dislocation generation and migration. Due tomore » the nonlinearities introduced by the crack growth and viscoplastic constitution, a numerical algorithm is utilized to solve representative problems. Implementation of the model to a finite element computational algorithm is therefore briefly described. Finally, sample calculations are presented for a polycrystalline titanium alloy with particular focus on effects of scale on the predicted response.« less

A Mass Diffusion Model for Dry Snow Utilizing a Fabric Tensor to Characterize Anisotropy

NASA Astrophysics Data System (ADS)

Shertzer, Richard H.; Adams, Edward E.

2018-03-01

A homogenization algorithm for randomly distributed microstructures is applied to develop a mass diffusion model for dry snow. Homogenization is a multiscale approach linking constituent behavior at the microscopic level—among ice and air—to the macroscopic material—snow. Principles of continuum mechanics at the microscopic scale describe water vapor diffusion across an ice grain's surface to the air-filled pore space. Volume averaging and a localization assumption scale up and down, respectively, between microscopic and macroscopic scales. The model yields a mass diffusivity expression at the macroscopic scale that is, in general, a second-order tensor parameterized by both bulk and microstructural variables. The model predicts a mass diffusivity of water vapor through snow that is less than that through air. Mass diffusivity is expected to decrease linearly with ice volume fraction. Potential anisotropy in snow's mass diffusivity is captured due to the tensor representation. The tensor is built from directional data assigned to specific, idealized microstructural features. Such anisotropy has been observed in the field and laboratories in snow morphologies of interest such as weak layers of depth hoar and near-surface facets.

Modeling the Controlled Recrystallization of Particle-Containing Aluminum Alloys

NASA Astrophysics Data System (ADS)

Adam, Khaled; Root, Jameson M.; Long, Zhengdong; Field, David P.

2017-01-01

The recrystallized fraction for AA7050 during the solution heat treatment is highly dependent upon the history of deformation during thermomechanical processing. In this work, a state variable model was developed to predict the recrystallization volume fraction as a function of processing parameters. Particle stimulated nucleation (PSN) was observed as a dominant mechanism of recrystallization in AA7050. The mesoscale Monte Carlo Potts model was used to simulate the evolved microstructure during static recrystallization with the given recrystallization fraction determined already by the state variable model for AA7050 alloy. The spatial inhomogeneity of nucleation is obtained from the measurement of the actual second-phase particle distribution in the matrix identified using backscattered electron (BSE) imaging. The state variable model showed good fit with the experimental results, and the simulated microstructures were quantitatively comparable to the experimental results for the PSN recrystallized microstructure of 7050 aluminum alloy. It was also found that the volume fraction of recrystallization did not proceed as dictated by the Avrami equation in this alloy because of the presence of the growth inhibitors.

Experiment and simulation of the fabrication process of lithium-ion battery cathodes for determining microstructure and mechanical properties

NASA Astrophysics Data System (ADS)

Forouzan, Mehdi M.; Chao, Chien-Wei; Bustamante, Danilo; Mazzeo, Brian A.; Wheeler, Dean R.

2016-04-01

The fabrication process of Li-ion battery electrodes plays a prominent role in the microstructure and corresponding cell performance. Here, a mesoscale particle dynamics simulation is developed to relate the manufacturing process of a cathode containing Toda NCM-523 active material to physical and structural properties of the dried film. Particle interactions are simulated with shifted-force Lennard-Jones and granular Hertzian functions. LAMMPS, a freely available particle simulator, is used to generate particle trajectories and resulting predicted properties. To make simulations of the full film thickness feasible, the carbon binder domain (CBD) is approximated with μm-scale particles, each representing about 1000 carbon black particles and associated binder. Metrics for model parameterization and validation are measured experimentally and include the following: slurry viscosity, elasticity of the dried film, shrinkage ratio during drying, volume fraction of phases, slurry and dried film densities, and microstructure cross sections. Simulation results are in substantial agreement with experiment, showing that the simulations reasonably reproduce the relevant physics of particle arrangement during fabrication.

Microstructural Evolution and Mechanical Properties of Simulated Heat-Affected Zones in Cast Precipitation-Hardened Stainless Steels 17-4 and 13-8+Mo

NASA Astrophysics Data System (ADS)

Hamlin, Robert J.; DuPont, John N.

2017-01-01

Cast precipitation-hardened (PH) stainless steels 17-4 and 13-8+Mo are used in applications that require a combination of high strength and moderate corrosion resistance. Many such applications require fabrication and/or casting repair by fusion welding. The purpose of this work is to develop an understanding of microstructural evolution and resultant mechanical properties of these materials when subjected to weld thermal cycles. Samples of each material were subjected to heat-affected zone (HAZ) thermal cycles in the solution-treated and aged condition (S-A-W condition) and solution-treated condition with a postweld thermal cycle age (S-W-A condition). Dilatometry was used to establish the onset of various phase transformation temperatures. Light optical microscopy (LOM), scanning electron microscopy (SEM), and energy dispersive spectrometry (EDS) were used to characterize the microstructures, and comparisons were made to gas metal arc welds that were heat treated in the same conditions. Tensile testing was also performed. MatCalc thermodynamic and kinetic modeling software was used to predict the evolution of copper (Cu)-rich body center cubic precipitates in 17-4 and β-NiAl precipitates in 13-8+Mo. The yield strength was lower in the simulated HAZ samples of both materials prepared in the S-A-W condition when compared to their respective base metals. Samples prepared in the S-W-A condition had higher and more uniform yield strengths for both materials. Significant changes were observed in the matrix microstructure of various HAZ regions depending on the peak temperature, and these microstructural changes were interpreted with the aid of dilatometry results, LOM, SEM, and EDS. Despite these significant changes to the matrix microstructure, the changes in mechanical properties appear to be governed primarily by the precipitation behavior. The decrease in strength in the HAZ samples prepared in the S-A-W condition was attributed to the dissolution of precipitates, which was supported by the MatCalc modeling results. MatCalc modeling results for samples in the S-W-A condition predicted uniform size of precipitates across all regions of the HAZ, and these predictions were supported by the observed trends in mechanical properties. Cross-weld tensile tests performed on GMA welds showed the same trends in mechanical behavior as the simulated HAZ samples. Welding in the S-W-A condition resulted in over 90 pct retention in yield strength when compared to base metal strengths. These findings indicate that welding these PH stainless steels in the solution-treated condition and using a postweld age will provide better and more uniform mechanical properties in the HAZ that are more consistent with the base metal properties.

Quasi-coarse-grained dynamics: modelling of metallic materials at mesoscales

NASA Astrophysics Data System (ADS)

Dongare, Avinash M.

2014-12-01

A computationally efficient modelling method called quasi-coarse-grained dynamics (QCGD) is developed to expand the capabilities of molecular dynamics (MD) simulations to model behaviour of metallic materials at the mesoscales. This mesoscale method is based on solving the equations of motion for a chosen set of representative atoms from an atomistic microstructure and using scaling relationships for the atomic-scale interatomic potentials in MD simulations to define the interactions between representative atoms. The scaling relationships retain the atomic-scale degrees of freedom and therefore energetics of the representative atoms as would be predicted in MD simulations. The total energetics of the system is retained by scaling the energetics and the atomic-scale degrees of freedom of these representative atoms to account for the missing atoms in the microstructure. This scaling of the energetics renders improved time steps for the QCGD simulations. The success of the QCGD method is demonstrated by the prediction of the structural energetics, high-temperature thermodynamics, deformation behaviour of interfaces, phase transformation behaviour, plastic deformation behaviour, heat generation during plastic deformation, as well as the wave propagation behaviour, as would be predicted using MD simulations for a reduced number of representative atoms. The reduced number of atoms and the improved time steps enables the modelling of metallic materials at the mesoscale in extreme environments.

An evaluation of a coupled microstructural approach for the analysis of functionally graded composites via the finite-element method

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Dunn, Patrick

1995-01-01

A comparison is presented between the predictions of the finite-element analysis and a recently developed higher-order theory for functionally graded materials subjected to a thorough-thickness temperature gradient. In contrast to existing micromechanical theories that utilize classical (i.e., uncoupled) homogenization schemes to calculate micro-level and macro-level stress and displacement fields in materials with uniform or nonuniform fiber spacing (i.e., functionally graded materials), the new theory explicitly couples the microstructural details with the macrostructure of the composite. Previous thermo-elastic analysis has demonstrated that such coupling is necessary when: the temperature gradient is large with respect to the dimension of the reinforcement; the characteristic dimension of the reinforcement is large relative to the global dimensions of the composite and the number of reinforcing fibers or inclusions is small. In these circumstances, the standard micromechanical analyses based on the concept of the representative volume element used to determine average composite properties produce questionable results. The comparison between the predictions of the finite-element method and the higher-order theory presented herein establish the theory's accuracy in predicting thermal and stress fields within composites with a finite number of fibers in the thickness direction subjected to a thorough-thickness thermal gradient.

Constitutive Model for Hot Deformation of the Cu-Zr-Ce Alloy

NASA Astrophysics Data System (ADS)

Zhang, Yi; Sun, Huili; Volinsky, Alex A.; Wang, Bingjie; Tian, Baohong; Liu, Yong; Song, Kexing

2018-02-01

Hot compressive deformation behavior of the Cu-Zr-Ce alloy has been investigated according to the hot deformation tests in the 550-900 °C temperature range and 0.001-10 s-1 strain rate range. Based on the true stress-true strain curves, the flow stress behavior of the Cu-Zr-Ce alloy was investigated. Microstructure evolution was observed by optical microscopy. Based on the experimental results, a constitutive equation, which reflects the relationships between the stress, strain, strain rate and temperature, has been established. Material constants n, α, Q and ln A were calculated as functions of strain. The equation predicting the flow stress combined with these materials constants has been proposed. The predicted stress is consistent with experimental stress, indicating that developed constitutive equation can adequately predict the flow stress of the Cu-Zr-Ce alloy. Dynamic recrystallization critical strain was determined using the work hardening rate method. According to the dynamic material model, the processing maps for the Cu-Zr and Cu-Zr-Ce alloy were obtained at 0.4 and 0.5 strain. Based on the processing maps and microstructure observations, the optimal processing parameters for the two alloys were determined, and it was found that the addition of Ce can promote the hot workability of the Cu-Zr alloy.

Effects of microstructural inclusions on fatigue life of polyether ether ketone (PEEK).

PubMed

Simsiriwong, Jutima; Shrestha, Rakish; Shamsaei, Nima; Lugo, Marcos; Moser, Robert D

2015-11-01

In this study, the effects of microstructural inclusions on fatigue life of polyether ether ketone (PEEK) was investigated. Due to the versatility of its material properties, the semi-crystralline PEEK polymer has been increasingly adopted in a wide range of applications particularly as a biomaterial for orthopedic, trauma, and spinal implants. To obtain the cyclic behavior of PEEK, uniaxial fully-reversed strain-controlled fatigue tests were conducted at ambient temperature and at 0.02 mm/mm to 0.04 mm/mm strain amplitudes. The microstructure of PEEK was obtained using the optical and the scanning electron microscope (SEM) to determine the microstructural inclusion properties in PEEK specimen such as inclusion size, type, and nearest neighbor distance. SEM analysis was also conducted on the fracture surface of fatigue specimens to observe microstructural inclusions that served as the crack incubation sites. Based on the experimental strain-life results and the observed microstructure of fatigue specimens, a microstructure-sensitive fatigue model was used to predict the fatigue life of PEEK that includes both crack incubation and small crack growth regimes. Results show that the employed model is applicable to capture microstructural effects on fatigue behavior of PEEK. Copyright © 2015 Elsevier Ltd. All rights reserved.

Cantilevered multilevel LIGA devices and methods

DOEpatents

Morales, Alfredo Martin; Domeier, Linda A.

2002-01-01

In the formation of multilevel LIGA microstructures, a preformed sheet of photoresist material, such as polymethylmethacrylate (PMMA) is patterned by exposure through a mask to radiation, such as X-rays, and developed using a developer to remove the exposed photoresist material. A first microstructure is then formed by electroplating metal into the areas from which the photoresist has been removed. Additional levels of microstructure are added to the initial microstructure by covering the first microstructure with a conductive polymer, machining the conductive polymer layer to reveal the surface of the first microstructure, sealing the conductive polymer and surface of the first microstructure with a metal layer, and then forming the second level of structure on top of the first level structure. In such a manner, multiple layers of microstructure can be built up to allow complex cantilevered microstructures to be formed.

White Matter Microstructure Predicts Autistic Traits in Attention-Deficit/Hyperactivity Disorder

ERIC Educational Resources Information Center

Cooper, Miriam; Thapar, Anita; Jones, Derek K.

2014-01-01

Traits of autism spectrum disorder (ASD) in children with attention-deficit/hyperactivity disorder (ADHD) have previously been found to index clinical severity. This study examined the association of ASD traits with diffusion parameters in adolescent males with ADHD (n = 17), and also compared WM microstructure relative to controls (n = 17).…

Probing heat transfer, fluid flow and microstructural evolution during fusion welding of alloys

NASA Astrophysics Data System (ADS)

Zhang, Wei

The composition, geometry, structure and properties of the welded joints are affected by the various physical processes that take place during fusion welding. Understanding these processes has been an important goal in the contemporary welding research to achieve structurally sound and reliable welds. In the present thesis research, several important physical processes including the heat transfer, fluid flow and microstructural evolution in fusion welding were modeled based on the fundamentals of transport phenomena and phase transformation theory. The heat transfer and fluid flow calculation is focused on the predictions of the liquid metal convection in the weld pool, the temperature distribution in the entire weldment, and the shape and size of the fusion zone (FZ) and heat affected zone (HAZ). The modeling of microstructural evolution is focused on the quantitative understanding of phase transformation kinetics during welding of several important alloys under both low and high heating and cooling conditions. Three numerical models were developed in the present thesis work: (1) a three-dimensional heat transfer and free surface flow model for the gas metal arc (GMA) fillet welding considering the complex weld joint geometry, (2) a phase transformation model based on the Johnson-Mehl-Avrami (JMA) theory, and (3) a one-dimensional numerical diffusion model considering multiple moving interfaces. To check the capabilities of the developed models, several cases were investigated, in which the predictions from the models were compared with the experimental results. The cases studied are the follows. For the modeling of heat transfer and fluid flow, the welding processes studied included gas tungsten arc (GTA) linear welding, GTA transient spot welding, and GMA fillet welding. The calculated weldment geometry and thermal cycles was validated against the experimental data under various welding conditions. For the modeling of microstructural evolution, the welded materials investigated included AISI 1005 low-carbon steel, 1045 medium-carbon steel, 2205 duplex stainless steel (DSS) and Ti-6Al-4V alloy. The calculated phase transformation kinetics were compared with the experimental results obtained using an x-ray diffraction technique by Dr. John W. Elmer of Lawrence Livermore National Laboratory. (Abstract shortened by UMI.)

Nondestructive ultrasonic characterization of armor grade silicon carbide

NASA Astrophysics Data System (ADS)

Portune, Andrew Richard

Ceramic materials have traditionally been chosen for armor applications for their superior mechanical properties and low densities. At high strain rates seen during ballistic events, the behavior of these materials relies upon the total volumetric flaw concentration more so than any single anomalous flaw. In this context flaws can be defined as any microstructural feature which detriments the performance of the material, potentially including secondary phases, pores, or unreacted sintering additives. Predicting the performance of armor grade ceramic materials depends on knowledge of the absolute and relative concentration and size distribution of bulk heterogeneities. Ultrasound was chosen as a nondestructive technique for characterizing the microstructure of dense silicon carbide ceramics. Acoustic waves interact elastically with grains and inclusions in large sample volumes, and were well suited to determine concentration and size distribution variations for solid inclusions. Methodology was developed for rapid acquisition and analysis of attenuation coefficient spectra. Measurements were conducted at individual points and over large sample areas using a novel technique entitled scanning acoustic spectroscopy. Loss spectra were split into absorption and scattering dominant frequency regimes to simplify analysis. The primary absorption mechanism in polycrystalline silicon carbide was identified as thermoelastic in nature. Correlations between microstructural conditions and parameters within the absorption equation were established through study of commercial and custom engineered SiC materials. Nonlinear least squares regression analysis was used to estimate the size distributions of boron carbide and carbon inclusions within commercial SiC materials. This technique was shown to additionally be capable of approximating grain size distributions in engineered SiC materials which did not contain solid inclusions. Comparisons to results from electron microscopy exhibited favorable agreement between predicted and observed distributions. Developed techniques were applied to large sample areas using scanning acoustic spectroscopy to map variations in the size distribution and concentration of grains and solid inclusions within the bulk microstructure. The experiments performed in this thesis form the foundation of a novel characterization technique capable of mapping variations in sample composition which could be extended to a wide range of dense polycrystalline heterogeneous materials.

DISFRAC Version 2.0 Users Guide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cochran, Kristine B; Erickson, Marjorie A; Williams, Paul T

2013-01-01

DISFRAC is the implementation of a theoretical, multi-scale model for the prediction of fracture toughness in the ductile-to-brittle transition temperature (DBTT) region of ferritic steels. Empirically-derived models of the DBTT region cannot legitimately be extrapolated beyond the range of existing fracture toughness data. DISFRAC requires only tensile properties and microstructural information as input, and thus allows for a wider range of application than empirical, toughness data dependent models. DISFRAC is also a framework for investigating the roles of various microstructural and macroscopic effects on fracture behavior, including carbide particle sizes, grain sizes, strain rates, and material condition. DISFRAC s novelmore » approach is to assess the interaction effects of macroscopic conditions (geometry, loading conditions) with variable microstructural features on cleavage crack initiation and propagation. The model addresses all stages of the fracture process, from microcrack initiation within a carbide particle, to propagation of that crack through grains and across grain boundaries, finally to catastrophic failure of the material. The DISFRAC procedure repeatedly performs a deterministic analysis of microcrack initiation and propagation within a macroscopic crack plastic zone to calculate a critical fracture toughness value for each microstructural geometry set. The current version of DISFRAC, version 2.0, is a research code for developing and testing models related to cleavage fracture and transition toughness. The various models and computations have evolved significantly over the course of development and are expected to continue to evolve as testing and data collection continue. This document serves as a guide to the usage and theoretical foundations of DISFRAC v2.0. Feedback is welcomed and encouraged.« less

Phase Stability of a Powder Metallurgy Disk Superalloy

NASA Technical Reports Server (NTRS)

Gabb, Timothy P.; Gayda, John; Kantzos, P.; Telesman, Jack; Gang, Anita

2006-01-01

Advanced powder metallurgy superalloy disks in aerospace turbine engines now entering service can be exposed to temperatures approaching 700 C, higher than those previously encountered. They also have higher levels of refractory elements, which can increase mechanical properties at these temperatures but can also encourage phase instabilities during service. Microstructural changes including precipitation of topological close pack phase precipitation and coarsening of existing gamma' precipitates can be slow at these temperatures, yet potentially significant for anticipated disk service times exceeding 1,000 h. The ability to quantify and predict such potential phase instabilities and degradation of capabilities is needed to insure structural integrity and air worthiness of propulsion systems over the full life cycle. A prototypical advanced disk superalloy was subjected to high temperature exposures, and then evaluated. Microstructural changes and corresponding changes in mechanical properties were quantified. The results will be compared to predictions of microstructure modeling software.

Modeling of Casting Defects in an Integrated Computational Materials Engineering Approach

NASA Astrophysics Data System (ADS)

Sabau, Adrian S.

To accelerate the introduction of new cast alloys the modeling and simulation of multiphysical phenomena needs to be considered in the design and optimization of mechanical properties of cast components. The required models related to casting defects, such as microporosity and hot tears are reviewed. Three aluminum alloys are considered A356, 356 and 319. The data on calculated solidification shrinkage is presented and its effects on microporosity levels discussed. Examples are given for predicting microporosity defects and microstructure distribution for a plate casting. Models to predict fatigue life and yield stress are briefly highlighted here for the sake of completion and to illustrate how the length scales of the microstructure features as well as porosity defects are taken into account for modeling the mechanical properties. The data on casting defects including microstructure features, is crucial for evaluating the final performance-related properties of the component.

Simulation for Carbon Nanotube Dispersion and Microstructure Formation in CNTs/AZ91D Composite Fabricated by Ultrasonic Processing

NASA Astrophysics Data System (ADS)

Yang, Yuansheng; Zhao, Fuze; Feng, Xiaohui

2017-10-01

The dispersion of carbon nanotubes (CNTs) in AZ91D melt by ultrasonic processing and microstructure formation of CNTs/AZ91D composite were studied using numerical and physical simulations. The sound field and acoustic streaming were predicted using finite element method. Meanwhile, optimal immersion depth of the ultrasonic probe and suitable ultrasonic power were obtained. Single-bubble model was used to predict ultrasonic cavitation in AZ91D melt. The relationship between sound pressure amplitude and ultrasonic cavitation was established. Physical simulations of acoustic streaming and ultrasonic cavitation agreed well with the numerical simulations. It was confirmed that the dispersion of carbon nanotubes was remarkably improved by ultrasonic processing. Microstructure formation of CNTs/AZ91D composite was numerically simulated using cellular automation method. In addition, grain refinement was achieved and the growth of dendrites was changed due to the uniform dispersion of CNTs.

Predicting the constitutive behavior of semi-solids via a direct finite element simulation: application to AA5182

NASA Astrophysics Data System (ADS)

Phillion, A. B.; Cockcroft, S. L.; Lee, P. D.

2009-07-01

The methodology of direct finite element (FE) simulation was used to predict the semi-solid constitutive behavior of an industrially important aluminum-magnesium alloy, AA5182. Model microstructures were generated that detail key features of the as-cast semi-solid: equiaxed-globular grains of random size and shape, interconnected liquid films, and pores at the triple-junctions. Based on the results of over fifty different simulations, a model-based constitutive relationship which includes the effects of the key microstructure features—fraction solid, grain size and fraction porosity—was derived using regression analysis. This novel constitutive equation was then validated via comparison with both the FE simulations and experimental stress/strain data. Such an equation can now be used to incorporate the effects of microstructure on the bulk semi-solid flow stress within a macro- scale process model.

Experimental and Numerical Analysis of Microstructures and Stress States of Shot-Peened GH4169 Superalloys

NASA Astrophysics Data System (ADS)

Hu, Dianyin; Gao, Ye; Meng, Fanchao; Song, Jun; Wang, Rongqiao

2018-04-01

Combining experiments and finite element analysis (FEA), a systematic study was performed to analyze the microstructural evolution and stress states of shot-peened GH4169 superalloy over a variety of peening intensities and coverages. A dislocation density evolution model was integrated into the representative volume FEA model to quantitatively predict microstructural evolution in the surface layers and compared with experimental results. It was found that surface roughness and through-depth residual stress profile are more sensitive to shot-peening intensity compared to coverage due to the high kinetic energy involved. Moreover, a surface nanocrystallization layer was discovered in the top surface region of GH4169 for all shot-peening conditions. However, the grain refinement was more intensified under high shot-peening coverage, under which enough time was permitted for grain refinement. The grain size gradient predicted by the numerical framework showed good agreement with experimental observations.

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

NASA Technical Reports Server (NTRS)

Hochhalter, J. D.; Veilleux, M. G.; Bozek, J. E.; Glaessgen, E. H.; Ingraffea, A. R.

2008-01-01

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.

A creep cavity growth model for creep-fatigue life prediction of a unidirectional W/Cu composite

NASA Astrophysics Data System (ADS)

Kim, Young-Suk; Verrilli, Michael J.; Halford, Gary R.

1992-05-01

A microstructural model was developed to predict creep-fatigue life in a (0)(sub 4), 9 volume percent tungsten fiber-reinforced copper matrix composite at the temperature of 833 K. The mechanism of failure of the composite is assumed to be governed by the growth of quasi-equilibrium cavities in the copper matrix of the composite, based on the microscopically observed failure mechanisms. The methodology uses a cavity growth model developed for prediction of creep fracture. Instantaneous values of strain rate and stress in the copper matrix during fatigue cycles were calculated and incorporated in the model to predict cyclic life. The stress in the copper matrix was determined by use of a simple two-bar model for the fiber and matrix during cyclic loading. The model successfully predicted the composite creep-fatigue life under tension-tension cyclic loading through the use of this instantaneous matrix stress level. Inclusion of additional mechanisms such as cavity nucleation, grain boundary sliding, and the effect of fibers on matrix-stress level would result in more generalized predictions of creep-fatigue life.

A creep cavity growth model for creep-fatigue life prediction of a unidirectional W/Cu composite

NASA Technical Reports Server (NTRS)

Kim, Young-Suk; Verrilli, Michael J.; Halford, Gary R.

1992-01-01

A microstructural model was developed to predict creep-fatigue life in a (0)(sub 4), 9 volume percent tungsten fiber-reinforced copper matrix composite at the temperature of 833 K. The mechanism of failure of the composite is assumed to be governed by the growth of quasi-equilibrium cavities in the copper matrix of the composite, based on the microscopically observed failure mechanisms. The methodology uses a cavity growth model developed for prediction of creep fracture. Instantaneous values of strain rate and stress in the copper matrix during fatigue cycles were calculated and incorporated in the model to predict cyclic life. The stress in the copper matrix was determined by use of a simple two-bar model for the fiber and matrix during cyclic loading. The model successfully predicted the composite creep-fatigue life under tension-tension cyclic loading through the use of this instantaneous matrix stress level. Inclusion of additional mechanisms such as cavity nucleation, grain boundary sliding, and the effect of fibers on matrix-stress level would result in more generalized predictions of creep-fatigue life.

Process Integration and Optimization of ICME Carbon Fiber Composites for Vehicle Lightweighting: A Preliminary Development

DOE PAGES

Xu, Hongyi; Li, Yang; Zeng, Danielle

2017-01-02

Process integration and optimization is the key enabler of the Integrated Computational Materials Engineering (ICME) of carbon fiber composites. In this paper, automated workflows are developed for two types of composites: Sheet Molding Compounds (SMC) short fiber composites, and multi-layer unidirectional (UD) composites. For SMC, the proposed workflow integrates material processing simulation, microstructure representation volume element (RVE) models, material property prediction and structure preformation simulation to enable multiscale, multidisciplinary analysis and design. Processing parameters, microstructure parameters and vehicle subframe geometry parameters are defined as the design variables; the stiffness and weight of the structure are defined as the responses. Formore » multi-layer UD structure, this work focuses on the discussion of different design representation methods and their impacts on the optimization performance. Challenges in ICME process integration and optimization are also summarized and highlighted. Two case studies are conducted to demonstrate the integrated process and its application in optimization.« less

3D Microstructure Effects in Ni-YSZ Anodes: Prediction of Effective Transport Properties and Optimization of Redox Stability

PubMed Central

Pecho, Omar M.; Stenzel, Ole; Iwanschitz, Boris; Gasser, Philippe; Neumann, Matthias; Schmidt, Volker; Prestat, Michel; Hocker, Thomas; Flatt, Robert J.; Holzer, Lorenz

2015-01-01

This study investigates the influence of microstructure on the effective ionic and electrical conductivities of Ni-YSZ (yttria-stabilized zirconia) anodes. Fine, medium, and coarse microstructures are exposed to redox cycling at 950 °C. FIB (focused ion beam)-tomography and image analysis are used to quantify the effective (connected) volume fraction (Φeff), constriction factor (β), and tortuosity (τ). The effective conductivity (σeff) is described as the product of intrinsic conductivity (σ0) and the so-called microstructure-factor (M): σeff = σ0 × M. Two different methods are used to evaluate the M-factor: (1) by prediction using a recently established relationship, Mpred = εβ0.36/τ5.17, and (2) by numerical simulation that provides conductivity, from which the simulated M-factor can be deduced (Msim). Both methods give complementary and consistent information about the effective transport properties and the redox degradation mechanism. The initial microstructure has a strong influence on effective conductivities and their degradation. Finer anodes have higher initial conductivities but undergo more intensive Ni coarsening. Coarser anodes have a more stable Ni phase but exhibit lower YSZ stability due to lower sintering activity. Consequently, in order to improve redox stability, it is proposed to use mixtures of fine and coarse powders in different proportions for functional anode and current collector layers. PMID:28793523

Superposition rheology.

PubMed

Dhont, J K; Wagner, N J

2001-02-01

The interpretation of superposition rheology data is still a matter of debate due to lack of understanding of viscoelastic superposition response on a microscopic level. So far, only phenomenological approaches have been described, which do not capture the shear induced microstructural deformation, which is responsible for the viscoelastic behavior to the superimposed flow. Experimentally there are indications that there is a fundamental difference between the viscoelastic response to an orthogonally and a parallel superimposed shear flow. We present theoretical predictions, based on microscopic considerations, for both orthogonal and parallel viscoelastic response functions for a colloidal system of attractive particles near their gas-liquid critical point. These predictions extend to values of the stationary shear rate where the system is nonlinearly perturbed, and are based on considerations on the colloidal particle level. The difference in response to orthogonal and parallel superimposed shear flow can be understood entirely in terms of microstructural distortion, where the anisotropy of the microstructure under shear flow conditions is essential. In accordance with experimental observations we find pronounced negative values for response functions in case of parallel superposition for an intermediate range of frequencies, provided that microstructure is nonlinearly perturbed by the stationary shear component. For the critical colloidal systems considered here, the Kramers-Kronig relations for the superimposed response functions are found to be valid. It is argued, however, that the Kramers-Kronig relations may be violated for systems where the stationary shear flow induces a considerable amount of new microstructure.

Modeling crack propagation in polycrystalline microstructure using variational multiscale method

DOE PAGES

Sun, Shang; Sundararaghavan, Veera

2016-01-01

Crack propagation in a polycrystalline microstructure is analyzed using a novel multiscale model. The model includes an explicit microstructural representation at critical regions (stress concentrators such as notches and cracks) and a reduced order model that statistically captures the microstructure at regions far away from stress concentrations. Crack propagation is modeled in these critical regions using the variational multiscale method. In this approach, a discontinuous displacement field is added to elements that exceed the critical values of normal or tangential tractions during loading. Compared to traditional cohesive zone modeling approaches, the method does not require the use of any specialmore » interface elements in the microstructure and thus can model arbitrary crack paths. As a result, the capability of the method in predicting both intergranular and transgranular failure modes in an elastoplastic polycrystal is demonstrated under tensile and three-point bending loads.« less

Review of the Effects of Microstructure on Fatigue in Aluminum Alloys. Ph.D. Thesis - Cincinnati Univ.

NASA Technical Reports Server (NTRS)

Telesman, J.

1984-01-01

Literature survey was conducted to determine the effects of different microstructural features and different load histories on fatigue crack initiation and propagation of aluminum alloys. Comparison of microstructure and monotonic and cyclic properties between powder metallurgy (P/M) and ingot metallurgy (I/M) alloys is presented. The two alloys that are representative of each process on which the comparison is focused are X7091 and 7050. Included is a detailed description of the microstructure produced through the P/M and I/M proesses. The effect of each pertinent microstructural feature on monotonic and cyclic properties, such as yield strength, toughness, crack initiation and propagation is discussed. Also discussed are the proposed mechanisms for crack initiation and propagation, as well as the effects of aggressive environments on these cyclic properties. The effects of variable amplitude loadin on fatigue crack propagation and the various models proposed to predict load interaction effects are discussed.

Coating transformations in the early stages of hot-dip galvannealing of steel sheet

NASA Astrophysics Data System (ADS)

McDevitt, Erin Todd

The present, comprehensive study of the reactions occurring early in galvanneal processing under conditions typical of commercial production represents the first detailed investigation of the microstructural evolution of the coating in the early stages of galvannealing and the results shed new light on the course of the coating microstructural development. During hot dipping, an Fe2Al5 inhibition layer formed on the surface of the steel substrate in the first instants of immersion in Zn baths containing as low as 0.10 wt.% Al. When hot-dipping in a 0.14 wt.% Al, the as-dipped coating microstructure consisted of an Fe2Al 5 layer on the steel surface. That layer was covered by a layer of the Fe-Zn compound Gamma1, which was covered by the zeta phase or unalloyed Zn. Substrate chemistry did not affect coating microstructure development in the bath. Thermodynamic predictions of the precipitation behavior during the bath reactions agrees well with experimental observations. A mechanism for coating microstructure development in the Zn bath which is consistent with all the experimental results is proposed. From this information, the metallurgical variables which govern inhibition layer formation are discerned. The breakdown of the Fe2Al5 inhibition layer during galvannealing at 500°C occurred without the formation of outbursts. Instead, the grain boundary diffusion of Al into the steel substrate accounted for dissolution of the inhibition layer in the first second of galvannealing. A mechanism for inhibition layer breakdown is presented. P-additions affected only the rate at which the inhibition layer dissolved and did not affect the rate of Fe-Zn compound formation. P in the substrate blocked grain boundary diffusion of Al into the substrate thus slowing inhibition layer dissolution. The slower overall galvannealing behavior often observed on P-bearing substrates is due to a longer period of inhibition layer survival which results in a longer incubation period for the initiation of the formation of Fe-Zn compounds. The coating solidified after inhibition layer dissolution by the continuous formation of new delta grains from the liquid at the solidification front. The microstructural evolution of the entire coating, including the formation of Gamma and Gammal, during solidification is also presented.

A comprehensive study of layer-specific morphological changes in the microstructure of carotid arteries under uniaxial load.

PubMed

Krasny, Witold; Morin, Claire; Magoariec, Hélène; Avril, Stéphane

2017-07-15

The load bearing properties of large blood vessels are principally conferred by collagen and elastin networks and their microstructural organization plays an important role in the outcomes of various arterial pathologies. In particular, these fibrous networks are able to rearrange and reorient spatially during mechanical deformations. In this study, we investigate for the first time whether these well-known morphological rearrangements are the same across the whole thickness of blood vessels, and subsequently if the underlying mechanisms that govern these rearrangements can be predicted using affine kinematics. To this aim, we submitted rabbit carotid samples to uniaxial load in three distinct deformation directions, while recording live images of the 3D microstructure using multiphoton microscopy. Our results show that the observed realignment of collagen and elastin in the media layer, along with elastin of the adventitia layer, remained limited to small angles that can be predicted by affine kinematics. We show also that collagen bundles of fibers in the adventitia layer behaved in significantly different fashion. They showed a remarkable capacity to realign in the direction of the load, whatever the loading direction. Measured reorientation angles of the fibers were significantly higher than affine predictions. This remarkable property of collagen bundles in the adventitia was never observed before, it shows that the medium surrounding collagen in the adventitia undergoes complex deformations challenging traditional hyperelastic models based on mixture theories. The biomechanical properties of arteries are conferred by the rearrangement under load of the collagen and elastin fibers making up the arterial microstructure. Their kinematics under deformation is not yet characterized for all fiber networks. In this respect we have submitted samples of arterial tissue to uniaxial tension, simultaneously to confocal imaging of their microstructure. Our method allowed identifying for the first time the remarkable ability of adventitial collagen fibers to reorient in the direction of the load, achieving reorientation rotations that exceeded those predicted by affine kinematics, while all other networks followed the affine kinematics. Our results highlight new properties of the microstructure, which might play a role in the outcomes of vascular pathologies like aneurysms. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

High-Temperature Cast Aluminum for Efficient Engines

NASA Astrophysics Data System (ADS)

Bobel, Andrew C.

Accurate thermodynamic databases are the foundation of predictive microstructure and property models. An initial assessment of the commercially available Thermo-Calc TCAL2 database and the proprietary aluminum database of QuesTek demonstrated a large degree of deviation with respect to equilibrium precipitate phase prediction in the compositional region of interest when compared to 3-D atom probe tomography (3DAPT) and transmission electron microscopy (TEM) experimental results. New compositional measurements of the Q-phase (Al-Cu-Mg-Si phase) led to a remodeling of the Q-phase thermodynamic description in the CALPHAD databases which has produced significant improvements in the phase prediction capabilities of the thermodynamic model. Due to the unique morphologies of strengthening precipitate phases commonly utilized in high-strength cast aluminum alloys, the development of new microstructural evolution models to describe both rod and plate particle growth was critical for accurate mechanistic strength models which rely heavily on precipitate size and shape. Particle size measurements through both 3DAPT and TEM experiments were used in conjunction with literature results of many alloy compositions to develop a physical growth model for the independent prediction of rod radii and rod length evolution. In addition a machine learning (ML) model was developed for the independent prediction of plate thickness and plate diameter evolution as a function of alloy composition, aging temperature, and aging time. The developed models are then compared with physical growth laws developed for spheres and modified for ellipsoidal morphology effects. Analysis of the effect of particle morphology on strength enhancement has been undertaken by modification of the Orowan-Ashby equation for 〈110〉 alpha-Al oriented finite rods in addition to an appropriate version for similarly oriented plates. A mechanistic strengthening model was developed for cast aluminum alloys containing both rod and plate-like precipitates. The model accurately accounts for the temperature dependence of particle nucleation and growth, solid solution strengthening, Si eutectic strength, and base aluminum yield strength. Strengthening model predictions of tensile yield strength are in excellent agreement with experimental observations over a wide range of aluminum alloy systems, aging temperatures, and test conditions. The developed models enable the prediction of the required particle morphology and volume fraction necessary to achieve target property goals in the design of future aluminum alloys. The effect of partitioning elements to the Q-phase was also considered for the potential to control the nucleation rate, reduce coarsening, and control the evolution of particle morphology. Elements were selected based on density functional theory (DFT) calculations showing the prevalence of certain elements to partition to the Q-phase. 3DAPT experiments were performed on Q-phase containing wrought alloys with these additions and show segregation of certain elements to the Q-phase with relative agreement to DFT predictions.

Synthesis, Microstructure and Properties of Metallic Materials with Nanoscale Growth Twins

DTIC Science & Technology

2006-11-01

2004: Wu et al, 2005) and austenitic stainless steels (Zhang et al, 2004a; Zhang et al, 2005). However, processing routes to produce nanoscale...mechanical properties (hardness, yield strength, tensile strength) of bulk austenitic stainless steel (304, 310, 316 and 330) are quite similar and...model developed for the formation of growth twins in sputter- deposited austenitic stainless steel thin films (Zhang et al, 2004b). The model predicts

A study of microstructural characteristics and differential thermal analysis of Ni-based superalloys

NASA Technical Reports Server (NTRS)

Aggarwal, M. D.; Lal, R. B.; Oyekenu, Samuel A.; Parr, Richard; Gentz, Stephen

1989-01-01

The objective of this work is to correlate the mechanical properties of the Ni-based superalloy MAR M246(Hf) used in the Space Shuttle Main Engine with its structural characteristics by systematic study of optical photomicrographs and differential thermal analysis. The authors developed a method of predicting the liquidus and solidus temperature of various nickel based superalloys (MAR-M247, Waspaloy, Udimet-41, polycrystalline and single crystals of CMSX-2 and CMSX-3) and comparing the predictions with the experimental differential thermal analysis (DTA) curves using Perkin-Elmer DTA 1700. The method of predicting these temperatures is based on the additive effect of the components dissolved in nickel. The results were compared with the experimental values.

Modelling and simulation of the consolidation behavior during thermoplastic prepreg composites forming process

NASA Astrophysics Data System (ADS)

Xiong, H.; Hamila, N.; Boisse, P.

2017-10-01

Pre-impregnated thermoplastic composites have recently attached increasing interest in the automotive industry for their excellent mechanical properties and their rapid cycle manufacturing process, modelling and numerical simulations of forming processes for composites parts with complex geometry is necessary to predict and optimize manufacturing practices, especially for the consolidation effects. A viscoelastic relaxation model is proposed to characterize the consolidation behavior of thermoplastic prepregs based on compaction tests with a range of temperatures. The intimate contact model is employed to predict the evolution of the consolidation which permits the microstructure prediction of void presented through the prepreg. Within a hyperelastic framework, several simulation tests are launched by combining a new developed solid shell finite element and the consolidation models.

Artificial Microstructures to Investigate Microstructure-Property Relationships in Metallic Glasses

NASA Astrophysics Data System (ADS)

Sarac, Baran

Technology has evolved rapidly within the last decade, and the demand for higher performance materials has risen exponentially. To meet this demand, novel materials with advanced microstructures have been developed and are currently in use. However, the already complex microstructure of technological relevant materials imposes a limit for currently used development strategies for materials with optimized properties. For this reason, a strategy to correlate microstructure features with properties is still lacking. Computer simulations are challenged due to the computing size required to analyze multi-scale characteristics of complex materials, which is orders of magnitude higher than today's state of the art. To address these challenges, we introduced a novel strategy to investigate microstructure-property relationships. We call this strategy "artificial microstructure approach", which allows us to individually and independently control microstructural features. By this approach, we defined a new way of analyzing complex microstructures, where microstructural second phase features were precisely varied over a wide range. The artificial microstructures were fabricated by the combination of lithography and thermoplastic forming (TPF), and subsequently characterized under different loading conditions. Because of the suitability and interesting properties of metallic glasses, we proposed to use this toolbox to investigate the different deformation modes in cellular structures and toughening mechanism in metallic glass (MG) composites. This study helped us understand how to combine the unique properties of metallic glasses such as high strength, elasticity, and thermoplastic processing ability with plasticity generated from heterostructures of metallic glasses. It has been widely accepted that metallic glass composites are very complex, and a broad range of contributions have been suggested to explain the toughening mechanism. This includes the shear modulus, morphology, size, spacing, volume fraction of the second phase, and strength and toughness of the interface. Previous studies suggest these contributions, however, do not provide quantitative experimental evidence. Within this thesis, we paid tribute to the complexity of the toughening mechanism by revealing the correlation between plastic zone size (Rp) and second phase spacing (s ), and the results guided us how to design elasticity through the second phase morphology (AB pore stacking) in MG heterostructures. The second phase elasticity and shear modulus were also found to be contributing to the overall elasticity. We identified the pores' ratio of diameter to spacing (d/s) as one of the major factors controlling the mechanical properties of MG hetero structures, which is most efficient when d/s ≈ 1. Effectiveness of MG heterostructures also depends on the size of the sample, w, in comparison to s. Our experimental findings illuminate the complexity in MG composites, which can be resolved with our artificial microstructure approach. Another subject where we use artificial microstructures is to identify the effect of length scales on structural properties of MG heterostructures. MG structures can be fabricated over 7 orders of magnitude length scale (nm to cm), where the effect of the feature size determines whether the deformation will be homogenous throughout the sample, it will be localized into shear bands, or it will not show any shear bands (no plasticity) during bending and tension. We investigated the deformation modes of Zr-based MGs in hexagonal cellular structures controlled by the relative density, and revealed three distinctive deformation regions: collective buckling, local failure, and global failure which originate from size effects in metallic glasses. The relative density of ˜25.0% was determined as the ideal relative density for energy absorption, strength and plasticity in MG cellular structures. Besides two specific examples studied in detail here, the artificial microstructure concept can be applied to a wide range of problems in microstructures and micro structural architectures of porous and natural materials. Furthermore, it can be used to determine the flaw tolerance, and to investigate the sensitivity of microstructures to imperfections. For example, a mechanistic understanding of shear localization would help address the major shortcoming of metallic glasses and enable predictive models to be developed which would permit one to intelligently design microstructures to exhibit desirable properties.

Individual differences in white matter microstructure predict semantic control.

PubMed

Nugiel, Tehila; Alm, Kylie H; Olson, Ingrid R

2016-12-01

In everyday conversation, we make many rapid choices between competing concepts and words in order to convey our intent. This process is termed semantic control, and it is thought to rely on information transmission between a distributed semantic store in the temporal lobes and a more discrete region, optimized for retrieval and selection, in the left inferior frontal gyrus. Here, we used diffusion tensor imaging in a group of neurologically normal young adults to investigate the relationship between semantic control and white matter tracts that have been implicated in semantic memory retrieval. Participants completed a verb generation task that taps semantic control (Snyder & Munakata, 2008; Snyder et al., 2010) and underwent a diffusion imaging scan. Deterministic tractography was performed to compute indices representing the microstructural properties of the inferior fronto-occipital fasciculus (IFOF), the uncinate fasciculus (UF), and the inferior longitudinal fasciculus (ILF). Microstructural measures of the UF failed to predict semantic control performance. However, there was a significant relationship between microstructure of the left IFOF and ILF and individual differences in semantic control. Our findings support the view put forth by Duffau (2013) that the IFOF is a key structural pathway in semantic retrieval.

Mapping axonal density and average diameter using non-monotonic time-dependent gradient-echo MRI

NASA Astrophysics Data System (ADS)

Nunes, Daniel; Cruz, Tomás L.; Jespersen, Sune N.; Shemesh, Noam

2017-04-01

White Matter (WM) microstructures, such as axonal density and average diameter, are crucial to the normal function of the Central Nervous System (CNS) as they are closely related with axonal conduction velocities. Conversely, disruptions of these microstructural features may result in severe neurological deficits, suggesting that their noninvasive mapping could be an important step towards diagnosing and following pathophysiology. Whereas diffusion based MRI methods have been proposed to map these features, they typically entail the application of powerful gradients, which are rarely available in the clinic, or extremely long acquisition schemes to extract information from parameter-intensive models. In this study, we suggest that simple and time-efficient multi-gradient-echo (MGE) MRI can be used to extract the axon density from susceptibility-driven non-monotonic decay in the time-dependent signal. We show, both theoretically and with simulations, that a non-monotonic signal decay will occur for multi-compartmental microstructures - such as axons and extra-axonal spaces, which were here used as a simple model for the microstructure - and that, for axons parallel to the main magnetic field, the axonal density can be extracted. We then experimentally demonstrate in ex-vivo rat spinal cords that its different tracts - characterized by different microstructures - can be clearly contrasted using the MGE-derived maps. When the quantitative results are compared against ground-truth histology, they reflect the axonal fraction (though with a bias, as evident from Bland-Altman analysis). As well, the extra-axonal fraction can be estimated. The results suggest that our model is oversimplified, yet at the same time evidencing a potential and usefulness of the approach to map underlying microstructures using a simple and time-efficient MRI sequence. We further show that a simple general-linear-model can predict the average axonal diameters from the four model parameters, and map these average axonal diameters in the spinal cords. While clearly further modelling and theoretical developments are necessary, we conclude that salient WM microstructural features can be extracted from simple, SNR-efficient multi-gradient echo MRI, and that this paves the way towards easier estimation of WM microstructure in vivo.

Mapping axonal density and average diameter using non-monotonic time-dependent gradient-echo MRI.

PubMed

Nunes, Daniel; Cruz, Tomás L; Jespersen, Sune N; Shemesh, Noam

2017-04-01

White Matter (WM) microstructures, such as axonal density and average diameter, are crucial to the normal function of the Central Nervous System (CNS) as they are closely related with axonal conduction velocities. Conversely, disruptions of these microstructural features may result in severe neurological deficits, suggesting that their noninvasive mapping could be an important step towards diagnosing and following pathophysiology. Whereas diffusion based MRI methods have been proposed to map these features, they typically entail the application of powerful gradients, which are rarely available in the clinic, or extremely long acquisition schemes to extract information from parameter-intensive models. In this study, we suggest that simple and time-efficient multi-gradient-echo (MGE) MRI can be used to extract the axon density from susceptibility-driven non-monotonic decay in the time-dependent signal. We show, both theoretically and with simulations, that a non-monotonic signal decay will occur for multi-compartmental microstructures - such as axons and extra-axonal spaces, which were here used as a simple model for the microstructure - and that, for axons parallel to the main magnetic field, the axonal density can be extracted. We then experimentally demonstrate in ex-vivo rat spinal cords that its different tracts - characterized by different microstructures - can be clearly contrasted using the MGE-derived maps. When the quantitative results are compared against ground-truth histology, they reflect the axonal fraction (though with a bias, as evident from Bland-Altman analysis). As well, the extra-axonal fraction can be estimated. The results suggest that our model is oversimplified, yet at the same time evidencing a potential and usefulness of the approach to map underlying microstructures using a simple and time-efficient MRI sequence. We further show that a simple general-linear-model can predict the average axonal diameters from the four model parameters, and map these average axonal diameters in the spinal cords. While clearly further modelling and theoretical developments are necessary, we conclude that salient WM microstructural features can be extracted from simple, SNR-efficient multi-gradient echo MRI, and that this paves the way towards easier estimation of WM microstructure in vivo. Copyright © 2017 Elsevier Inc. All rights reserved.

New insights into microstructural evolution of epitaxial Ni-Mn-Ga films on MgO (1 0 0) substrate by high-resolution X-ray diffraction and orientation imaging investigations

NASA Astrophysics Data System (ADS)

Sharma, Amit; Mohan, Sangeneni; Suwas, Satyam

2018-04-01

In this work, a detailed investigation has been performed on hetero-epitaxial growth and microstructural evolution in highly oriented Ni-Mn-Ga (1 0 0) films grown on MgO (1 0 0) substrate using high-resolution X-ray diffraction and orientation imaging microscopy. Mosaicity of the films has been analysed in terms of tilt angle, twist angle, lateral and vertical coherence length and threading dislocation densities by performing rocking curve measurements and reciprocal space mapping. Density of edge dislocations is found to be an order of magnitude higher than the density of screw dislocations, irrespective of film thickness. X-ray pole figure measurements have revealed an orientation relationship of ? || (1 0 0)MgO; ? || [0 0 1]MgO between the film and substrate. Microstructure predicted by X-ray diffraction is in agreement with that obtained from electron microscopy and atomic force microscopy. The evolution of microstructure in the film with increasing thickness has been explained vis-à-vis dislocation generation and growth mechanisms. Orientation imaging microscopy observations indicate evolutionary growth of film by overgrowth mechanism. Decrease in coercivity with film thickness has been explained as an interplay between stress field developed due to crystal defects and magnetic domain pinning due to surface roughness.

Selective Growth of Low Stored Energy Grains During δ Sub-solvus Annealing in the Inconel 718 Nickel-Based Superalloy

NASA Astrophysics Data System (ADS)

Agnoli, Andrea; Bernacki, Marc; Logé, Roland; Franchet, Jean-Michel; Laigo, Johanne; Bozzolo, Nathalie

2015-09-01

The microstructure stability during δ sub-solvus annealing in Inconel 718 was investigated, focusing on the conditions that may lead to the development of very large grains (about 100 μm) in a recrystallized fine grained matrix (4 to 5 μm) despite the presence of second-phase particles. Microstructure evolution was analyzed by EBSD (grain size, intragranular misorientation) and SEM ( δ phase particles). Results confirm that, in the absence of stored energy, the grain structure is controlled by the δ phase particles, as predicted by the Smith-Zener equation. If the initial microstructure is strained ( ɛ < 0.1) before annealing, then low stored energy grains grow to a large extent, despite the Zener pinning forces exerted by the second-phase particles on the grain boundaries. Those selectively growing grains could be those of the initial microstructure that were the least deformed, or they could result from a nucleation process. The balance of three forces acting on boundary migration controls the growth process: if the sum of capillarity and stored energy driving forces exceeds the Zener pinning force, then selective grain growth occurs. Such phenomenon could be simulated, using a level set approach in a finite element context, by taking into account the three forces acting on boundary migration and by considering a realistic strain energy distribution (estimated from EBSD measurements).

The strength and dislocation microstructure evolution in superalloy microcrystals

NASA Astrophysics Data System (ADS)

Hussein, Ahmed M.; Rao, Satish I.; Uchic, Michael D.; Parthasarathay, Triplicane A.; El-Awady, Jaafar A.

2017-02-01

In this work, the evolution of the dislocations microstructure in single crystal two-phase superalloy microcrystals under monotonic loading has been studied using the three-dimensional discrete dislocation dynamics (DDD) method. The DDD framework has been extended to properly handle the collective behavior of dislocations and their interactions with large collections of arbitrary shaped precipitates. Few constraints are imposed on the initial distribution of the dislocations or the precipitates, and the extended DDD framework can support experimentally-obtained precipitate geometries. Full tracking of the creation and destruction of anti-phase boundaries (APB) is accounted for. The effects of the precipitate volume fraction, APB energy, precipitate size, and crystal size on the deformation of superalloy microcrystals have been quantified. Correlations between the precipitate microstructure and the dominant deformation features, such as dislocation looping versus precipitate shearing, are also discussed. It is shown that the mechanical strength is independent of the crystal size, increases linearly with increasing the volume fraction, follows a near square-root relationship with the APB energy and an inverse square-root relationship with the precipitate size. Finally, the flow strength in simulations having initial dislocation pair sources show a flow strength that is about one half of that predicted from simulations starting with single dislocation sources. The method developed can be used, with minimal extensions, to simulate dislocation microstructure evolution in general multiphase materials.

Comparisons of Fabric Strength and Development in Polycrystalline Ice at Atmospheric and Basal Hydrostatic Pressures

NASA Astrophysics Data System (ADS)

Breton, Daniel; Baker, Ian; Cole, David

2013-04-01

Understanding and predicting the flow of polycrystalline ice is crucial to ice sheet modeling and paleoclimate reconstruction from ice cores. Ice flow rates depend strongly on the fabric (i.e. the distribution of grain sizes and crystallographic orientations) which evolves over time and enhances the flow rate in the direction of applied stress. The mechanisms for fabric evolution in ice have been extensively studied at atmospheric pressures, but little work has been done to observe these processes at the high pressures experienced deep within ice sheets where long-term changes in ice rheology are expected to have significance. We conducted compressive creep tests to ~10% strain on 917 kg m-3, initially randomly-oriented polycrystalline ice specimens at 0.1 (atmospheric) and 20 MPa (simulating ~2,000 m depth) hydrostatic pressures, performing microstructural analyses on the resulting deformed specimens to characterize the evolution and strength of crystal fabric. Our microstructural analysis technique simultaneously collects grain shape and size data from Scanning Electron Microscope (SEM) micrographs and obtains crystallographic orientation data via Electron BackScatter Diffraction (EBSD). Combining these measurements allows rapid analysis of the ice fabric over large numbers of grains, yielding statistically useful numbers of grain size and orientation data. We present creep and microstructural data to demonstrate pressure-dependent effects on the mechanical and microstructural evolution of polycrystalline ice and discuss possible mechanisms for the observed differences.

Developing a novel hierarchical approach for multiscale structural reliability predictions for ultra-high consequence applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emery, John M.; Coffin, Peter; Robbins, Brian A.

Microstructural variabilities are among the predominant sources of uncertainty in structural performance and reliability. We seek to develop efficient algorithms for multiscale calcu- lations for polycrystalline alloys such as aluminum alloy 6061-T6 in environments where ductile fracture is the dominant failure mode. Our approach employs concurrent multiscale methods, but does not focus on their development. They are a necessary but not sufficient ingredient to multiscale reliability predictions. We have focused on how to efficiently use concurrent models for forward propagation because practical applications cannot include fine-scale details throughout the problem domain due to exorbitant computational demand. Our approach begins withmore » a low-fidelity prediction at the engineering scale that is sub- sequently refined with multiscale simulation. The results presented in this report focus on plasticity and damage at the meso-scale, efforts to expedite Monte Carlo simulation with mi- crostructural considerations, modeling aspects regarding geometric representation of grains and second-phase particles, and contrasting algorithms for scale coupling.« less

Crack initiation modeling of a directionally-solidified nickel-base superalloy

NASA Astrophysics Data System (ADS)

Gordon, Ali Page

Combustion gas turbine components designed for application in electric power generation equipment are subject to periodic replacement as a result of cracking, damage, and mechanical property degeneration that render them unsafe for continued operation. In view of the significant costs associated with inspecting, servicing, and replacing damaged components, there has been much interest in developing models that not only predict service life, but also estimate the evolved microstructural state of the material. This thesis explains manifestations of microstructural damage mechanisms that facilitate fatigue crack nucleation in a newly-developed directionally-solidified (DS) Ni-base superalloy components exposed to elevated temperatures and high stresses. In this study, models were developed and validated for damage and life prediction using DS GTD-111 as the subject material. This material, proprietary to General Electric Energy, has a chemical composition and grain structure designed to withstand creep damage occurring in the first and second stage blades of gas-powered turbines. The service conditions in these components, which generally exceed 600°C, facilitate the onset of one or more damage mechanisms related to fatigue, creep, or environment. The study was divided into an empirical phase, which consisted of experimentally simulating service conditions in fatigue specimens, and a modeling phase, which entailed numerically simulating the stress-strain response of the material. Experiments have been carried out to simulate a variety of thermal, mechanical, and environmental operating conditions endured by longitudinally (L) and transversely (T) oriented DS GTD-111. Both in-phase and out-of-phase thermo-mechanical fatigue tests were conducted. In some cases, tests in extreme environments/temperatures were needed to isolate one or at most two of the mechanisms causing damage. Microstructural examinations were carried out via SEM and optical microscopy. A continuum crystal plasticity model was used to simulate the material behavior in the L and T orientations. The constitutive model was implemented in ABAQUS and a parameter estimation scheme was developed to obtain the material constants. A physically-based model was developed for correlating crack initiation life based on the experimental life data and predictions are made using the crack initiation model. Assuming a unique relationship between the damage fraction and cycle fraction with respect to cycles to crack initiation for each damage mode, the total crack initiation life has been represented in terms of the individual damage components (fatigue, creep-fatigue, creep, and oxidation-fatigue) observed at the end state of crack initiation.

Mapping White Matter Microstructure in the One Month Human Brain.

PubMed

Dean, D C; Planalp, E M; Wooten, W; Adluru, N; Kecskemeti, S R; Frye, C; Schmidt, C K; Schmidt, N L; Styner, M A; Goldsmith, H H; Davidson, R J; Alexander, A L

2017-08-29

White matter microstructure, essential for efficient and coordinated transmission of neural communications, undergoes pronounced development during the first years of life, while deviations to this neurodevelopmental trajectory likely result in alterations of brain connectivity relevant to behavior. Hence, systematic evaluation of white matter microstructure in the normative brain is critical for a neuroscientific approach to both typical and atypical early behavioral development. However, few studies have examined the infant brain in detail, particularly in infants under 3 months of age. Here, we utilize quantitative techniques of diffusion tensor imaging and neurite orientation dispersion and density imaging to investigate neonatal white matter microstructure in 104 infants. An optimized multiple b-value diffusion protocol was developed to allow for successful acquisition during non-sedated sleep. Associations between white matter microstructure measures and gestation corrected age, regional asymmetries, infant sex, as well as newborn growth measures were assessed. Results highlight changes of white matter microstructure during the earliest periods of development and demonstrate differential timing of developing regions and regional asymmetries. Our results contribute to a growing body of research investigating the neurobiological changes associated with neurodevelopment and suggest that characteristics of white matter microstructure are already underway in the weeks immediately following birth.

Single-Track Melt-Pool Measurements and Microstructures in Inconel 625

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Ma, Li; Levine, Lyle E.; Ricker, Richard E.; Stoudt, Mark R.; Heigel, Jarred C.; Guyer, Jonathan E.

2018-06-01

We use single-track laser melting experiments and simulations on Inconel 625 to estimate the dimensions and microstructure of the resulting melt pool. Our work is based on a design-of-experiments approach which uses multiple laser power and scan speed combinations. Single-track experiments generated melt pools of certain dimensions that showed reasonable agreement with our finite-element calculations. Phase-field simulations were used to predict the size and segregation of the cellular microstructure that formed along the melt-pool boundaries for the solidification conditions that changed as a function of melt-pool dimensions.

Single-Track Melt-Pool Measurements and Microstructures in Inconel 625

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Ma, Li; Levine, Lyle E.; Ricker, Richard E.; Stoudt, Mark R.; Heigel, Jarred C.; Guyer, Jonathan E.

2018-02-01

We use single-track laser melting experiments and simulations on Inconel 625 to estimate the dimensions and microstructure of the resulting melt pool. Our work is based on a design-of-experiments approach which uses multiple laser power and scan speed combinations. Single-track experiments generated melt pools of certain dimensions that showed reasonable agreement with our finite-element calculations. Phase-field simulations were used to predict the size and segregation of the cellular microstructure that formed along the melt-pool boundaries for the solidification conditions that changed as a function of melt-pool dimensions.

Simulation and experimental comparison of the thermo-mechanical history and 3D microstructure evolution of 304L stainless steel tubes manufactured using LENS

NASA Astrophysics Data System (ADS)

Johnson, Kyle L.; Rodgers, Theron M.; Underwood, Olivia D.; Madison, Jonathan D.; Ford, Kurtis R.; Whetten, Shaun R.; Dagel, Daryl J.; Bishop, Joseph E.

2018-05-01

Additive manufacturing enables the production of previously unachievable designs in conjunction with time and cost savings. However, spatially and temporally fluctuating thermal histories can lead to residual stress states and microstructural variations that challenge conventional assumptions used to predict part performance. Numerical simulations offer a viable way to explore the root causes of these characteristics, and can provide insight into methods of controlling them. Here, the thermal history of a 304L stainless steel cylinder produced using the Laser Engineered Net Shape process is simulated using finite element analysis (FEA). The resultant thermal history is coupled to both a solid mechanics FEA simulation to predict residual stress and a kinetic Monte Carlo model to predict the three-dimensional grain structure evolution. Experimental EBSD measurements of grain structure and in-process infrared thermal data are compared to the predictions.

Simulation and experimental comparison of the thermo-mechanical history and 3D microstructure evolution of 304L stainless steel tubes manufactured using LENS

NASA Astrophysics Data System (ADS)

Johnson, Kyle L.; Rodgers, Theron M.; Underwood, Olivia D.; Madison, Jonathan D.; Ford, Kurtis R.; Whetten, Shaun R.; Dagel, Daryl J.; Bishop, Joseph E.

2017-12-01

Additive manufacturing enables the production of previously unachievable designs in conjunction with time and cost savings. However, spatially and temporally fluctuating thermal histories can lead to residual stress states and microstructural variations that challenge conventional assumptions used to predict part performance. Numerical simulations offer a viable way to explore the root causes of these characteristics, and can provide insight into methods of controlling them. Here, the thermal history of a 304L stainless steel cylinder produced using the Laser Engineered Net Shape process is simulated using finite element analysis (FEA). The resultant thermal history is coupled to both a solid mechanics FEA simulation to predict residual stress and a kinetic Monte Carlo model to predict the three-dimensional grain structure evolution. Experimental EBSD measurements of grain structure and in-process infrared thermal data are compared to the predictions.

A common microstructure in behavioral hearing thresholds and stimulus-frequency otoacoustic emissions.

PubMed

Dewey, James B; Dhar, Sumitrajit

2017-11-01

Behavioral hearing thresholds and otoacoustic emission (OAE) spectra often exhibit quasiperiodic fluctuations with frequency. For behavioral and OAE responses to single tones-the latter referred to as stimulus-frequency otoacoustic emissions (SFOAEs)-this microstructure has been attributed to intracochlear reflections of SFOAE energy between its region of generation and the middle ear boundary. However, the relationship between behavioral and SFOAE microstructures, as well as their presumed dependence on the properties of the SFOAE-generation mechanism, have yet to be adequately examined. To address this, behavioral thresholds and SFOAEs evoked by near-threshold tones were compared in 12 normal-hearing female subjects. The microstructures observed in thresholds and both SFOAE amplitudes and delays were found to be strikingly similar. SFOAE phase accumulated an integer number of cycles between the frequencies of microstructure maxima, consistent with a dependence of microstructure periodicity on SFOAE propagation delays. Additionally, microstructure depth was correlated with SFOAE magnitude in a manner resembling that predicted by the intracochlear reflection framework, after assuming reasonable values of parameters related to middle ear transmission. Further exploration of this framework may yield more precise estimates of such parameters and provide insight into their frequency dependence.

Homogenization kinetics of a nickel-based superalloy produced by powder bed fusion laser sintering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fan; Levine, Lyle E.; Allen, Andrew J.

2017-04-01

Additively manufactured (AM) metal components often exhibit fine dendritic microstructures and elemental segregation due to the initial rapid solidification and subsequent melting and cooling during the build process, which without homogenization would adversely affect materials performance. In this letter, we report in situ observation of the homogenization kinetics of an AM nickel-based superalloy using synchrotron small angle X-ray scattering. The identified kinetic time scale is in good agreement with thermodynamic diffusion simulation predictions using microstructural dimensions acquired by ex situ scanning electron microscopy. These findings could serve as a recipe for predicting, observing, and validating homogenization treatments in AM materials.

Homogenization Kinetics of a Nickel-based Superalloy Produced by Powder Bed Fusion Laser Sintering.

PubMed

Zhang, Fan; Levine, Lyle E; Allen, Andrew J; Campbell, Carelyn E; Lass, Eric A; Cheruvathur, Sudha; Stoudt, Mark R; Williams, Maureen E; Idell, Yaakov

2017-04-01

Additively manufactured (AM) metal components often exhibit fine dendritic microstructures and elemental segregation due to the initial rapid solidification and subsequent melting and cooling during the build process, which without homogenization would adversely affect materials performance. In this letter, we report in situ observation of the homogenization kinetics of an AM nickel-based superalloy using synchrotron small angle X-ray scattering. The identified kinetic time scale is in good agreement with thermodynamic diffusion simulation predictions using microstructural dimensions acquired by ex situ scanning electron microscopy. These findings could serve as a recipe for predicting, observing, and validating homogenization treatments in AM materials.

Microstructure Modeling of 3rd Generation Disk Alloy

NASA Technical Reports Server (NTRS)

Jou, Herng-Jeng

2008-01-01

The objective of this initiative, funded by NASA's Aviation Safety Program, is to model, validate, and predict, with high fidelity, the microstructural evolution of third-generation high-refractory Ni-based disc superalloys during heat treating and service conditions. This initiative is a natural extension of the DARPA-AIM (Accelerated Insertion of Materials) initiative with GE/Pratt-Whitney and with other process simulation tools. Strong collaboration with the NASA Glenn Research Center (GRC) is a key component of this initiative and the focus of this program is on industrially relevant disk alloys and heat treatment processes identified by GRC. Employing QuesTek s Computational Materials Dynamics technology and PrecipiCalc precipitation simulator, physics-based models are being used to achieve high predictive accuracy and precision. Combining these models with experimental data and probabilistic analysis, "virtual alloy design" can be performed. The predicted microstructures can be optimized to promote desirable features and concurrently eliminate nondesirable phases that can limit the reliability and durability of the alloys. The well-calibrated and well-integrated software tools that are being applied under the proposed program will help gas turbine disk alloy manufacturers, processing facilities, and NASA, to efficiently and effectively improve the performance of current and future disk materials.

Spatial variations in a.c. susceptibility and microstructure for the YBa2Cu3O(7-x) superconductor and their correlation with room-temperature ultrasonic measurements

NASA Technical Reports Server (NTRS)

Roth, Don J.; Hepp, Aloysius F.; Deguire, Mark R.; Dolhert, Leonard E.

1991-01-01

The spatial (within-sample) uniformity of superconducting behavior and microstructure in YBa2Cu30(7-x) specimens over the pore fraction range of 0.10 to 0.25 was examined. The viability of using a room-temperature, nondestructive characterization method (ultrasonic velocity imaging) to predict spatial variability was determined. Spatial variations in superconductor properties were observed for specimens containing 0.10 pore fraction. An ultrasonic velocity image constructed from measurements at 1 mm increments across one such specimen revealed microstructural variation between edge and center locations that correlated with variations in alternating-current shielding and loss behavior. Optical quantitative image analysis on sample cross-sections revealed pore fraction to be the varying microstructural feature.

Spatial variations in ac susceptibility and microstructure for the YBa2Cu3O(7-x) superconductor and their correlation with room-temperature ultrasonic measurements

NASA Technical Reports Server (NTRS)

Roth, Don J.; Deguire, Mark R.; Dolhert, Leonard E.; Hepp, Aloysius F.

1991-01-01

The spatial (within-sample) uniformity of superconducting behavior and microstructure in YBa2Cu3O(7-x) specimens over the pore fraction range of 0.10 to 0.25 was examined. The viability of using a room-temperature, nondestructive characterization method (ultrasonic velocity imaging) to predict spatial variability was determined. Spatial variations in superconductor properties were observed for specimens containing 0.10 pore fraction. An ultrasonic velocity image constructed from measurements at 1 mm increments across one such specimen revealed microstructural variation between edge and center locations that correlated with variations in alternating-current shielding and loss behavior. Optical quantitative image analysis on sample cross-sections revealed pore fraction to be the varying microstructural feature.

Long discontinuous fiber composite structure: Forming and structural mechanics

NASA Technical Reports Server (NTRS)

Pipes, R. B.; Santare, M. H.; Otoole, B. J.; Beaussart, A. J.; Deheer, D. C.; Okine, R. K.

1991-01-01

Cost effective composite structure has motivated the investigation of several new approaches to develop composite structure from innovative material forms. Among the promising new approaches is the conversion of planar sheet to components of complex curvature through sheet forming or stretch forming. In both cases, the potential for material stretch in the fiber direction appears to offer a clear advantage in formability over continuous fiber systems. In the present study, the authors have established a framework which allows the simulation of the anisotropic mechanisms of deformation of long discontinuous fiber laminates wherein the matrix phase is a viscous fluid. The initial study focuses upon the establishment of micromechanics models for prediction of the effective anisotropic viscosities of the oriented fiber assembly in a viscous matrix. Next, the developed constitutive relation is employed through an analogy with incompressible elasticity to exercise the finite element technique for determination of local fiber orientation and laminate thickness after forming. Results are presented for the stretch bending of a curved beam from an arbitrary composite laminate and the bulging of a clamped sheet. Structural analyses are conducted to determine the effect of microstructure on the performance of curved beams manufactured from long discontinuous fiber composites. For the purposes of this study, several curved beams with ideal and non-ideal microstructures are compared for response under pure bending. Material parameters are determined from a separate microstructural analysis.

Simulation of metal additive manufacturing microstructures using kinetic Monte Carlo

DOE PAGES

Rodgers, Theron M.; Madison, Jonathan D.; Tikare, Veena

2017-04-19

Additive manufacturing (AM) is of tremendous interest given its ability to realize complex, non-traditional geometries in engineered structural materials. But, microstructures generated from AM processes can be equally, if not more, complex than their conventionally processed counterparts. While some microstructural features observed in AM may also occur in more traditional solidification processes, the introduction of spatially and temporally mobile heat sources can result in significant microstructural heterogeneity. While grain size and shape in metal AM structures are understood to be highly dependent on both local and global temperature profiles, the exact form of this relation is not well understood. Wemore » implement an idealized molten zone and temperature-dependent grain boundary mobility in a kinetic Monte Carlo model to predict three-dimensional grain structure in additively manufactured metals. In order to demonstrate the flexibility of the model, synthetic microstructures are generated under conditions mimicking relatively diverse experimental results present in the literature. Simulated microstructures are then qualitatively and quantitatively compared to their experimental complements and are shown to be in good agreement.« less

Modulating laser intensity profile ellipticity for microstructural control during metal additive manufacturing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roehling, Tien T.; Wu, Sheldon S. Q.; Khairallah, Saad A.

Additively manufactured (AM) metals are often highly textured, containing large columnar grains that initiate epitaxially under steep temperature gradients and rapid solidification conditions. These unique microstructures partially account for the massive property disparity existing between AM and conventionally processed alloys. Although equiaxed grains are desirable for isotropic mechanical behavior, the columnar-to-equiaxed transition remains difficult to predict for conventional solidification processes, and much more so for AM. In this study, the effects of laser intensity profile ellipticity on melt track macrostructures and microstructures were studied in 316L stainless steel. Experimental results were supported by temperature gradients and melt velocities simulated usingmore » the ALE3D multi-physics code. As a general trend, columnar grains preferentially formed with increasing laser power and scan speed for all beam profiles. However, when conduction mode laser heating occurs, scan parameters that result in coarse columnar microstructures using Gaussian profiles produce equiaxed or mixed equiaxed-columnar microstructures using elliptical profiles. Furthermore, by modulating spatial laser intensity profiles on the fly, site-specific microstructures and properties can be directly engineered into additively manufactured parts.« less

Modulating laser intensity profile ellipticity for microstructural control during metal additive manufacturing

DOE PAGES

Roehling, Tien T.; Wu, Sheldon S. Q.; Khairallah, Saad A.; ...

2017-02-12

Additively manufactured (AM) metals are often highly textured, containing large columnar grains that initiate epitaxially under steep temperature gradients and rapid solidification conditions. These unique microstructures partially account for the massive property disparity existing between AM and conventionally processed alloys. Although equiaxed grains are desirable for isotropic mechanical behavior, the columnar-to-equiaxed transition remains difficult to predict for conventional solidification processes, and much more so for AM. In this study, the effects of laser intensity profile ellipticity on melt track macrostructures and microstructures were studied in 316L stainless steel. Experimental results were supported by temperature gradients and melt velocities simulated usingmore » the ALE3D multi-physics code. As a general trend, columnar grains preferentially formed with increasing laser power and scan speed for all beam profiles. However, when conduction mode laser heating occurs, scan parameters that result in coarse columnar microstructures using Gaussian profiles produce equiaxed or mixed equiaxed-columnar microstructures using elliptical profiles. Furthermore, by modulating spatial laser intensity profiles on the fly, site-specific microstructures and properties can be directly engineered into additively manufactured parts.« less

Ignition probability of polymer-bonded explosives accounting for multiple sources of material stochasticity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, S.; Barua, A.; Zhou, M., E-mail: min.zhou@me.gatech.edu

2014-05-07

Accounting for the combined effect of multiple sources of stochasticity in material attributes, we develop an approach that computationally predicts the probability of ignition of polymer-bonded explosives (PBXs) under impact loading. The probabilistic nature of the specific ignition processes is assumed to arise from two sources of stochasticity. The first source involves random variations in material microstructural morphology; the second source involves random fluctuations in grain-binder interfacial bonding strength. The effect of the first source of stochasticity is analyzed with multiple sets of statistically similar microstructures and constant interfacial bonding strength. Subsequently, each of the microstructures in the multiple setsmore » is assigned multiple instantiations of randomly varying grain-binder interfacial strengths to analyze the effect of the second source of stochasticity. Critical hotspot size-temperature states reaching the threshold for ignition are calculated through finite element simulations that explicitly account for microstructure and bulk and interfacial dissipation to quantify the time to criticality (t{sub c}) of individual samples, allowing the probability distribution of the time to criticality that results from each source of stochastic variation for a material to be analyzed. Two probability superposition models are considered to combine the effects of the multiple sources of stochasticity. The first is a parallel and series combination model, and the second is a nested probability function model. Results show that the nested Weibull distribution provides an accurate description of the combined ignition probability. The approach developed here represents a general framework for analyzing the stochasticity in the material behavior that arises out of multiple types of uncertainty associated with the structure, design, synthesis and processing of materials.« less

Modeling macro-and microstructures of Gas-Metal-Arc Welded HSLA-100 steel

NASA Astrophysics Data System (ADS)

Yang, Z.; Debroy, T.

1999-06-01

Fluid flow and heat transfer during gas-metal-arc welding (GMAW) of HSLA-100 steel were studied using a transient, three-dimensional, turbulent heat transfer and fluid flow model. The temperature and velocity fields, cooling rates, and shape and size of the fusion and heat-affected zones (HAZs) were calculated. A continuous-cooling-transformation (CCT) diagram was computed to aid in the understanding of the observed weld metal microstructure. The computed results demonstrate that the dissipation of heat and momentum in the weld pool is significantly aided by turbulence, thus suggesting that previous modeling results based on laminar flow need to be re-examined. A comparison of the calculated fusion and HAZ geometries with their corresponding measured values showed good agreement. Furthermore, “finger” penetration, a unique geometric characteristic of gas-metal-arc weld pools, could be satisfactorily predicted from the model. The ability to predict these geometric variables and the agreement between the calculated and the measured cooling rates indicate the appropriateness of using a turbulence model for accurate calculations. The microstructure of the weld metal consisted mainly of acicular ferrite with small amounts of bainite. At high heat inputs, small amounts of allotriomorphic and Widmanstätten ferrite were also observed. The observed microstructures are consistent with those expected from the computed CCT diagram and the cooling rates. The results presented here demonstrate significant promise for understanding both macro-and microstructures of steel welds from the combination of the fundamental principles from both transport phenomena and phase transformation theory.

Linking microstructural evolution and macro-scale friction behavior in metals [Predicting the friction behavior of metals using a microstructural evolution model

DOE PAGES

Argibay, N.; Chandross, M.; Cheng, S.; ...

2016-11-21

A correlation is established between the macro-scale friction regimes of metals and a transition between two dominant atomistic mechanisms of deformation. Metals tend to exhibit bi-stable friction behavior—low and converging or high and diverging. These general trends in behavior are shown to be largely explained using a simplified model based on grain size evolution, as a function of contact stress and temperature, and are demonstrated for self-mated pure copper and gold sliding contacts. Specifically, the low-friction regime (where µ < 0.5) is linked to the formation of ultra-nanocrystalline surface films (10–20 nm), driving toward shear accommodation by grain boundary sliding.more » Above a critical combination of stress and temperature—demonstrated to be a material property—shear accommodation transitions to dislocation dominated plasticity and high friction, with µ > 0.5. We utilize a combination of experimental and computational methods to develop and validate the proposed structure–property relationship. As a result, this quantitative framework provides a shift from phenomenological to mechanistic and predictive fundamental understanding of friction for crystalline materials, including engineering alloys.« less

MaRIE first experiments summaries version: May 9, 2010

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarrao, John L

2010-01-01

A predictive understanding of microstructure-based heterogeneity and its consequences for materials damage & failure and phase transformation initiation is presently lacking. Most metallic materials used in applications are polycrystalline aggregates - individual single crystals separated by grain boundaries. Most of these materials are either metallic alloys or contain impurities. In either case, there is spatial variability in their chemical composition. These materials also contain dislocations which will be distributed in some way throughout the individual grains and increase in density with deformation and typically form dislocation sub-cell arrangements - producing spatial distribution in dislocation density. Many materials also produce twinmore » or slip band structures with deformation which produce further heterogeneity within individual crystals. The objective of this first experiment is to probe the physics of dynamic solid-solid phase transformation and damage at length scales approaching those at which they nucleate in order to gain a detailed understanding of this process and the influence real material microstructure has on these events. These experiments would simultaneously be simulated by the appropriate modeling tools to further develop these predictive tools and to assist in our interpretation of experimental results.« less

Use of EBSD Data in Numerical Analyses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Becker, R; Wiland, H

2000-01-14

Experimentation, theory and modeling have all played vital roles in defining what is known about microstructural evolution and the effects of microstructure on material properties. Recently, technology has become an enabling factor, allowing significant advances to be made on several fronts. Experimental evidence of crystallographic slip and the basic theory of crystal plasticity were established in the early 20th Century, and the theory and models evolved incrementally over the next 60 years. (Asaro provides a comprehensive review of the mechanisms and basic plasticity models.) During this time modeling was primarily concerned with the average response of polycrystalline aggregates. While somemore » detailed finite element modeling (FEM) with crystal plasticity constitutive relations was done in the early 1980s, such simulations over taxed the capabilities of the available computer hardware. Advances in computer capability led to a flurry of activity in finite element modeling in the next 10 years, increasing understanding of microstructure evolution and pushing the limits of theories and material characterization. Automated Electron Back Scatter Diffraction (EBSD) has produced a similar revolution in material characterization. The data collected is extensive and many questions about the evolution of microstructure and its role in determining mechanic properties can now be addressed. It is also now possible to obtain sufficient information about lattice orientations on a fine enough scale to allow detailed quantitative comparisons of experiments and newly emerging large scale numerical simulations. The insight gained from the coupling of EBSD and FEM studies will provide impetus for further development of microstructure models and theories of microstructure evolution. Early studies connecting EBSD data to finite element models used manual measurements to define initial orientations for the simulation. In one study, manual measurements of the deformed structure were also obtained for comparison with the model predictions. More recent work has taken advantage of automated data collection on deformed specimens as a means of collecting detailed and spatially correlated data for model validation. Although it will not be discussed in detail here, another area in which EBSD data is having a great impact is on recrystallization modeling. EBSD techniques can be used to collect data for quantitative microstructural analysis. This data can be used to infer growth kinetics of specific orientations, and this information can be synthesized into more accurate grain growth or recrystallization models. Another role which EBSD techniques may play is in determining initial structures for recrystallization models. A realistic starting structure is vital for evaluating the models, and attempts at predicting realistic structures with finite element simulations are not yet successful. As methodologies and equipment resolution continue to improve, it is possible that measured structures will serve as input for recrystallization models. Simulations have already been run using information obtained manually from a TEM.« less

Progress Toward an Integration of Process-Structure-Property-Performance Models for "Three-Dimensional (3-D) Printing" of Titanium Alloys

NASA Astrophysics Data System (ADS)

Collins, P. C.; Haden, C. V.; Ghamarian, I.; Hayes, B. J.; Ales, T.; Penso, G.; Dixit, V.; Harlow, G.

2014-07-01

Electron beam direct manufacturing, synonymously known as electron beam additive manufacturing, along with other additive "3-D printing" manufacturing processes, are receiving widespread attention as a means of producing net-shape (or near-net-shape) components, owing to potential manufacturing benefits. Yet, materials scientists know that differences in manufacturing processes often significantly influence the microstructure of even widely accepted materials and, thus, impact the properties and performance of a material in service. It is important to accelerate the understanding of the processing-structure-property relationship of materials being produced via these novel approaches in a framework that considers the performance in a statistically rigorous way. This article describes the development of a process model, the assessment of key microstructural features to be incorporated into a microstructure simulation model, a novel approach to extract a constitutive equation to predict tensile properties in Ti-6Al-4V (Ti-64), and a probabilistic approach to measure the fidelity of the property model against real data. This integrated approach will provide designers a tool to vary process parameters and understand the influence on performance, enabling design and optimization for these highly visible manufacturing approaches.

Multiscale modeling of ductile failure in metallic alloys

NASA Astrophysics Data System (ADS)

Pardoen, Thomas; Scheyvaerts, Florence; Simar, Aude; Tekoğlu, Cihan; Onck, Patrick R.

2010-04-01

Micromechanical models for ductile failure have been developed in the 1970s and 1980s essentially to address cracking in structural applications and complement the fracture mechanics approach. Later, this approach has become attractive for physical metallurgists interested by the prediction of failure during forming operations and as a guide for the design of more ductile and/or high-toughness microstructures. Nowadays, a realistic treatment of damage evolution in complex metallic microstructures is becoming feasible when sufficiently sophisticated constitutive laws are used within the context of a multilevel modelling strategy. The current understanding and the state of the art models for the nucleation, growth and coalescence of voids are reviewed with a focus on the underlying physics. Considerations are made about the introduction of the different length scales associated with the microstructure and damage process. Two applications of the methodology are then described to illustrate the potential of the current models. The first application concerns the competition between intergranular and transgranular ductile fracture in aluminum alloys involving soft precipitate free zones along the grain boundaries. The second application concerns the modeling of ductile failure in friction stir welded joints, a problem which also involves soft and hard zones, albeit at a larger scale.

Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Youping

This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such asmore » showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.« less

Constitutive modeling and dynamic softening mechanism during hot deformation of an ultra-pure 17%Cr ferritic stainless steel stabilized with Nb

NASA Astrophysics Data System (ADS)

Gao, Fei; Liu, Zhenyu; Misra, R. D. K.; Liu, Haitao; Yu, Fuxiao

2014-09-01

The hot deformation behavior of an ultra-pure 17%Cr ferritic stainless steel was studied in the temperature range of 750-1000 °C and strain rates of 0.5 to 10 s-1 using isothermal hot compression tests in a thermomechanical simulator. The microstructural evolution was investigated using electron backscattered diffraction and transmission electron microscopy. A modified constitutive equation considering the effect of strain on material constant was developed, which predicted the flow stress for the deformation conditions studied, except at 950 °C in 1 s-1 and 900 °C in 10 s-1. Decreasing deformation temperature and increasing strain was beneficial in refining the microstructure. Decreasing deformation temperature, the in-grain shear bands appeared in the microstructure. It is suggested that the dynamic softening mechanism is closely related to deformation temperature. At low deformation temperature, dynamic recovery was major softening mechanism and no dynamic recrystallization occurred. At high deformation temperature, dynamic softening was explained in terms of efficient dynamic recovery and limited continuous dynamic recrystallization. A drop in the flow stress was not found due to very small fraction of new grains nucleated during dynamic recrystallization.

Experiments and modeling to characterize microstructure and hardness in 304L

DOE PAGES

Deibler, Lisa Anne; Brown, Arthur; Puskar, Joseph D.

2017-01-12

Drawn 304L stainless steel tubing was subjected to 42 different annealing heat treatments with the goal of initializing a microstructural model to select a heat treatment to soften the tubing from a hardness of 305 Knoop to 225–275 Knoop. The amount of recrystallization and grain size caused by 18 heat treatments were analyzed via optical microscopy and image analysis, revealing the full range of recrystallization from 0 to 100%. The formation of carbides during the longer duration and higher-temperature heat treatments was monitored via transmission electron microscope evaluation. The experimental results informed a model which includes recovery, recrystallization, and grainmore » growth to predict microstructure and hardness. After initialization of the model, it was able to predict hardness with a R 2 value of 0.95 and recrystallization with an R 2 value of 0.99. As a result, the model was then utilized in the design and testing of a heat treatment to soften the tubing.« less

Coarsening Kinetics and Morphological Evolution in a Two-Phase Titanium Alloy During Heat Treatment

NASA Astrophysics Data System (ADS)

Xu, Jianwei; Zeng, Weidong; Jia, Zhiqiang; Sun, Xin; Zhao, Yawei

2016-03-01

The effects of alpha/beta heat treatment on microstructure evolution of Ti-17 alloy with a lamellar colony structure are established. Heat treatment experiments are conducted at 1103 or 1063 K for times ranging from 10 min to 8 h. The main features of microstructure evolution during heat treatment comprise static globularization and coarsening of primary alpha phase. Such behaviors can be accelerated by higher heat treatment temperature. Furthermore, globularization and coarsening behaviors show a faster rate at higher prestrain. In order to better understand the microstructure evolution of Ti-17 alloy during alpha/beta heat treatment, static globularization and coarsening behaviors are modeled in the theoretical frame of the Johnson-Mehl-Avarmi-Kolmogorov (JMAK) and Lifshitz-Slyozov-Wagner (LSW) theories, respectively. The JMAK and LSW kinetics parameters are derived under different experimental conditions. Agreements between measurements and predictions are found, indicating that the JMAK and LSW theories can be used to predict and trace static globularization and coarsening processes of Ti-17 alloy during alpha/beta heat treatment.

The importance of properties in modeling

NASA Technical Reports Server (NTRS)

Giamei, A. F.

1993-01-01

Casting and welding of superalloys, stainless steel and titanium alloys are processes which can be improved through modeling of heat flow, fluid flow, residual stress development, and microstructural evolution. These simulations require inputs of thermophysical data, some of which involves the partially or totally liquid state. In particular, these processes involve melting, flow in the liquid, and solidification. Modeling of such processes can lead to an improved understanding of defects such as shrinkage, inclusions, cracks, incomplete filling (or penetration), macrosegregation, improper grain structure, and deviations from dimensional specifications. Effective modeling can shorten process development time and improve quality. An approach to these problems is to develop efficient models; validate through correlations with thermal, distortion, and microstructural data; run parametric studies; extract knowledge based rules; and apply to adaptive closed loop control systems. With the appropriate pre- and post-processing, such analyses can be made 'user friendly'. This would include graphical user interfaces as well as realistic images and color maps. In such form, these models can be used for sensitivity analyses, which are useful in defining appropriate sensors and in the development of control strategies. Such modeling can be done at several levels, e.g., the MARO level, modeling large scale phenomena such as heat and fluid flow or material deformation; the MICRO level, modeling the development of dendrites, grains or precipitates; or at the NANO level, modeling point defects, dislocations, stacking faults, etc. There are many computational issues associated with these simulations, e.g. computational efficiency and accuracy. In addition, there are many materials issues, not the least of which is the availability of accurate high temperature thermophysical data for complex alloys. This would include latent heat of fusion, temperature dependent heat capacity and thermal conductivity (for liquid and solid), viscosity, surface tension, thermal expansion, mechanical properties, etc. Preliminary data is frequently gathered from the literature; however, this is often not available for modern alloys. If additional data are required, measurements can be used; however, these are costly, time consuming and can be erroneous due to a lack of testing standards or impure materials. Microstructural predictors can be extracted from thermal information, e.g. cooling rate and thermal gradient; the prediction of microstructure is dependent on solidus and liquidus temperature, mushy zone permeability, the solidification curve, volume changes, phase transformations, alloying effects (such as surface tension or viscosity), mold/metal reactions, metal/environment reactions, etc. Defect maps may be needed to predict the onset of shrinkage, hot cracking or 'freckling'. Constants may be needed for stress relaxation, dendrite coarsening, vaporization, etc. Visualization was used as a tool to better comprehend complex data sets associated with the analysis of directional solidification (including crystal growth) and welding. Examples include not only isotherms, but also cooling rate, growth rate and thermal gradient. The latter two are not single valued scalars, but rather time and space dependent vector fields. Efficient models were developed for both casting and welding to predict heat flow and the relationship to dendrite and grain growth. These codes include many of the non-linear effects, e.g. radiation, which dominate these processes. The home-built FDM code(s) were designed to be useful not only to the scientist, but also to the process engineer. Special output can be requested to compare directly to experimental data. Visualization procedures were developed to visualize critical results, e.g. fusion zone width at the surface opposite that where the arc is applied ('penetration'). Both elaborate and simplified distortion analyses were carried out. It is clear that extensive mechanical property data are critical in order to accurately predict residual stress patterns. A scheme is currently being developed to integrate these modeling tools into a set of control algorithms; however, the success of this approach is critically dependent on the availability of accurate high temperature thermophysical data.

Dynamic fragmentation of cellular, ice-templated alumina scaffolds

DOE PAGES

Tan, Yi Ming; Cervantes, Octavio; Nam, SeanWoo; ...

2016-01-08

Here, we examine the dynamic failure of ice-templated freeze-cast alumina scaffolds that are being considered as biomimetic hierarchical structures. Three porosities of alumina freeze-cast structures were fabricated, and a systematic variation in microstructural properties such as lamellar width and thickness was observed with changing porosity. Dynamic impact tests were performed in a light-gas gun to examine the failure properties of these materials under high strain-rate loading. Nearly complete delamination was observed following impact, along with characteristic cracking across the lamellar width. Average fragment size decreases with increasing porosity, and a theoretical model was developed to explain this behavior based onmore » microstructural changes. Using an energy balance between kinetic, strain, and surface energies within a single lamella, we are able to accurately predict the characteristic fragment size using only standard material properties of bulk alumina.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Hongyi; Li, Yang; Zeng, Danielle

Process integration and optimization is the key enabler of the Integrated Computational Materials Engineering (ICME) of carbon fiber composites. In this paper, automated workflows are developed for two types of composites: Sheet Molding Compounds (SMC) short fiber composites, and multi-layer unidirectional (UD) composites. For SMC, the proposed workflow integrates material processing simulation, microstructure representation volume element (RVE) models, material property prediction and structure preformation simulation to enable multiscale, multidisciplinary analysis and design. Processing parameters, microstructure parameters and vehicle subframe geometry parameters are defined as the design variables; the stiffness and weight of the structure are defined as the responses. Formore » multi-layer UD structure, this work focuses on the discussion of different design representation methods and their impacts on the optimization performance. Challenges in ICME process integration and optimization are also summarized and highlighted. Two case studies are conducted to demonstrate the integrated process and its application in optimization.« less

Multi-scale Modeling of Radiation Damage: Large Scale Data Analysis

NASA Astrophysics Data System (ADS)

Warrier, M.; Bhardwaj, U.; Bukkuru, S.

2016-10-01

Modification of materials in nuclear reactors due to neutron irradiation is a multiscale problem. These neutrons pass through materials creating several energetic primary knock-on atoms (PKA) which cause localized collision cascades creating damage tracks, defects (interstitials and vacancies) and defect clusters depending on the energy of the PKA. These defects diffuse and recombine throughout the whole duration of operation of the reactor, thereby changing the micro-structure of the material and its properties. It is therefore desirable to develop predictive computational tools to simulate the micro-structural changes of irradiated materials. In this paper we describe how statistical averages of the collision cascades from thousands of MD simulations are used to provide inputs to Kinetic Monte Carlo (KMC) simulations which can handle larger sizes, more defects and longer time durations. Use of unsupervised learning and graph optimization in handling and analyzing large scale MD data will be highlighted.

Trends in Solidification Grain Size and Morphology for Additive Manufacturing of Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Gockel, Joy; Sheridan, Luke; Narra, Sneha P.; Klingbeil, Nathan W.; Beuth, Jack

2017-12-01

Metal additive manufacturing (AM) is used for both prototyping and production of final parts. Therefore, there is a need to predict and control the microstructural size and morphology. Process mapping is an approach that represents AM process outcomes in terms of input variables. In this work, analytical, numerical, and experimental approaches are combined to provide a holistic view of trends in the solidification grain structure of Ti-6Al-4V across a wide range of AM process input variables. The thermal gradient is shown to vary significantly through the depth of the melt pool, which precludes development of fully equiaxed microstructure throughout the depth of the deposit within any practical range of AM process variables. A strategy for grain size control is demonstrated based on the relationship between melt pool size and grain size across multiple deposit geometries, and additional factors affecting grain size are discussed.

Evolution of the viscosity of Earth's upper mantle: Grain-boundary sliding and the role of microstructure in olivine deformation

NASA Astrophysics Data System (ADS)

Hansen, Lars N.

Many features of plate tectonics cannot be explained with standard rheological models of the upper mantle. In particular, the localization of deformation at plate boundaries requires the viscosity of the constituent rocks to evolve spatially and temporally. Such rheological complexity may arise from changing microstructural state variables (e.g., grain size and crystallographic-fabric strength), but the degree to which microstructure contributes to the evolution of viscosity is unclear given our current understanding of deformation mechanisms in mantle minerals. Dislocation-accommodated grain-boundary sliding (GBS) is a potentially critical mechanism for localizing deformation in olivine because it imparts a sensitivity of the viscosity to the state of the microstructure while simultaneously providing mechanisms for changing the microstructure. However, many details of GBS in olivine are currently unknown including 1) the magnitude of the sensitivity of strain rate to crystallographic fabric and grain size, 2) the strength of the crystallographic fabrics produced, and 3) the anisotropy in viscosity of polycrystalline aggregates. Detailed knowledge of these unknowns is necessary to assess the importance of microstructural evolution in the operation of plate tectonics. This dissertation investigates the details of GBS in olivine through four sets of laboratory-based experiments. In Chapter 2, triaxial compressive creep experiments on aggregates of San Carlos olivine are used to develop a flow law for olivine deforming by GBS. Extrapolations of strain rate to geological conditions using the derived flow law indicate that GBS is the dominant deformation mechanism throughout the uppermost mantle. Crystallographic fabrics observed in deformed samples are consistent with upper-mantle seismic anisotropy. In Chapter 3, torsion experiments on iron-rich olivine are used to determine the rheological behavior of olivine deforming by GBS at large strains. The sensitivity of the strain rate to grain size and stress is demonstrated to be consistent with low-strain experiments. Additionally, the sensitivity of strain rate to the development of a crystallographic fabric is determined. Constitutive relationships including microstructural evolution are developed that accurately predict the observed stress as a function of strain. The results of Chapter 3 confirm that significant weakening is associated with both grain-size reduction and crystallographic-fabric development. In Chapter 4, torsion experiments on iron-rich olivine are used to determine if microstructural evolution can lead to strain localization. Experiments were conducted with either constant-strain-rate or constant-stress boundary conditions. Localization is only observed in samples deformed at constant-stress, which suggests boundary conditions affect the critical size of strength perturbation necessary for localization to occur. Strain localization is correlated with fine-grained regions, and a feedback mechanism between grain-size reduction and strain rate is proposed. In Chapter 5, both torsion and tension experiments are used to assess the mechanical anisotropy of previously deformed samples. Based on the direction of the applied stress relative to the orientation of a pre-existing crystallographic fabric, the viscosity is demonstrated to vary by over an order of magnitude. This observation suggests deformation can localize in regions that were previously deformed and retained a strong crystallographic fabric. The results of this dissertation elucidate the interplay between microstructure and deformation of olivine in the GBS regime. Because the viscosity of olivine-rich rocks deforming by GBS is dependent on both grain size and crystallographic fabric, heterogeneities in these microstructural parameters can lead to spatial and temporal variations in viscosity, possibly explaining the large-scale patterns of deformation in the upper mantle. Future numerical simulations can test the importance of microstructure in geodynamic processes by incorporating the constitutive relationships outlined in this dissertation.

Microstructural Integrity of the Corpus Callosum Linked with Neuropsychological Performance in Adolescents

ERIC Educational Resources Information Center

Fryer, Susanna L.; Frank, Lawrence R.; Spadoni, Andrea D.; Theilmann, Rebecca J.; Nagel, Bonnie J.; Schweinsburg, Alecia D.; Tapert, Susan F.

2008-01-01

Background: Diffusion tensor imaging (DTI) has revealed microstructural aspects of adolescent brain development, the cognitive correlates of which remain relatively uncharacterized. Methods: DTI was used to assess white matter microstructure in 18 typically developing adolescents (ages 16-18). Fractional anisotropy (FA) and mean diffusion (MD)…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodgers, Theron M.; Madison, Jonathan D.; Tikare, Veena

Additive manufacturing (AM) is of tremendous interest given its ability to realize complex, non-traditional geometries in engineered structural materials. But, microstructures generated from AM processes can be equally, if not more, complex than their conventionally processed counterparts. While some microstructural features observed in AM may also occur in more traditional solidification processes, the introduction of spatially and temporally mobile heat sources can result in significant microstructural heterogeneity. While grain size and shape in metal AM structures are understood to be highly dependent on both local and global temperature profiles, the exact form of this relation is not well understood. Wemore » implement an idealized molten zone and temperature-dependent grain boundary mobility in a kinetic Monte Carlo model to predict three-dimensional grain structure in additively manufactured metals. In order to demonstrate the flexibility of the model, synthetic microstructures are generated under conditions mimicking relatively diverse experimental results present in the literature. Simulated microstructures are then qualitatively and quantitatively compared to their experimental complements and are shown to be in good agreement.« less

Microstructure-sensitive plasticity and fatigue modeling of extruded 6061 aluminum alloys

NASA Astrophysics Data System (ADS)

McCullough, Robert Ross

In this study, the development of fatigue failure and stress anisotropy in light weight ductile metal alloys, specifically Al-Mg-Si aluminum alloys, was investigated. The experiments were carried out on an extruded 6061 aluminum alloy. Reverse loading experiments were performed up to a prestrain of 5% in both tension-followed-by-compression and compression-followed-by-tension. The development of isotropic and kinematic hardening and subsequent anisotropy was indicated by the observation of the Bauschinger effect phenomenon. Experimental results show that 6061 aluminum alloy exhibited a slight increase in the kinematic hardening versus applied prestrain. However, the ratio of kinematic-to-isotropic hardening remained near unity. An internal state variable (ISV) plasticity and damage model was used to capture the evolution of the anisotropy for the as-received T6 and partially annealed conditions. Following the stress anisotropy experiments, the same extruded 6061 aluminum alloy was tested under fully reversing, strain-controlled low cycle fatigue at up to 2.5% strain amplitudes and two heat treatment conditions. Observations were made of the development of striation fields up to the point of nucleation at cracked and clustered precipitants and free surfaces through localized precipitant slip band development. A finite element enabled micro-mechanics study of fatigue damage development of local strain field in the presence of hard phases was conducted. Both the FEA and experimental data sets were utilized in the implementation of a multi-stage fatigue model in order to predict the microstructure response, including fatigue nucleation and propagation contributions on the total fatigue life in AA6061. Good correlation between experimental and predicted results in the number of cycles to final failure was observed. The AA6061 material maintained relatively consistent low cycle fatigue performance despite two different heat treatments.

Mechanical Properties and Microstructural Evolution of Welded Eglin Steel

NASA Astrophysics Data System (ADS)

Leister, Brett M.

Eglin steel is a new ultra-high strength steel that has been developed at Eglin Air Force Base in the early 2000s. This steel could be subjected to a variety of processing steps during fabrication, each with its own thermal history. This article presents a continuous cooling transformation diagram developed for Eglin steel to be used as a guideline during processing. Dilatometry techniques performed on a Gleeble thermo-mechanical simulator were combined with microhardness results and microstructural characterization to develop the diagram. The results show that four distinct microstructures form within Eglin steel depending on the cooling rate. At cooling rates above about 1 °C/s, a predominately martensitic microstructure is formed with hardness of ˜520 HV. Intermediate cooling rates of 1 °C/s to 0.2 °C/s produce a mixed martensitic/bainitic microstructure with a hardness that ranges from 520 - 420 HV. Slower cooling rates of 0.1 °C/s to 0.03 °C/s lead to the formation of a bainitic microstructure with a hardness of ˜420 HV. The slowest cooling rate of 0.01 °C/s formed a bainitic microstructure with pearlite at the prior austenite grain boundaries. A comprehensive study was performed to correlate the mechanical properties and the microstructural evolution in the heat affected zone of thermally simulated Eglin steel. A Gleeble 3500 thermo-mechanical simulator was used to resistively heat samples of wrought Eglin steel according to calculated thermal cycles with different peak temperatures at a heat input of 1500 J/mm. These samples underwent mechanical testing to determine strength and toughness, in both the `as-simulated' condition and also following post-weld heat treatments. Mechanical testing has shown that the inter-critical heat affected zone (HAZ) has the lowest strength following thermal simulation, and the fine-grain and coarse-grain heat affected zone having an increased strength when compared to the inter-critical HAZ. The toughness of the heat affected zone in the as-simulated condition is lower than that of the base metal. Post-weld heat treatments (PWHT) have been shown to increase the toughness of the HAZ, but at the expense of strength. In addition, certain combinations of PWHTs within specific HAZ regions have exhibited low toughness caused by tempered martensite embrittlement or intergranular failure. Synchrotron X-ray diffraction data has shown that Eglin steel has retained austenite in the fine-grain HAZ in the as-simulated condition. In addition, alloy carbides (M23C 6, M2C, M7C3) have been observed in the diffraction spectra for the fine-grain and coarse-grain HAZ following a PWHT of 700 °C / 4 hours. A first attempt at thermodynamic modeling has been undertaken using MatCalc to try to predict the evolution of carbides in the HAZ following thermal cycling and PWHT.

Importance of filter’s microstructure in dynamic filtration modeling of gasoline particulate filters (GPFs): Inhomogeneous porosity and pore size distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gong, Jian; Stewart, Mark L.; Zelenyuk, Alla

The state-of-the-art multiscale modeling of GPFs including channel scale, wall scale, and pore scale is described. The microstructures of two GPFs were experimentally characterized. The pore size distributions of the GPFs were determined by mercury porosimetry. The porosity was measured by X-ray computed tomography (CT) and found to be inhomogeneous across the substrate wall. The significance of pore size distribution with respect to filtration performance was analyzed. The predictions of filtration efficiency were improved by including the pore size distribution in the filtration model. A dynamic heterogeneous multiscale filtration (HMF) model was utilized to simulate particulate filtration on a singlemore » channel particulate filter with realistic particulate emissions from a spark-ignition direct-injection (SIDI) gasoline engine. The dynamic evolution of filter’s microstructure and macroscopic filtration characteristics including mass- and number-based filtration efficiencies and pressure drop were predicted and discussed. The microstructure of the GPF substrate including inhomogeneous porosity and pore size distribution is found to significantly influence local particulate deposition inside the substrate and macroscopic filtration performance and is recommended to be resolved in the filtration model to simulate and evaluate the filtration performance of GPFs.« less

Importance of filter’s microstructure in dynamic filtration modeling of gasoline particulate filters (GPFs): Inhomogeneous porosity and pore size distribution

DOE PAGES

Gong, Jian; Stewart, Mark L.; Zelenyuk, Alla; ...

2018-01-03

The state-of-the-art multiscale modeling of gasoline particulate filter (GPF) including channel scale, wall scale, and pore scale is described. The microstructures of two GPFs were experimentally characterized. The pore size distributions of the GPFs were determined by mercury porosimetry. The porosity was measured by X-ray computed tomography (CT) and found to be inhomogeneous across the substrate wall. The significance of pore size distribution with respect to filtration performance was analyzed. The predictions of filtration efficiency were improved by including the pore size distribution in the filtration model. A dynamic heterogeneous multiscale filtration (HMF) model was utilized to simulate particulate filtrationmore » on a single channel particulate filter with realistic particulate emissions from a spark-ignition direct-injection (SIDI) gasoline engine. The dynamic evolution of filter’s microstructure and macroscopic filtration characteristics including mass- and number-based filtration efficiencies and pressure drop were predicted and discussed. In conclusion, the microstructure of the GPF substrate including inhomogeneous porosity and pore size distribution is found to significantly influence local particulate deposition inside the substrate and macroscopic filtration performance and is recommended to be resolved in the filtration model to simulate and evaluate the filtration performance of GPFs.« less

Importance of filter’s microstructure in dynamic filtration modeling of gasoline particulate filters (GPFs): Inhomogeneous porosity and pore size distribution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gong, Jian; Stewart, Mark L.; Zelenyuk, Alla

The state-of-the-art multiscale modeling of gasoline particulate filter (GPF) including channel scale, wall scale, and pore scale is described. The microstructures of two GPFs were experimentally characterized. The pore size distributions of the GPFs were determined by mercury porosimetry. The porosity was measured by X-ray computed tomography (CT) and found to be inhomogeneous across the substrate wall. The significance of pore size distribution with respect to filtration performance was analyzed. The predictions of filtration efficiency were improved by including the pore size distribution in the filtration model. A dynamic heterogeneous multiscale filtration (HMF) model was utilized to simulate particulate filtrationmore » on a single channel particulate filter with realistic particulate emissions from a spark-ignition direct-injection (SIDI) gasoline engine. The dynamic evolution of filter’s microstructure and macroscopic filtration characteristics including mass- and number-based filtration efficiencies and pressure drop were predicted and discussed. In conclusion, the microstructure of the GPF substrate including inhomogeneous porosity and pore size distribution is found to significantly influence local particulate deposition inside the substrate and macroscopic filtration performance and is recommended to be resolved in the filtration model to simulate and evaluate the filtration performance of GPFs.« less

Modeling creep deformation of a two-phase TiAI/Ti3Al alloy with a lamellar microstructure

NASA Astrophysics Data System (ADS)

Bartholomeusz, Michael F.; Wert, John A.

1994-10-01

A two-phase TiAl/Ti3Al alloy with a lamellar microstructure has been previously shown to exhibit a lower minimum creep rate than the minimum creep rates of the constituent TiAl and Ti3Al single-phase alloys. Fiducial-line experiments described in the present article demonstrate that the creep rates of the constituent phases within the two-phase TiAl/Ti3Al lamellar alloy tested in compression are more than an order of magnitude lower than the creep rates of single-phase TiAl and Ti3Al alloys tested in compression at the same stress and temperature. Additionally, the fiducial-line experiments show that no interfacial sliding of the phases in the TiAl/Ti3Al lamellar alloy occurs during creep. The lower creep rate of the lamellar alloy is attributed to enhanced hardening of the constituent phases within the lamellar microstructure. A composite-strength model has been formulated to predict the creep rate of the lamellar alloy, taking into account the lower creep rates of the constituent phases within the lamellar micro-structure. Application of the model yields a very good correlation between predicted and experimentally observed minimum creep rates over moderate stress and temperature ranges.

Recrystallization and Grain Growth Kinetics in Binary Alpha Titanium-Aluminum Alloys

NASA Astrophysics Data System (ADS)

Trump, Anna Marie

Titanium alloys are used in a variety of important naval and aerospace applications and often undergo thermomechanical processing which leads to recrystallization and grain growth. Both of these processes have a significant impact on the mechanical properties of the material. Therefore, understanding the kinetics of these processes is crucial to being able to predict the final properties. Three alloys are studied with varying concentrations of aluminum which allows for the direct quantification of the effect of aluminum content on the kinetics of recrystallization and grain growth. Aluminum is the most common alpha stabilizing alloying element used in titanium alloys, however the effect of aluminum on these processes has not been previously studied. This work is also part of a larger Integrated Computational Materials Engineering (ICME) effort whose goal is to combine both computational and experimental efforts to develop computationally efficient models that predict materials microstructure and properties based on processing history. The static recrystallization kinetics are measured using an electron backscatter diffraction (EBSD) technique and a significant retardation in the kinetics is observed with increasing aluminum concentration. An analytical model is then used to capture these results and is able to successfully predict the effect of solute concentration on the time to 50% recrystallization. The model reveals that this solute effect is due to a combination of a decrease in grain boundary mobility and a decrease in driving force with increasing aluminum concentration. The effect of microstructural inhomogeneities is also experimentally quantified and the results are validated with a phase field model for recrystallization. These microstructural inhomogeneities explain the experimentally measured Avrami exponent, which is lower than the theoretical value calculated by the JMAK model. Similar to the effect seen in recrystallization, the addition of aluminum also significantly slows downs the grain growth kinetics. This is generally attributed to the solute drag effect due to segregation of solute atoms at the grain boundaries, however aluminum segregation is not observed in these alloys. The mechanism for this result is explained and is used to validate the prediction of an existing model for solute drag.

A novel method of multi-scale simulation of macro-scale deformation and microstructure evolution on metal forming

NASA Astrophysics Data System (ADS)

Huang, Shiquan; Yi, Youping; Li, Pengchuan

2011-05-01

In recent years, multi-scale simulation technique of metal forming is gaining significant attention for prediction of the whole deformation process and microstructure evolution of product. The advances of numerical simulation at macro-scale level on metal forming are remarkable and the commercial FEM software, such as Deform2D/3D, has found a wide application in the fields of metal forming. However, the simulation method of multi-scale has little application due to the non-linearity of microstructure evolution during forming and the difficulty of modeling at the micro-scale level. This work deals with the modeling of microstructure evolution and a new method of multi-scale simulation in forging process. The aviation material 7050 aluminum alloy has been used as example for modeling of microstructure evolution. The corresponding thermal simulated experiment has been performed on Gleeble 1500 machine. The tested specimens have been analyzed for modeling of dislocation density, nucleation and growth of recrystallization(DRX). The source program using cellular automaton (CA) method has been developed to simulate the grain nucleation and growth, in which the change of grain topology structure caused by the metal deformation was considered. The physical fields at macro-scale level such as temperature field, stress and strain fields, which can be obtained by commercial software Deform 3D, are coupled with the deformed storage energy at micro-scale level by dislocation model to realize the multi-scale simulation. This method was explained by forging process simulation of the aircraft wheel hub forging. Coupled the results of Deform 3D with CA results, the forging deformation progress and the microstructure evolution at any point of forging could be simulated. For verifying the efficiency of simulation, experiments of aircraft wheel hub forging have been done in the laboratory and the comparison of simulation and experiment result has been discussed in details.

Development of Matrix Microstructures in UHTC Composites

NASA Technical Reports Server (NTRS)

Johnson, Sylvia; Stackpoole, Margaret; Gusman, Michael

2012-01-01

One of the major issues hindering the use of ultra high temperature ceramics for aerospace applications is low fracture toughness. There is considerable interest in developing fiber-reinforced composites to improve fracture toughness. Considerable knowledge has been gained in controlling and improving the microstructure of monolithic UHTCs, and this paper addresses the question of transferring that knowledge to composites. Some model composites have been made and the microstructures of the matrix developed has been explored and compared to the microstructure of monolithic materials in the hafnium diboride/silicon carbide family. Both 2D and 3D weaves have been impregnated and processed.

Micromechanical modelling of polyethylene

NASA Astrophysics Data System (ADS)

Alvarado Contreras, Jose Andres

2008-10-01

The increasing use of polyethylene in diverse applications motivates the need for understanding how its molecular properties relate to the overall behaviour of the material. Although microstructure and mechanical properties of polymers have been the subject of several studies, the irreversible microstructural rearrangements occurring at large deformations are not completely understood. The purpose of this thesis is to describe how the concepts of Continuum Damage Mechanics can be applied to modelling of polyethylene materials under different loading conditions. The first part of the thesis consists of the theoretical formulation and numerical implementation of a three-dimensional micromechanical model for crystalline polyethylene. Based on the theory of shear slip on crystallographic planes, the proposed model is expressed in the framework of viscoplasticity coupled with degradation at large deformations. Earlier models aid in the interpretation of the mechanical behaviour of crystalline polyethylene under different loading conditions; however, they cannot predict the microstructural damage caused by deformation. The model, originally due to Parks and Ahzi (199o), was further developed in the light of the concept of Continuum Damage Mechanics to consider the original microstructure, the particular irreversible rearrangements, and the deformation mechanisms. Damage mechanics has been a matter of intensive research by many authors, yet it has not been introduced to the micromodelling of semicrystalline polymeric materials such as polyethylene. Regarding the material representation, the microstructure is simplified as an aggregate of randomly oriented and perfectly bonded crystals. To simulate large deformations, the new constitutive model attempts to take into account existence of intracrystalline microcracks. The second part of the work presents the theoretical formulation and numerical implementation of a three-dimensional constitutive model for the mechanical behaviour of semicrystalline polyethylene. The model proposed herein attempts to describe the deformation and degradation process in semicrystalline polyethylene following the approach of damage mechanics. Structural degradation, an important phenomenon at large deformations, has not received sufficient attention in the literature. The modifications to the constitutive equations consist essentially of introducing the concept of Continuum Damage Mechanics to describe the rupture of the intermolecular (van der Waals) bonds that hold crystals as coherent structures. In order to model the mechanical behaviour, the material morphology is simplified as a collection of inclusions comprising the crystalline and amorphous phases with their characteristic average volume fractions. In the spatial arrangement, each inclusion consists of crystalline material lying in a thin lamella attached to an amorphous layer. To consider microstructural damage, two different approaches are analyzed. The first approach assumes damage occurs only in the crystalline phase, i.e., degradation of the amorphous phase is ignored. The second approach considers the effect of damage on the mechanical behaviour of both the amorphous and crystalline phases. To illustrate the proposed constitutive formulations, the models were used to predict the responses of crystalline and semicrystalline polyethylene under uniaxial tension and simple shear. The numerical simulations were compared with experimental data previously obtained by Bartczak et al. (1994), G'Sell and Jonas (1981), G'Sell et al. (1983), Hillmansen et al. (2000), and Li et al. (2001). Our model's predictions show a consistently good agreement with the experimental results and a significant improvement with respect to the ones obtained by Parks and Ahzi (1990), Schoenfeld et al. (1995), Yang and Chen (2001), Lee et al. (i993b), Lee et al. (1993a), and Nikolov et al. (2006). The newly proposed formulations demonstrate that these types of constitutive models based on Continuum Damage Mechanics are appropriate for predicting large deformations and failure in polyethylene materials.

Imaging brain tumour microstructure.

PubMed

Nilsson, Markus; Englund, Elisabet; Szczepankiewicz, Filip; van Westen, Danielle; Sundgren, Pia C

2018-05-08

Imaging is an indispensable tool for brain tumour diagnosis, surgical planning, and follow-up. Definite diagnosis, however, often demands histopathological analysis of microscopic features of tissue samples, which have to be obtained by invasive means. A non-invasive alternative may be to probe corresponding microscopic tissue characteristics by MRI, or so called 'microstructure imaging'. The promise of microstructure imaging is one of 'virtual biopsy' with the goal to offset the need for invasive procedures in favour of imaging that can guide pre-surgical planning and can be repeated longitudinally to monitor and predict treatment response. The exploration of such methods is motivated by the striking link between parameters from MRI and tumour histology, for example the correlation between the apparent diffusion coefficient and cellularity. Recent microstructure imaging techniques probe even more subtle and specific features, providing parameters associated to cell shape, size, permeability, and volume distributions. However, the range of scenarios in which these techniques provide reliable imaging biomarkers that can be used to test medical hypotheses or support clinical decisions is yet unknown. Accurate microstructure imaging may moreover require acquisitions that go beyond conventional data acquisition strategies. This review covers a wide range of candidate microstructure imaging methods based on diffusion MRI and relaxometry, and explores advantages, challenges, and potential pitfalls in brain tumour microstructure imaging. Copyright © 2018. Published by Elsevier Inc.

Report on Understanding and Predicting Effects of Thermal Aging on Microstructure and Tensile Properties of Grade 91 Steel for Structural Components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Meimei; Natesan, K.; Chen, Weiying

This report provides an update on understanding and predicting the effects of long-term thermal aging on microstructure and tensile properties of G91 to corroborate the ASME Code rules in strength reduction due to elevated temperature service. The research is to support the design and long-term operation of G91 structural components in sodium-cooled fast reactors (SFRs). The report is a Level 2 deliverable in FY17 (M2AT-17AN1602017), under the Work Package AT-17AN160201, “SFR Materials Testing” performed by the Argonne National Laboratory (ANL), as part of the Advanced Reactor Technologies Program.

Shear thickening regimes of dense non-Brownian suspensions.

PubMed

Ness, Christopher; Sun, Jin

2016-01-21

We propose a unifying rheological framework for dense suspensions of non-Brownian spheres, predicting the onsets of particle friction and particle inertia as distinct shear thickening mechanisms, while capturing quasistatic and soft particle rheology at high volume fractions and shear rates respectively. Discrete element method simulations that take suitable account of hydrodynamic and particle-contact interactions corroborate the model predictions, demonstrating both mechanisms of shear thickening, and showing that they can occur concurrently with carefully selected particle surface properties under certain flow conditions. Microstructural transitions associated with frictional shear thickening are presented. We find very distinctive divergences of both microstructural and dynamic variables with respect to volume fraction in the thickened and non-thickened states.

Time dependent reliability model incorporating continuum damage mechanics for high-temperature ceramics

NASA Technical Reports Server (NTRS)

Duffy, Stephen F.; Gyekenyesi, John P.

1989-01-01

Presently there are many opportunities for the application of ceramic materials at elevated temperatures. In the near future ceramic materials are expected to supplant high temperature metal alloys in a number of applications. It thus becomes essential to develop a capability to predict the time-dependent response of these materials. The creep rupture phenomenon is discussed, and a time-dependent reliability model is outlined that integrates continuum damage mechanics principles and Weibull analysis. Several features of the model are presented in a qualitative fashion, including predictions of both reliability and hazard rate. In addition, a comparison of the continuum and the microstructural kinetic equations highlights a strong resemblance in the two approaches.

Evolution of Local Microstructures (ELMS): Spatial Instabilities of Coarsening

NASA Technical Reports Server (NTRS)

Glicksman, Martin E.; Frazier, Donald O.; Rogers, Jan R.; Witherow, William K.; Downey, J. Patton; Facemire, Barbara R.

1999-01-01

This work examines the diffusional growth of discrete phase particles dispersed within a matrix. Engineering materials are microstructurally heterogeneous, and the details of the microstructure determine how well that material performs in a given application. Critical to the development of designing multiphase microstructures with long-term stability is the process of Ostwald ripening. Ripening, or phase coarsening, is a diffusion-limited process which arises in polydisperse multiphase materials. Growth and dissolution occur because fluxes of solute, driven by chemical potential gradients at the interfaces of the dispersed phase material, depend on particle size. The kinetics of these processes are "competitive," dictating that larger particles grow at the expense of smaller ones, overall leading to an increase of the average particle size. The classical treatment of phase coarsening was done by Todes, Lifshitz, and Slyozov, (TLS) in the limit of zero volume fraction, V(sub v), of the dispersed phase. Since the publication of TLS theory there have been numerous investigations, many of which sought to describe the kinetic scaling behavior over a range of volume fractions. Some studies in the literature report that the relative increase in coarsening rate at low (but not zero) volume fractions compared to that / 2 1/ 3 predicted by TLS is proportional to V(sub v)(exp 1/2), whereas others suggest V(sub v)(exp 1/3). This issue has been resolved recently by simulation studies at low volume fractions in three dimensions by members of the Rensselaer/MSFC team.

Bio-chemo-mechanical models of vascular mechanics

PubMed Central

Kim, Jungsil; Wagenseil, Jessica E.

2014-01-01

Models of vascular mechanics are necessary to predict the response of an artery under a variety of loads, for complex geometries, and in pathological adaptation. Classic constitutive models for arteries are phenomenological and the fitted parameters are not associated with physical components of the wall. Recently, microstructurally-linked models have been developed that associate structural information about the wall components with tissue-level mechanics. Microstructurally-linked models are useful for correlating changes in specific components with pathological outcomes, so that targeted treatments may be developed to prevent or reverse the physical changes. However, most treatments, and many causes, of vascular disease have chemical components. Chemical signaling within cells, between cells, and between cells and matrix constituents affects the biology and mechanics of the arterial wall in the short- and long-term. Hence, bio-chemo-mechanical models that include chemical signaling are critical for robust models of vascular mechanics. This review summarizes bio-mechanical and bio-chemo-mechanical models with a focus on large elastic arteries. We provide applications of these models and challenges for future work. PMID:25465618

Effect of counterface roughness on the friction of bionic wall-shaped microstructures for gecko-like attachments.

PubMed

Kasem, Haytam; Cohen, Yossi

2017-08-04

Hairy adhesive systems involved in gecko locomotion have drawn the interest of many researchers regarding the development of bionic solutions for fast and reversible adhesive technologies. To date, despite extensive efforts to design gecko-inspired adhesive surfaces, adhesion and friction capacities are often evaluated using smooth and rigid counterfaces, in general glass, whereas most natural and artificial surfaces inevitably have a certain level of roughness. For that reason, in this study experiments tested the effects of the substrate roughness on the friction of bionic wale-shaped microstructures for gecko-like attachments. To this end, 12 substrates with different isotropic roughness were prepared using the same Epoxy material. Friction force was measured under various normal loads. It was concluded that classical roughness parameters, considered separately, are not appropriate to explain roughness-related variations in friction force. This has led us to develop a new integrative roughness parameter that combines characteristics of the surface. The parameter is capable of classifying the obtained experimental results in a readable way. An analytical model based on the experimental results has been developed to predict the variation of the friction force as a function of counterface roughness and applied normal load.

Quantitative analysis of microstructure deformation in creep fenomena of ferritic SA-213 T22 and austenitic SA-213 TP304H material

NASA Astrophysics Data System (ADS)

Mulyana, Cukup; Taufik, Ahmad; Gunawan, Agus Yodi; Siregar, Rustam Efendi

2013-09-01

The failure of critical component of fossil fired power plant that operated in creep range (high stress, high temperature and in the long term) depends on its microstructure characteristics. Ferritic low carbon steel (2.25Cr-1Mo) and Austenitic stainless alloy (18Cr-8Ni) are used as a boiler tube in the secondary superheater outlet header to deliver steam before entering the turbin. The tube failure is occurred in a form of rupture, resulting trip that disrupts the continuity of the electrical generation. The research in quantification of the microstructure deformation has been done in predicting the remaining life of the tube through interrupted accelerated creep test. For Austenitic Stainless Alloy (18Cr-8Ni), creep test was done in 550°C with the stress 424.5 MPa and for Ferritic Low Carbon Steel (2.25Cr-1Mo) in 570°C with the stress 189 MPa. The interrupted accelerated creep test was done by stopping the observation in condition 60%, 70%, 80% and 90% of remaining life, the creep test fracture was done before. Then the micro hardness test, photo micro, SEM and EDS were obtained from those samples. Refer to ASTM E122, microstructure parameters were calculated. The results indicated that there are a consistency of decreasing their grain diameters, increasing their grain size numbers, micro hardness, and the length of crack or void number per unit area with the decreasing of remaining life. While morphology of grain (stated in parameter α=LV/LH) relatively constant for austenitic. However, for ferritic the change of morphology revealed significantly. Fracture mode propagation of ferritic material is growth with voids transgranular and intergranular crack, and for austenitic material the fracture growth with intergranular creep fracture void and wedge crack. In this research, it was proposed a formulation of mathematical model for creep behavior corresponding their curve fitting resulted for the primary, secondary and tertiary in accelerated creep test. In addition, it was also developed a new method for predicting the remaining life using quantification of microstructure and using expansion of parameter Larson Miller from Taylor series for critical component in high temperature in industry. It was found that the proposed method was easier to be applied in field with the results more accurate then Larson Miller Method.

Predictions and Experimental Microstructural Characterization of High Strain Rate Failure Modes in Layered Aluminum Composites

NASA Astrophysics Data System (ADS)

Khanikar, Prasenjit

Different aluminum alloys can be combined, as composites, for tailored dynamic applications. Most investigations pertaining to metallic alloy layered composites, however, have been based on quasi-static approaches. The dynamic failure of layered metallic composites, therefore, needs to be characterized in terms of strength, toughness, and fracture response. A dislocation-density based crystalline plasticity formulation, finite-element techniques, rational crystallographic orientation relations and a new fracture methodology were used to predict the failure modes associated with the high strain rate behavior of aluminum layered composites. Two alloy layers, a high strength alloy, aluminum 2195, and an aluminum alloy 2139, with high toughness, were modeled with representative microstructures that included precipitates, dispersed particles, and different grain boundary (GB) distributions. The new fracture methodology, based on an overlap method and phantom nodes, is used with a fracture criteria specialized for fracture on different cleavage planes. One of the objectives of this investigation, therefore, was to determine the optimal arrangements of the 2139 and 2195 aluminum alloys for a metallic layered composite that would combine strength, toughness and fracture resistance for high strain-rate applications. Different layer arrangements were investigated for high strain-rate applications, and the optimal arrangement was with the high toughness 2139 layer on the bottom, which provided extensive shear strain localization, and the high strength 2195 layer on the top for high strength resistance. The layer thickness of the bottom high toughness layer also affected the bending behavior of the roll-boned interface and the potential delamination of the layers. Shear strain localization, dynamic cracking and delamination were the mutually competing failure mechanisms for the layered metallic composite, and control of these failure modes can be optimized for high strain-rate applications. The second major objective of this investigation was the use of recently developed dynamic fracture formulations to model and analyze the crack nucleation and propagation of aluminum layered composites subjected to high strain rate loading conditions and how microstructural effects, such as precipitates, dispersed particles, and GB orientations affect failure evolution. This dynamic fracture approach is used to investigate crack nucleation and crack growth as a function of the different microstructural characteristics of each alloy in layered composites with and without pre-existing cracks. The zigzag nature of the crack paths were mainly due to the microstructural features, such as precipitates and dispersed particles distributions and orientations ahead of the crack front, and it underscored the capabilities of the fracture methodology. The evolution of dislocation density and the formation of localized shear slip contributed to the blunting of the propagating crack. Extensive geometrical and thermal softening due to the localized plastic slip also affected crack path orientations and directions. These softening mechanisms resulted in the switching of cleavage planes, which affected crack path orientations. Interface delamination can also have an important role in the failure and toughening of the layered composites. Different scenarios of delamination were investigated, such as planar crack growth and crack penetration into the layers. The presence of brittle surface oxide platelets in the interface region also significantly influenced the interface delamination process. Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM) and Optical Microscopy (OM) characterization provided further physical insights and validation of the predictive capabilities. The inherent microstructural features of each alloy play a significant role in the dynamic fracture, shear strain localization, and interface delamination of the layered metallic composite. These microstructural features, such as precipitates, dispersed particles, and GB orientations and distributions can be optimized for desired behavior of metallic composites.

Prediction and experimental observation of damage dependent damping in laminated composite beams

NASA Technical Reports Server (NTRS)

Allen, D. H.; Harris, C. E.; Highsmith, A. L.

1987-01-01

The equations of motion are developed for laminated composite beams with load-induced matrix cracking. The damage is accounted for by utilizing internal state variables. The net result of these variables on the field equations is the introduction of both enhanced damping, and degraded stiffness. Both quantities are history dependent and spatially variable, thus resulting in nonlinear equations of motion. It is explained briefly how these equations may be quasi-linearized for laminated polymeric composites under certain types of structural loading. The coupled heat conduction equation is developed, and it is shown that an enhanced Zener damping effect is produced by the introduction of microstructural damage. The resulting equations are utilized to demonstrate how damage dependent material properties may be obtained from dynamic experiments. Finaly, experimental results are compared to model predictions for several composite layups.

Prediction and characterization of heat-affected zone formation due to neighboring nickel-aluminum multilayer foil reaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adams, David P.; Hirschfeld, Deidre A.; Hooper, Ryan J.

2015-09-01

Reactive multilayer foils have the potential to be used as local high intensity heat sources for a variety of applications. Much of the past research effort concerning these materials have focused on understanding the structure-property relationships of the foils that govern the energy released during a reaction. To enhance the ability of researchers to more rapidly develop technologies based on reactive multilayer foils, a deeper and more predictive understanding of the relationship between the heat released from the foil and microstructural evolution in the neighboring materials is needed. This work describes the development of a numerical model for the purposemore » of evaluating new foil-substrate combinations for screening and optimization. The model is experimentally validated using a commercially available Ni-Al multilayer foils and different alloys.« less

Damage percolation during stretch flange forming of aluminum alloy sheet

NASA Astrophysics Data System (ADS)

Chen, Zengtao; Worswick, Michael J.; Keith Pilkey, A.; Lloyd, David J.

2005-12-01

A multi-scale finite element (FE)-damage percolation model was employed to simulate stretch flange forming of aluminum alloys AA5182 and AA5754. Material softening and strain gradients were captured using a Gurson-based FE model. FE results were then fed into the so-called damage percolation code, from which the damage development was modelled within measured microstructures. The formability of the stretch flange samples was predicted based upon the onset of catastrophic failure triggered by profuse void coalescence within the measured second-phase particle field. Damage development is quantified in terms of crack and void areal fractions, and compared to metallographic results obtained from interrupted stretch flange specimens. Parametric study is conducted on the effect of void nucleation strain in the prediction of formability of stretch flanges to "calibrate" proper nucleation strains for both alloys.

Inelastic Deformation of Metal Matrix Composites. Part 1; Plasticity and Damage Mechanisms

NASA Technical Reports Server (NTRS)

Majumdar, B. S.; Newaz, G. M.

1992-01-01

The deformation mechanisms of a Ti 15-3/SCS6 (SiC fiber) metal matrix composite (MMC) were investigated using a combination of mechanical measurements and microstructural analysis. The objectives were to evaluate the contributions of plasticity and damage to the overall inelastic response, and to confirm the mechanisms by rigorous microstructural evaluations. The results of room temperature experiments performed on 0 degree and 90 degree systems primarily are reported in this report. Results of experiments performed on other laminate systems and at high temperatures will be provided in a forthcoming report. Inelastic deformation of the 0 degree MMC (fibers parallel to load direction) was dominated by the plasticity of the matrix. In contrast, inelastic deformations of the 90 degree composite (fibers perpendicular to loading direction) occurred by both damage and plasticity. The predictions of a continuum elastic plastic model were compared with experimental data. The model was adequate for predicting the 0 degree response; however, it was inadequate for predicting the 90 degree response largely because it neglected damage. The importance of validating constitutive models using a combination of mechanical measurements and microstructural analysis is pointed out. The deformation mechanisms, and the likely sequence of events associated with the inelastic deformation of MMCs, are indicated in this paper.

Microstructures and Argon age dating

NASA Astrophysics Data System (ADS)

Forster, Marnie; Fitz Gerald, John; Lister, Gordon

2010-05-01

Microstructures can be dated using 40Ar/39Ar geochronology, but certain conditions apply. In particular the nature of the physical processes that took place during development of need be identified, and the pattern of gas release (and/or retention) during their evolution in nature, and subsequently in the mass spectrometer, during the measurement process. Most researchers cite temperature as the sole variable of importance. There is a belief that there is a single "closure temperature" or a "closure interval" above which the mineral is incapable of retaining radiogenic argon. This is a false conception. Closure is practically relevant only in circumstances that see a rock cooled relatively rapidly from temperatures that were high enough to prevent significant accumulation of radiogenic argon, to temperatures below which there is insignificant loss of radiogenic argon through the remainder of the geological history. These conditions accurately apply only to a limited subset - for example to rocks that cool rapidly from a melt and thereafter remain at or close to the Earth's surface, without subsequent ingress of fluids that would cause alteration and modification of microstructure. Some minerals in metamorphic rocks might display such "cooling ages" but in principle these data are difficult to interpret since they depend on the rate of cooling, the pressures that applied, and the subsequent geological history. Whereas the science of "cooling ages" is relatively well understood, the science of the Argon Partial Retention Zone is in its infancy. In the Argon PRZ it is evident that ages should (and do) show a strong correlation with microstructure. The difficulty is that, since diffusion of Argon is simultaneously multi-path and multi-scale, it is difficult to directly interrogate the distinct reservoirs that store gas populations and thus the age information that can be recorded as to the multiple events during the history of an individual microstructure. Laser methods invariably record mixing ages, since the spot sizes are large. Carefully designed furnace step-heating experiments on the other hand seem well capable of sequentially extracting ages from different microstructural reservoirs, and this can be tested by comparing samples with different proportions of these microstructures. Here we examine the role of microstructure in Argon ‘age dating' by comparing and contrasting observed measurements with theoretical predictions developed on the basis of modelling and simulation of the effects of multi-path and multi-scale diffusion. We analyse these results in the context of microstructures observed in white micas and K-feldspar, at both the scale of the optical microscope as well as utilising electron microscopy. Examples from three different tectonic settings will be provided to illustrate the effect of the different variables that apply: a) the extensional South Cyclades Shear Zone, Greece; b) granitoids exhumed from ultra-high-pressures in the Dora Maira, Italy; and c) leucogranites shed from the Ladakh Batholith into the Indus Formation, NW India.

Modeling macro-and microstructures of gas-metal-arc welded HSLA-100 steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Z.; Debroy, T.

1999-06-01

Fluid flow and heat transfer during gas-metal-arc welding (GMAW) of HSLA-100 steel were studied using a transient, three-dimensional, turbulent heat transfer and fluid flow model. The temperature and velocity fields, cooling rates, and shape and size of the fusion and heat-affected zones (HAZs) were calculated. A continuous-cooling-transformation (CCT) diagram was computed to aid in the understanding of the observed weld metal microstructure. The computed results demonstrate that the dissipation of heat and momentum in the weld pool is significantly aided by turbulence,m thus suggesting that previous modeling results based on laminar flow need to be re-examined. A comparison of themore » calculated fusion and HAZ geometries with their corresponding measured values showed good agreement. Furthermore, finger penetration, a unique geometric characteristic of gas-metal-arc weld pools, could be satisfactorily predicted from the model. The ability to predict these geometric variables and the agreement between the calculated and the measured cooling rates indicate the appropriateness of using a turbulence model for accurate calculations. The microstructure of the weld metal consisted mainly of acicular ferrite with small amounts of bainite. At high heat inputs, small amounts of allotriomorphic and Widmanstaetten ferrite were also observed. The observed microstructures are consistent with those expected from the computed CCT diagram and the cooling rates. The results presented here demonstrate significant promise for understanding both macro-and microstructures of steel welds from the combination of the fundamental principles from both transport phenomena and phase transformation theory.« less

Evolution of Microstructure in a Nickel-based Superalloy as a Function of Ageing Time

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Wei-Ren; Smith, Gregory Scott; Porcar, L.

2011-01-01

An experimental investigation, combining synchrotron X-ray powder diffraction, small-angle neutron-scattering, and transmission electron microscopy, has been undertaken to study the microstructure of nanoprecipitates in a nickel-based superalloy. Upon increasing the ageing time during a heat-treatment process, the average size of the precipitates first decreases before changing to a monotonical growth stage. Possible reasons for this observed structural evolution, which is predicted thermodynamically, are suggested.

Prediction and characterization of heat-affected zone formation in tin-bismuth alloys due to nickel-aluminum multilayer foil reaction

DOE PAGES

Hooper, R. J.; Davis, C. G.; Johns, P. M.; ...

2015-06-26

Reactive multilayer foils have the potential to be used as local high intensity heat sources for a variety of applications. In this study, most of the past research effort concerning these materials have focused on understanding the structure-property relationships of the foils that govern the energy released during a reaction. To improve the ability of researchers to more rapidly develop technologies based on reactive multilayer foils, a deeper and more predictive understanding of the relationship between the heat released from the foil and microstructural evolution in the neighboring materials is needed. This work describes the development of a numerical modelmore » for the purpose of predicting heat affected zone size in substrate materials. The model is experimentally validated using a commercially available Ni-Al multilayer foils and alloys from the Sn-Bi binary system. To accomplish this, phenomenological models for predicting the variation of physical properties (i.e., thermal conductivity, density, and heat capacity) with temperature and composition in the Sn-Bi system were utilized using literature data.« less

Towards a metadata scheme for the description of materials - the description of microstructures

NASA Astrophysics Data System (ADS)

Schmitz, Georg J.; Böttger, Bernd; Apel, Markus; Eiken, Janin; Laschet, Gottfried; Altenfeld, Ralph; Berger, Ralf; Boussinot, Guillaume; Viardin, Alexandre

2016-01-01

The property of any material is essentially determined by its microstructure. Numerical models are increasingly the focus of modern engineering as helpful tools for tailoring and optimization of custom-designed microstructures by suitable processing and alloy design. A huge variety of software tools is available to predict various microstructural aspects for different materials. In the general frame of an integrated computational materials engineering (ICME) approach, these microstructure models provide the link between models operating at the atomistic or electronic scales, and models operating on the macroscopic scale of the component and its processing. In view of an improved interoperability of all these different tools it is highly desirable to establish a standardized nomenclature and methodology for the exchange of microstructure data. The scope of this article is to provide a comprehensive system of metadata descriptors for the description of a 3D microstructure. The presented descriptors are limited to a mere geometric description of a static microstructure and have to be complemented by further descriptors, e.g. for properties, numerical representations, kinetic data, and others in the future. Further attributes to each descriptor, e.g. on data origin, data uncertainty, and data validity range are being defined in ongoing work. The proposed descriptors are intended to be independent of any specific numerical representation. The descriptors defined in this article may serve as a first basis for standardization and will simplify the data exchange between different numerical models, as well as promote the integration of experimental data into numerical models of microstructures. An HDF5 template data file for a simple, three phase Al-Cu microstructure being based on the defined descriptors complements this article.

3D Microstructure Effects in Ni-YSZ Anodes: Influence of TPB Lengths on the Electrochemical Performance.

PubMed

Pecho, Omar M; Mai, Andreas; Münch, Beat; Hocker, Thomas; Flatt, Robert J; Holzer, Lorenz

2015-10-21

3D microstructure-performance relationships in Ni-YSZ anodes for electrolyte-supported cells are investigated in terms of the correlation between the triple phase boundary (TPB) length and polarization resistance ( R pol ). Three different Ni-YSZ anodes of varying microstructure are subjected to eight reduction-oxidation (redox) cycles at 950 °C. In general the TPB lengths correlate with anode performance . However, the quantitative results also show that there is no simplistic relationship between TPB and R pol . The degradation mechanism strongly depends on the initial microstructure. Finer microstructures exhibit lower degradation rates of TPB and R pol . In fine microstructures, TPB loss is found to be due to Ni coarsening, while in coarse microstructures reduction of active TPB results mainly from loss of YSZ percolation. The latter is attributed to weak bottlenecks associated with lower sintering activity of the coarse YSZ. The coarse anode suffers from complete loss of YSZ connectivity and associated drop of TPB active by 93%. Surprisingly, this severe microstructure degradation did not lead to electrochemical failure. Mechanistic scenarios are discussed for different anode microstructures. These scenarios are based on a model for coupled charge transfer and transport, which allows using TPB and effective properties as input. The mechanistic scenarios describe the microstructure influence on current distributions, which explains the observed complex relationship between TPB lengths and anode performances. The observed loss of YSZ percolation in the coarse anode is not detrimental because the electrochemical activity is concentrated in a narrow active layer. The anode performance can be predicted reliably if the volume-averaged properties (TPB active , effective ionic conductivity) are corrected for the so-called short-range effect, which is particularly important in cases with a narrow active layer.

Towards a metadata scheme for the description of materials - the description of microstructures.

PubMed

Schmitz, Georg J; Böttger, Bernd; Apel, Markus; Eiken, Janin; Laschet, Gottfried; Altenfeld, Ralph; Berger, Ralf; Boussinot, Guillaume; Viardin, Alexandre

2016-01-01

The property of any material is essentially determined by its microstructure. Numerical models are increasingly the focus of modern engineering as helpful tools for tailoring and optimization of custom-designed microstructures by suitable processing and alloy design. A huge variety of software tools is available to predict various microstructural aspects for different materials. In the general frame of an integrated computational materials engineering (ICME) approach, these microstructure models provide the link between models operating at the atomistic or electronic scales, and models operating on the macroscopic scale of the component and its processing. In view of an improved interoperability of all these different tools it is highly desirable to establish a standardized nomenclature and methodology for the exchange of microstructure data. The scope of this article is to provide a comprehensive system of metadata descriptors for the description of a 3D microstructure. The presented descriptors are limited to a mere geometric description of a static microstructure and have to be complemented by further descriptors, e.g. for properties, numerical representations, kinetic data, and others in the future. Further attributes to each descriptor, e.g. on data origin, data uncertainty, and data validity range are being defined in ongoing work. The proposed descriptors are intended to be independent of any specific numerical representation. The descriptors defined in this article may serve as a first basis for standardization and will simplify the data exchange between different numerical models, as well as promote the integration of experimental data into numerical models of microstructures. An HDF5 template data file for a simple, three phase Al-Cu microstructure being based on the defined descriptors complements this article.

3D Microstructure Effects in Ni-YSZ Anodes: Influence of TPB Lengths on the Electrochemical Performance

PubMed Central

Pecho, Omar M.; Mai, Andreas; Münch, Beat; Hocker, Thomas; Flatt, Robert J.; Holzer, Lorenz

2015-01-01

3D microstructure-performance relationships in Ni-YSZ anodes for electrolyte-supported cells are investigated in terms of the correlation between the triple phase boundary (TPB) length and polarization resistance (Rpol). Three different Ni-YSZ anodes of varying microstructure are subjected to eight reduction-oxidation (redox) cycles at 950 °C. In general the TPB lengths correlate with anode performance. However, the quantitative results also show that there is no simplistic relationship between TPB and Rpol. The degradation mechanism strongly depends on the initial microstructure. Finer microstructures exhibit lower degradation rates of TPB and Rpol. In fine microstructures, TPB loss is found to be due to Ni coarsening, while in coarse microstructures reduction of active TPB results mainly from loss of YSZ percolation. The latter is attributed to weak bottlenecks associated with lower sintering activity of the coarse YSZ. The coarse anode suffers from complete loss of YSZ connectivity and associated drop of TPBactive by 93%. Surprisingly, this severe microstructure degradation did not lead to electrochemical failure. Mechanistic scenarios are discussed for different anode microstructures. These scenarios are based on a model for coupled charge transfer and transport, which allows using TPB and effective properties as input. The mechanistic scenarios describe the microstructure influence on current distributions, which explains the observed complex relationship between TPB lengths and anode performances. The observed loss of YSZ percolation in the coarse anode is not detrimental because the electrochemical activity is concentrated in a narrow active layer. The anode performance can be predicted reliably if the volume-averaged properties (TPBactive, effective ionic conductivity) are corrected for the so-called short-range effect, which is particularly important in cases with a narrow active layer. PMID:28793624

Assessment of hydration process and mechanical properties of cemented paste backfill by electrical resistivity measurement

NASA Astrophysics Data System (ADS)

Xu, Wenbin; Tian, Xichun; Cao, Peiwang

2018-04-01

Cemented paste backfill (CPB) is an emerging mine backfill technique that allows environmentally hazardous tailings to return to the underground openings or stopes, thereby maximising the safety, efficiency and productivity of operation. Uniaxial compressive strength (UCS) is one of the most commonly used parameters for evaluating the mechanical performance of CPB; the prediction of the UCS of CPB structures from early to advanced ages is of great practical importance. This study aims to investigate the predictability of the UCS of CPB during the hydration process based on electrical resistivity (ER) measurement. For this purpose, the samples prepared at different cement-to-tailing ratios and solid contents were subjected to the ER test during the whole hydration process and UCS tests at 3, 7, 28 days of curing periods. The effect of cement-to-tailing ratio and solid content on the ER and UCS of CPB samples was obtained; the UCS values were correlated with the corresponding ER data. Microstructural analysis was also performed on CPB samples to understand the effect of microstructure on the ER data. The result shows that the ER of CPB decreases first and then increases with the speed which is faster in the previous part than the latter. The ER and UCS of CPB samples increased with increasing cement-to-tailing ratio and solid content and curing periods. A logarithmic relationship is established for each mixture in order to predict the UCS of CPB based on ER. Scanning electron microscope analyses have revealed that the microstructure of the CPB changes with the age from the initial floc to honeycomb, and eventually to the compact clumps. The ER properties of CPB samples were highly associated with their respective microstructural properties. The major output of this study is that ER test is effectively capable for a preliminary prediction of the UCS of CPB.

Effects of low-level sarin and cyclosarin exposure on hippocampal microstructure in Gulf War Veterans.

PubMed

Chao, Linda L; Zhang, Yu

2018-05-04

In early March 1991, shortly after the end of the Gulf War (GW), a munitions dump was destroyed at Khamisiyah, Iraq. Later, in 1996, the dump was found to have contained the organophosphorus (OP) nerve agents sarin and cyclosarin. We previously reported evidence of smaller hippocampal volumes in GW veterans with predicted exposure to the Khamisiyah plume compared to unexposed GW veterans. To investigate whether these macroscopic hippocampal volume changes are accompanied by microstructural alterations in the hippocampus, the current study acquired diffusion-tensor imaging (DTI), T1-, and T2-weighted images from 170 GW veterans (mean age: 53 ± 7 years), 81 of whom had predicted exposure to the Khamisiyah plume according to Department of Defense (DOD) plume modeling. We examined fractional anisotropy (FA), mean diffusivity (MD), and grey matter (GM) density from a hippocampal region of interest (ROI). Results indicate that, even after accounting for total hippocampal GM density (or hippocampal volume), age, sex, apolipoprotein ε4 genotype, and potential confounding OP pesticide exposures, hippocampal MD significantly predicted Khamisiyah exposure status (model p = 0.005, R 2  = 0.215, standardized coefficient β = 0.26, t = 2.85). Hippocampal MD was also inversely correlated with verbal memory learning performance in the entire study sample (p = 0.001). There were no differences in hippocampal FA or GM density; however, veterans with predicted Khamisiyah exposure had smaller hippocampal volumes compared to unexposed veterans. Because MD is sensitive to general microstructural disruptions that lead to increased extracellular spaces due to neuronal death, inflammation and gliosis, and/or to axonal loss or demyelination, these findings suggest that low-level exposure to the Khamisiyah plume has a detrimental, lasting effects on both macro- and micro-structure of the hippocampus. Copyright © 2018. Published by Elsevier Inc.

Dielectric Characteristics of Microstructural Changes and Property Evolution in Engineered Materials

NASA Astrophysics Data System (ADS)

Clifford, Jallisa Janet

Heterogeneous materials are increasingly used in a wide range of applications such as aerospace, civil infrastructure, fuel cells and many others. The ability to take properties from two or more materials to create a material with properties engineered to needs is always very attractive. Hence heterogeneous materials are evolving into more complex formulations in multiple disciplines. Design of microstructure at multiple scales control the global functional properties of these materials and their structures. However, local microstructural changes do not directly cause a proportional change to the global properties (such as strength and stiffness). Instead, local changes follow an evolution process including significant interactions. Therefore, in order to understand property evolution of engineered materials, microstructural changes need to be effectively captured. Characterizing these changes and representing them by material variables will enable us to further improve our material level understanding. In this work, we will demonstrate how microstructural features of heterogeneous materials can be described quantitatively using broadband dielectric spectroscopy (BbDS). The frequency dependent dielectric properties can capture the change in material microstructure and represent these changes in terms of material variables, such as complex permittivity. These changes in terms of material properties can then be linked to a number of different conditions, such as increasing damage due to impact or fatigue. Two different broadband dielectric spectroscopy scanning modes are presented: bulk measurements and continuous scanning to measure dielectric property change as a function of position across the specimen. In this study, we will focus on ceramic materials and fiber reinforced polymer matrix composites as test bed material systems. In the first part of the thesis, we will present how different micro-structural design of porous ceramic materials can be captured quantitatively using BbDS. These materials are typically used in solid oxide fuel cells (SOFC). Results show significant effect of microstructural design on material properties at multiple temperatures (up to 800 °C). In the later part of the thesis, we will focus on microstructural changes of fiber reinforced composite materials due to impact and static loading. The changes in dielectric response can then be linked to the bulk mechanical properties of the material and various damage modes. Observing trends in dielectric response enables us to further determine local mechanisms and distribution of properties throughout the damaged specimens. A 3D X-ray microscope and a digital microscope have been used to visualize these changes in material microstructure and validate experimental observations. The increase in damage observed in the material microstructure can then also be linked to the changes in dielectric response. Results show that BbDS is an extremely useful tool for identifying microstructural changes within a heterogeneous material and particularly useful in relating remaining properties. Dielectric material variables can be used directly in property degradation laws and help develop a framework for future predictive modeling methodologies.

Progress In Developing An In-Pile Acoustically Telemetered Sensor Infrastructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, James A.; Garrett, Steven L.; Heibel, Michael D.

2016-09-01

A salient grand challenge for a number of Department of Energy programs such as Fuels Cycle Research and Development ( includes Accident Tolerant Fuel research and the Transient Reactor Test Facility Restart experiments), Light Water Sustainability, and Advanced Reactor Technologies is to enhance our fundamental understanding of fuel and materials behavior under irradiation. Robust and accurate in-pile measurements will be instrumental to develop and validate a computationally predictive multi-scale understanding of nuclear fuel and materials. This sensing technology will enable the linking of fundamental micro-structural evolution mechanisms to the macroscopic degradation of fuels and materials. The in situ sensors andmore » measurement systems will monitor local environmental parameters as well as characterize microstructure evolution during irradiation. One of the major road blocks in developing practical robust, and cost effective in-pile sensor systems, are instrument leads. If a wireless telemetry infrastructure can be developed for in-pile use, in-core measurements would become more attractive and effective. Thus to be successful in accomplishing effective in-pile sensing and microstructure characterization an interdisciplinary measurement infrastructure needs to be developed in parallel with key sensing technology. For the discussion in this research, infrastructure is defined as systems, technology, techniques, and algorithms that may be necessary in the delivery of beneficial and robust data from in-pile devices. The architecture of a system’s infrastructure determines how well it operates and how flexible it is to meet future requirements. The limiting path for the effective deployment of the salient sensing technology will not be the sensors themselves but the infrastructure that is necessary to communicate data from in-pile to the outside world in a non-intrusive and reliable manner. This article gives a high level overview of a promising telemetry infrastructure based on acoustic wireless transmission of data that is being developed and tested by the INL, Penn State and Westinghouse.« less

Data-Driven Mechanistic Modeling of Influence of Microstructure on High-Cycle Fatigue Life of Nickel Titanium

NASA Astrophysics Data System (ADS)

Kafka, Orion L.; Yu, Cheng; Shakoor, Modesar; Liu, Zeliang; Wagner, Gregory J.; Liu, Wing Kam

2018-04-01

A data-driven mechanistic modeling technique is applied to a system representative of a broken-up inclusion ("stringer") within drawn nickel-titanium wire or tube, e.g., as used for arterial stents. The approach uses a decomposition of the problem into a training stage and a prediction stage. It is applied to compute the fatigue crack incubation life of a microstructure of interest under high-cycle fatigue. A parametric study of a matrix-inclusion-void microstructure is conducted. The results indicate that, within the range studied, a larger void between halves of the inclusion increases fatigue life, while larger inclusion diameter reduces fatigue life.

Microstructure representations for sound absorbing fibrous media: 3D and 2D multiscale modelling and experiments

NASA Astrophysics Data System (ADS)

Zieliński, Tomasz G.

2017-11-01

The paper proposes and investigates computationally-efficient microstructure representations for sound absorbing fibrous media. Three-dimensional volume elements involving non-trivial periodic arrangements of straight fibres are examined as well as simple two-dimensional cells. It has been found that a simple 2D quasi-representative cell can provide similar predictions as a volume element which is in general much more geometrically accurate for typical fibrous materials. The multiscale modelling allowed to determine the effective speeds and damping of acoustic waves propagating in such media, which brings up a discussion on the correlation between the speed, penetration range and attenuation of sound waves. Original experiments on manufactured copper-wire samples are presented and the microstructure-based calculations of acoustic absorption are compared with the corresponding experimental results. In fact, the comparison suggested the microstructure modifications leading to representations with non-uniformly distributed fibres.

Multiscale Modeling of PEEK Using Reactive Molecular Dynamics Modeling and Micromechanics

NASA Technical Reports Server (NTRS)

Pisani, William A.; Radue, Matthew; Chinkanjanarot, Sorayot; Bednarcyk, Brett A.; Pineda, Evan J.; King, Julia A.; Odegard, Gregory M.

2018-01-01

Polyether ether ketone (PEEK) is a high-performance, semi-crystalline thermoplastic that is used in a wide range of engineering applications, including some structural components of aircraft. The design of new PEEK-based materials requires a precise understanding of the multiscale structure and behavior of semi-crystalline PEEK. Molecular Dynamics (MD) modeling can efficiently predict bulk-level properties of single phase polymers, and micromechanics can be used to homogenize those phases based on the overall polymer microstructure. In this study, MD modeling was used to predict the mechanical properties of the amorphous and crystalline phases of PEEK. The hierarchical microstructure of PEEK, which combines the aforementioned phases, was modeled using a multiscale modeling approach facilitated by NASA's MSGMC. The bulk mechanical properties of semi-crystalline PEEK predicted using MD modeling and MSGMC agree well with vendor data, thus validating the multiscale modeling approach.

Rockburst Disaster Prediction of Isolated Coal Pillar by Electromagnetic Radiation Based on Frictional Effect

PubMed Central

Zhao, Tongbin; Yin, Yanchun; Xiao, Fukun; Tan, Yunliang; Zou, Jianchao

2014-01-01

Based on the understanding that charges generated during coal cracking are due to coal particle friction, a microstructure model was developed by considering four different variation laws of friction coefficient. Firstly, the frictional energy release of coal sample during uniaxial compressive tests was investigated and discussed. Then electromagnetic radiation method was used to predict the potential rockburst disaster in isolated coal pillar mining face, Muchengjian Colliery. The results indicate that the friction coefficient of coal particles decreases linearly with the increase of axial loading force. In predicting the strain-type rockburst, the high stress state of coal must be closely monitored. Field monitoring shows that electromagnetic radiation signal became abnormal before the occurrence of rockburst during isolated coal pillar mining. Furthermore, rockburst tends to occur at the early and ending stages of isolated coal pillar extraction. Mine-site investigation shows the occurrence zone of rockburst is consistent with the prediction, proving the reliability of the electromagnetic radiation method to predict strain-type rockburst disaster. PMID:25054186

Rockburst disaster prediction of isolated coal pillar by electromagnetic radiation based on frictional effect.

PubMed

Zhao, Tongbin; Yin, Yanchun; Xiao, Fukun; Tan, Yunliang; Zou, Jianchao

2014-01-01

Based on the understanding that charges generated during coal cracking are due to coal particle friction, a microstructure model was developed by considering four different variation laws of friction coefficient. Firstly, the frictional energy release of coal sample during uniaxial compressive tests was investigated and discussed. Then electromagnetic radiation method was used to predict the potential rockburst disaster in isolated coal pillar mining face, Muchengjian Colliery. The results indicate that the friction coefficient of coal particles decreases linearly with the increase of axial loading force. In predicting the strain-type rockburst, the high stress state of coal must be closely monitored. Field monitoring shows that electromagnetic radiation signal became abnormal before the occurrence of rockburst during isolated coal pillar mining. Furthermore, rockburst tends to occur at the early and ending stages of isolated coal pillar extraction. Mine-site investigation shows the occurrence zone of rockburst is consistent with the prediction, proving the reliability of the electromagnetic radiation method to predict strain-type rockburst disaster.

Investigation on temporal evolution of the grain refinement in copper under high strain rate loading via in-situ synchrotron measurement and predictive modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shah, Pooja Nitin; Shin, Yung C.; Sun, Tao

Synchrotron X-rays are integrated with a modified Kolsky tension bar to conduct in situ tracking of the grain refinement mechanism operating during the dynamic deformation of metals. Copper with an initial average grain size of 36 μm is refined to 6.3 μm when loaded at a constant high strain rate of 1200 s -1. The synchrotron measurements revealed the temporal evolution of the grain refinement mechanism in terms of the initiation and rate of refinement throughout the loading test. A multiscale coupled probabilistic cellular automata based recrystallization model has been developed to predict the microstructural evolution occurring during dynamic deformationmore » processes. The model accurately predicts the initiation of the grain refinement mechanism with a predicted final average grain size of 2.4 μm. As a result, the model also accurately predicts the temporal evolution in terms of the initiation and extent of refinement when compared with the experimental results.« less

Investigation on temporal evolution of the grain refinement in copper under high strain rate loading via in-situ synchrotron measurement and predictive modeling

DOE PAGES

Shah, Pooja Nitin; Shin, Yung C.; Sun, Tao

2017-10-03

Synchrotron X-rays are integrated with a modified Kolsky tension bar to conduct in situ tracking of the grain refinement mechanism operating during the dynamic deformation of metals. Copper with an initial average grain size of 36 μm is refined to 6.3 μm when loaded at a constant high strain rate of 1200 s -1. The synchrotron measurements revealed the temporal evolution of the grain refinement mechanism in terms of the initiation and rate of refinement throughout the loading test. A multiscale coupled probabilistic cellular automata based recrystallization model has been developed to predict the microstructural evolution occurring during dynamic deformationmore » processes. The model accurately predicts the initiation of the grain refinement mechanism with a predicted final average grain size of 2.4 μm. As a result, the model also accurately predicts the temporal evolution in terms of the initiation and extent of refinement when compared with the experimental results.« less

Oxygen flux and dielectric response study of Mixed Ionic-Electronic Conducting (MIEC) heterogeneous functional materials

NASA Astrophysics Data System (ADS)

Rabbi, Fazle

Dense mixed ionic-electronic conducting (MIEC) membranes consisting of ionic conductive perovskite-type and/or fluorite-type oxides and high electronic conductive spinel type oxides, at elevated temperature can play a useful role in a number of energy conversion related systems including the solid oxide fuel cell (SOFC), oxygen separation and permeation membranes, partial oxidization membrane reactors for natural gas processing, high temperature electrolysis cells, and others. This study will investigate the impact of different heterogeneous characteristics of dual phase ionic and electronic conductive oxygen separation membranes on their transport mechanisms, in an attempt to develop a foundation for the rational design of such membranes. The dielectric behavior of a material can be an indicator for MIEC performance and can be incorporated into computational models of MIEC membranes in order to optimize the composition, microstructure, and ultimately predict long term membrane performance. The dielectric behavior of the MIECs can also be an indicator of the transport mechanisms and the parameters they are dependent upon. For this study we chose a dual phase MIEC oxygen separation membrane consisting of an ionic conducting phase: gadolinium doped ceria-Ce0.8 Gd0.2O2 (GDC) and an electronic conductive phase: cobalt ferrite-CoFe2O4 (CFO). The membranes were fabricated from mixtures of Nano-powder of each of the phases for different volume percentages, sintered with various temperatures and sintering time to form systematic micro-structural variations, and characterized by structural analysis (XRD), and micro-structural analysis (SEM-EDS). Performance of the membranes was tested for variable partial pressures of oxygen across the membrane at temperatures from 850°C-1060°C using a Gas Chromatography (GC) system. Permeated oxygen did not directly correlate with change in percent mixture. An intermediate mixture 60%GDC-40%CFO had the highest flux compared to the 50%GDC-50%CFO and 80%GDC-20%CFO mixtures. Material characterization suggests the emergence of a third phase contributing to the behavior. Microstructural studies suggested changes in micro-structure of a given volume fraction for different sintering temperature and sintering time. Flux variation was observed for membranes with the same constituent volume fraction but different micro-structure indicating the effects of the micro-structure on the overall oxygen permeation. To correlate the experimental flux measurement with a standard Wagner's flux equation, different microstructural characteristics were studied to incorporate them into a modified Wagner's flux equation. In-situ broadband dielectric spectroscopy measurements over a temperature range of 850°C-1060°C and frequency range of (0.1Hz-1MHz) of the operating 60%GDC-40%CFO mixture oxygen separation membranes were measured using a NOVOCONTROL dielectric spectroscopy test system. Dielectric response of the operating membrane was studied to identify the charge transfer process in the membrane. A computational model to study the dielectric impedance response of different microstructure was developed using a COMSOL(TM) Multiphysics qasi-static electromagnetic module. This model was validated using model materials with regular geometric shapes. To measure impedance of real micro/nano-structures of the membrane material, domains required for the COMSOL calculation were obtained from actual micro/nano structures by using 3D scans from X-ray nano and micro tomography. Simpleware(TM) software was used to generate 3D domains from image slices obtained from the 3D x-ray scans. Initial voltage distributions on the original microstructure were obtained from the computational model. Similarly, development of a primary model for simulating ionic/electronic species flow inside of an MIEC was also begun. The possibility of using broadband dielectric spectroscopy methods to understand and anticipate the flux capabilities of MIECs to reduce the cost and time of development of such material systems was explored.

CASTING DEFECT MODELING IN AN INTEGRATED COMPUTATIONAL MATERIALS ENGINEERING APPROACH

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sabau, Adrian S

2015-01-01

To accelerate the introduction of new cast alloys, the simultaneous modeling and simulation of multiphysical phenomena needs to be considered in the design and optimization of mechanical properties of cast components. The required models related to casting defects, such as microporosity and hot tears, are reviewed. Three aluminum alloys are considered A356, 356 and 319. The data on calculated solidification shrinkage is presented and its effects on microporosity levels discussed. Examples are given for predicting microporosity defects and microstructure distribution for a plate casting. Models to predict fatigue life and yield stress are briefly highlighted here for the sake ofmore » completion and to illustrate how the length scales of the microstructure features as well as porosity defects are taken into account for modeling the mechanical properties. Thus, the data on casting defects, including microstructure features, is crucial for evaluating the final performance-related properties of the component. ACKNOWLEDGEMENTS This work was performed under a Cooperative Research and Development Agreement (CRADA) with the Nemak Inc., and Chrysler Co. for the project "High Performance Cast Aluminum Alloys for Next Generation Passenger Vehicle Engines. The author would also like to thank Amit Shyam for reviewing the paper and Andres Rodriguez of Nemak Inc. Research sponsored by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, as part of the Propulsion Materials Program under contract DE-AC05-00OR22725 with UT-Battelle, LLC. Part of this research was conducted through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program, which is sponsored by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program.« less

An effective medium inversion algorithm for gas hydrate quantification and its application to laboratory and borehole measurements of gas hydrate-bearing sediments

NASA Astrophysics Data System (ADS)

Chand, Shyam; Minshull, Tim A.; Priest, Jeff A.; Best, Angus I.; Clayton, Christopher R. I.; Waite, William F.

2006-08-01

The presence of gas hydrate in marine sediments alters their physical properties. In some circumstances, gas hydrate may cement sediment grains together and dramatically increase the seismic P- and S-wave velocities of the composite medium. Hydrate may also form a load-bearing structure within the sediment microstructure, but with different seismic wave attenuation characteristics, changing the attenuation behaviour of the composite. Here we introduce an inversion algorithm based on effective medium modelling to infer hydrate saturations from velocity and attenuation measurements on hydrate-bearing sediments. The velocity increase is modelled as extra binding developed by gas hydrate that strengthens the sediment microstructure. The attenuation increase is modelled through a difference in fluid flow properties caused by different permeabilities in the sediment and hydrate microstructures. We relate velocity and attenuation increases in hydrate-bearing sediments to their hydrate content, using an effective medium inversion algorithm based on the self-consistent approximation (SCA), differential effective medium (DEM) theory, and Biot and squirt flow mechanisms of fluid flow. The inversion algorithm is able to convert observations in compressional and shear wave velocities and attenuations to hydrate saturation in the sediment pore space. We applied our algorithm to a data set from the Mallik 2L-38 well, Mackenzie delta, Canada, and to data from laboratory measurements on gas-rich and water-saturated sand samples. Predictions using our algorithm match the borehole data and water-saturated laboratory data if the proportion of hydrate contributing to the load-bearing structure increases with hydrate saturation. The predictions match the gas-rich laboratory data if that proportion decreases with hydrate saturation. We attribute this difference to differences in hydrate formation mechanisms between the two environments.

Functionally graded Ti6Al4V and Inconel 625 by Laser Metal Deposition

NASA Astrophysics Data System (ADS)

Pulugurtha, Syamala R.

The objective of the current work was to fabricate a crack-free functionally graded Ti6Al4V and Inconel 625 thin wall structure by Laser Metal Deposition (LMD). One potential application for the current material system is the ability to fabricate a functionally graded alloy that can be used in a space heat exchanger. The two alloys, Inconel 625 and Ti6Al4V are currently used for aerospace applications. They were chosen as candidates for grading because functionally grading those combines the properties of high strength/weight ratio of Ti6Al4V and high temperature oxidation resistance of Inconel 625 into one multifunctional material for the end application. However, there were challenges associated with the presence of Ni-Ti intermetallic phases (IMPs). The study focused on several critical areas such as (1) understanding microstructural evolution, (2) reducing macroscopic cracking, and (3) reducing mixing between graded layers. Finite element analysis (FEA) was performed to understand the effect of process conditions on multilayer claddings for simplified material systems such as SS316L and Inconel 625 where complex microstructures did not form. The thermo-mechanical models were developed using Abaqus(TM) (and some of them experimentally verified) to predict temperature-gradients; remelt layer depths and residual stresses. Microstructure evolution along the functionally graded Ti6Al4V and Inconel 625 was studied under different processing and grading conditions. Thermodynamic modeling using Factsage (v 6.1) was used to construct phase diagrams and predict the possible equilibrium major/minor phases (verified experimentally by XRD) that may be present along the functionally graded Ti6Al4V and Inconel 625 thin wall structures.

An effective medium inversion algorithm for gas hydrate quantification and its application to laboratory and borehole measurements of gas hydrate-bearing sediments

USGS Publications Warehouse

Chand, S.; Minshull, T.A.; Priest, J.A.; Best, A.I.; Clayton, C.R.I.; Waite, W.F.

2006-01-01

The presence of gas hydrate in marine sediments alters their physical properties. In some circumstances, gas hydrate may cement sediment grains together and dramatically increase the seismic P- and S-wave velocities of the composite medium. Hydrate may also form a load-bearing structure within the sediment microstructure, but with different seismic wave attenuation characteristics, changing the attenuation behaviour of the composite. Here we introduce an inversion algorithm based on effective medium modelling to infer hydrate saturations from velocity and attenuation measurements on hydrate-bearing sediments. The velocity increase is modelled as extra binding developed by gas hydrate that strengthens the sediment microstructure. The attenuation increase is modelled through a difference in fluid flow properties caused by different permeabilities in the sediment and hydrate microstructures. We relate velocity and attenuation increases in hydrate-bearing sediments to their hydrate content, using an effective medium inversion algorithm based on the self-consistent approximation (SCA), differential effective medium (DEM) theory, and Biot and squirt flow mechanisms of fluid flow. The inversion algorithm is able to convert observations in compressional and shear wave velocities and attenuations to hydrate saturation in the sediment pore space. We applied our algorithm to a data set from the Mallik 2L–38 well, Mackenzie delta, Canada, and to data from laboratory measurements on gas-rich and water-saturated sand samples. Predictions using our algorithm match the borehole data and water-saturated laboratory data if the proportion of hydrate contributing to the load-bearing structure increases with hydrate saturation. The predictions match the gas-rich laboratory data if that proportion decreases with hydrate saturation. We attribute this difference to differences in hydrate formation mechanisms between the two environments.

Evolution of Local Microstructures: Spatial Instabilities of Coarsening Clusters

NASA Technical Reports Server (NTRS)

Frazier, Donald O.

1999-01-01

This work examines the diffusional growth of discrete phase particles dispersed within a matrix. Engineering materials are microstructurally heterogeneous, and the details of the microstructure determine how well that material performs in a given application. Critical to the development of designing multiphase microstructures with long-term stability is the process of Ostwald ripening. Ripening, or phase coarsening, is a diffusion-limited process which arises in polydisperse multiphase materials. Growth and dissolution occur because fluxes of solute, driven by chemical potential gradients at the interfaces of the dispersed phase material, depend on particle size. The kinetics of these processes are "competitive," dictating that larger particles grow at the expense of smaller ones, overall leading to an increase of the average particle size. The classical treatment of phase coarsening was done by Todes, Lifshitz, and Slyozov, (TLS) in the limit of zero volume fraction, V(sub v), of the dispersed phase. Since the publication of TLS theory there have been numerous investigations, many of which sought to describe the kinetic scaling behavior over a 0 range of volume fractions. Some studies in the literature report that the relative increase in coarsening rate at low (but not zero) volume fractions compared to that predicted by TLS is proportional to v(sub v)(exp 1/2), whereas others suggcest V(sub v)(exp 1/3). This issue has been resolved recently by simulation studies at low volume fractions in three dimensions by members of the Rensselaer/MSFC team. Our studies of ripening behavior using large-scale numerical simulations suggest that although there are different circumstances which can lead to either scaling law, the most important length scale at low volume fractions is the diffusional analog of the Debye screening length. The numerical simulations we employed exploit the use of a recently developed "snapshot" technique, and identifies the nature of the coarsening dynamics at various volume fractions. Preliminary results of numerical and experimental investigations, focused on the growth of finite particle clusters, provide important insight into the nature of the transition between the two scaling regimes. The companion microgravity experiment centers on the growth within finite particle clusters, and follows the temporal dynamics driving microstructural evolution, using holography.

Merging cranial histology and 3D-computational biomechanics: a review of the feeding ecology of a Late Triassic temnospondyl amphibian

PubMed Central

Gruntmejer, Kamil; Marcé-Nogué, Jordi; Bodzioch, Adam; Fortuny, Josep

2018-01-01

Finite Element Analysis (FEA) is a useful method for understanding form and function. However, modelling of fossil taxa invariably involves assumptions as a result of preservation-induced loss of information in the fossil record. To test the validity of predictions from FEA, given such assumptions, these results could be compared to independent lines of evidence for cranial mechanics. In the present study a new concept of using bone microstructure to predict stress distribution in the skull during feeding is put forward and a correlation between bone microstructure and results of computational biomechanics (FEA) is carried out. The bony framework is a product of biological optimisation; bone structure is created to meet local mechanical conditions. To test how well results from FEA correlate to cranial mechanics predicted from bone structure, the well-known temnospondyl Metoposaurus krasiejowensis was used as a model. A crucial issue to Temnospondyli is their feeding mode: did they suction feed or employ direct biting, or both? Metoposaurids have previously been characterised either as active hunters or passive bottom dwellers. In order to test the correlation between results from FEA and bone microstructure, two skulls of Metoposaurus were used, one modelled under FE analyses, while for the second one 17 dermal bone microstructure were analysed. Thus, for the first time, results predicting cranial mechanical behaviour using both methods are merged to understand the feeding strategy of Metoposaurus. Metoposaurus appears to have been an aquatic animal that exhibited a generalist feeding behaviour. This taxon may have used two foraging techniques in hunting; mainly bilateral biting and, to a lesser extent, lateral strikes. However, bone microstructure suggests that lateral biting was more frequent than suggested by Finite Element Analysis (FEA). One of the potential factors that determined its mode of life may have been water levels. During optimum water conditions, metoposaurids may have been more active ambush predators that were capable of lateral strikes of the head. The dry season required a less active mode of life when bilateral biting is particularly efficient. This, combined with their characteristically anteriorly positioned orbits, was optimal for ambush strategy. This ability to use alternative modes of food acquisition, independent of environmental conditions, might hold the key in explaining the very common occurrence of metoposaurids during the Late Triassic. PMID:29503770

Microstructure design for fast oxygen conduction

DOE PAGES

Aidhy, Dilpuneet S.; Weber, William J.

2015-11-11

Research from the last decade has shown that in designing fast oxygen conducting materials for electrochemical applications has largely shifted to microstructural features, in contrast to material-bulk. In particular, understanding oxygen energetics in heterointerface materials is currently at the forefront, where interfacial tensile strain is being considered as the key parameter in lowering oxygen migration barriers. Nanocrystalline materials with high densities of grain boundaries have also gathered interest that could possibly allow leverage over excess volume at grain boundaries, providing fast oxygen diffusion channels similar to those previously observed in metals. In addition, near-interface phase transformations and misfit dislocations aremore » other microstructural phenomenon/features that are being explored to provide faster diffusion. In this review, the current understanding on oxygen energetics, i.e., thermodynamics and kinetics, originating from these microstructural features is discussed. Moreover, our experimental observations, theoretical predictions and novel atomistic mechanisms relevant to oxygen transport are highlighted. In addition, the interaction of dopants with oxygen vacancies in the presence of these new microstructural features, and their future role in the design of future fast-ion conductors, is outlined.« less

Microstructure based model for sound absorption predictions of perforated closed-cell metallic foams.

PubMed

Chevillotte, Fabien; Perrot, Camille; Panneton, Raymond

2010-10-01

Closed-cell metallic foams are known for their rigidity, lightness, thermal conductivity as well as their low production cost compared to open-cell metallic foams. However, they are also poor sound absorbers. Similarly to a rigid solid, a method to enhance their sound absorption is to perforate them. This method has shown good preliminary results but has not yet been analyzed from a microstructure point of view. The objective of this work is to better understand how perforations interact with closed-cell foam microstructure and how it modifies the sound absorption of the foam. A simple two-dimensional microstructural model of the perforated closed-cell metallic foam is presented and numerically solved. A rough three-dimensional conversion of the two-dimensional results is proposed. The results obtained with the calculation method show that the perforated closed-cell foam behaves similarly to a perforated solid; however, its sound absorption is modulated by the foam microstructure, and most particularly by the diameters of both perforation and pore. A comparison with measurements demonstrates that the proposed calculation method yields realistic trends. Some design guides are also proposed.

Microstructural Development in a Laser-Remelted Al-Zn-Si-Mg Coating.

PubMed

Godec, M; Podgornik, B; Nolan, D

2017-11-23

In the last five decades, there has been intense development in the field of Zn-Al galvanic coating modification. Recently, Mg was added to improve corrosion properties. Further improvements to the coating are possible with additional laser surface treatment. In this article, we focus on remelting the Al-Zn-Mg-Si layer, using a diode laser with a wide-beam format, concentrating on the microstructure development during extreme cooling rates. Laser remelting of the Al-Zn-Mg-Si coating and rapid self-quenching produces a finer grain size, and a microstructure that is substantially refined and homogenized with respect to the phase distribution. Using EBSD results, we are able to understand microstructure modification. The laser modified coating has some porosity and intergranular cracking which are difficult to avoid, however this does not seem to be detrimental to mechanical properties, such as ductility on bending. The newly developed technology has a high potential for improved corrosion performance due to highly refined microstructure.

Microstructure-Based Fatigue Life Prediction Methods for Naval Steel Structures

DTIC Science & Technology

1994-09-12

random variable (LRV) model proposed by Yang et al . (10] is useful. This model employs the simplest mathematical model for which the analytical solution...consider the work of Kunio, et al . [7], who found that cracks initiated in prior austenite grain boundaries for the low carbon martensitic steels...investigated. De los Rios, et al . [8], reported about the same result for a 0.4 wt.% C steel of mixed pearlite and ferrite microstructure with the ferrite

Microstructure-Based Fatigue Life Prediction Methods for Naval Steel Structures

DTIC Science & Technology

1993-01-30

approach is to work with the lognormal random variable model proposed by Yang et al . [2], which avoids these difficulties. The simplest form of the...I Al - I I 11. and Ti-alloys [ 10- 111 correlate with the elastic modulus only in the continuum growth regime. On the other hand. compilation of...growth. In fact, Eq. (5) implies that microstructure plays no role in the continuum growth regime. Theoretical models of Frost, et al . [35], and

Micromechanics of plastic deformation and phase transformation in a three-phase TRIP-assisted advanced high strength steel: Experiments and modeling

NASA Astrophysics Data System (ADS)

Srivastava, Ankit; Ghassemi-Armaki, Hassan; Sung, Hyokyung; Chen, Peng; Kumar, Sharvan; Bower, Allan F.

2015-05-01

The micromechanics of plastic deformation and phase transformation in a three-phase advanced high strength steel are analyzed both experimentally and by microstructure-based simulations. The steel examined is a three-phase (ferrite, martensite and retained austenite) quenched and partitioned sheet steel with a tensile strength of 980 MPa. The macroscopic flow behavior and the volume fraction of martensite resulting from the austenite-martensite transformation during deformation were measured. In addition, micropillar compression specimens were extracted from the individual ferrite grains and the martensite particles, and using a flat-punch nanoindenter, stress-strain curves were obtained. Finite element simulations idealize the microstructure as a composite that contains ferrite, martensite and retained austenite. All three phases are discretely modeled using appropriate crystal plasticity based constitutive relations. Material parameters for ferrite and martensite are determined by fitting numerical predictions to the micropillar data. The constitutive relation for retained austenite takes into account contributions to the strain rate from the austenite-martensite transformation, as well as slip in both the untransformed austenite and product martensite. Parameters for the retained austenite are then determined by fitting the predicted flow stress and transformed austenite volume fraction in a 3D microstructure to experimental measurements. Simulations are used to probe the role of the retained austenite in controlling the strain hardening behavior as well as internal stress and strain distributions in the microstructure.

Application and Development of Microstructured Solid-State Neutron Detectors

NASA Astrophysics Data System (ADS)

Weltz, Adam D.

Neutron detectors are useful for a number of applications, including the identification of nuclear weapons, radiation dosimetry, and nuclear reactor monitoring, among others. Microstructured solid-state neutron detectors (SSNDs) developed at RPI have the potential to reinvent a variety of neutron detection systems due to their compact size, zero bias requirement, competitive thermal neutron detection efficiency (up to 29%), low gamma sensitivity (below the PNNL recommendation of 10-6 corresponding to a 10 mR/hr gamma exposure), and scalability to large surface areas with a single preamplifier (<20% loss in relative efficiency from 1 to 16 cm2). These microstructured SSNDs have semiconducting substrate etched with a repeated, three-dimensional microstructure of high aspect ratio holes filled with 10B. MCNP simulations optimized the dimensions of each microstructure geometry for each detector application, improving the overall performance. This thesis outlines the development of multiple, novel neutron detection applications using microstructured SSNDs developed at RPI. The Directional and Spectral Neutron Detection System (DSNDS) is a modular and portable system that uses rings of microstructured SSNDs embedded in polyethylene in order to gather real-time information about the directionality and spectrum of an unidentified neutron source. This system can be used to identify the presence of diverted special nuclear material (SNM), determine its position, and gather spectral information in real-time. The compact and scalable zero-bias SSNDs allow for customization and modularity of the detector array, which provides design flexibility and enhanced portability. Additionally, a real-time personal neutron dosimeter is a wearable device that uses a combination of fast and thermal microstructured SSNDs in order to determine an individual's neutron dose rate. This system demonstrates that neutron detection systems utilizing microstructured SSNDs are applicable for personal neutron dosimetry. The development of these systems using the compact, zero-bias microstructured SSNDs lays the groundwork for a new generation of neutron detection tools, outlines the challenges and design considerations associated with the implementation of these devices, and demonstrates the value that these detectors bring to the future of neutron detection systems.

Progress in Modeling Pu Properties and Aging - ESC Review, March 19-23, 2001

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolfer, W G; Caturla, M; Kubota, A

2001-03-29

An important component of the Pu aging programs both here at LLNL and at LANL is the development of models for the aging processes. These models will, in the foreseeable future, be validated with more and more data from different experiments, and eventually enable us to predict the lifetime of pits. The processes of aging from within the material are mainly caused by the radioactive decay of Pu, and this produces three drivers for changes in properties: (1) Radiation damage in the form of displacements, of defects, of dislocations, and voids. (2) Helium will aggregate in the form of bubblesmore » and cavities. (3) Uranium, Americium, and Neptunium will change the chemical composition and perhaps the phase stability. All the three drivers act synergistically, no doubt. But it is useful to approach the complexity of Pu aging with the strategy of ''first divide, conquer, and then unify''. In this spirit, we have divided the program into three major task areas with individual subtasks to be conquered by various researchers. The subtasks and staffing has changed somewhat from last year, and this is indicated on the viewgraph by underlines. Undoubtedly, it will change in the future, but the objectives of the major tasks and of the entire project will not change until the mission as stated at the beginning will have been accomplished. As you see from the third task, there is a strong emphasis on providing theoretical and computational support for critical, fundamental experiments. Before reviewing the progress made last year for the various tasks, let me briefly state what the physical properties are that we monitor for signs of aging. Prominent is the change in density and microstructure, and its effects on strength and EOS. You will hear little if anything at all about the latter two properties, but work is in progress on these issues, and the review committee will hear about it at the next review. For this review, I want to concentrate on dimensional changes and the underlying changes in microstructure. Once we understand the changes in the microstructure, we can perhaps predict its influence on strength and EOS. It forms the basis for the predictive capability that we want to develop.« less

Shock interactions with heterogeneous energetic materials

NASA Astrophysics Data System (ADS)

Yarrington, Cole D.; Wixom, Ryan R.; Damm, David L.

2018-03-01

The complex physical phenomenon of shock wave interaction with material heterogeneities has significant importance and nevertheless remains little understood. In many materials, the observed macroscale response to shock loading is governed by characteristics of the microstructure. Yet, the majority of computational studies aimed at predicting phenomena affected by these processes, such as the initiation and propagation of detonation waves in explosives or shock propagation in geological materials, employ continuum material and reactive burn model treatment. In an effort to highlight the grain-scale processes that underlie the observable effects in an energetic system, a grain-scale model for hexanitrostilbene (HNS) has been developed. The measured microstructures were used to produce synthetic computational representations of the pore structure, and a density functional theory molecular dynamics derived equation of state (EOS) was used for the fully dense HNS matrix. The explicit inclusion of the microstructure along with a fully dense EOS resulted in close agreement with historical shock compression experiments. More recent experiments on the dynamic reaction threshold were also reproduced by inclusion of a global kinetics model. The complete model was shown to reproduce accurately the expected response of this heterogeneous material to shock loading. Mesoscale simulations were shown to provide a clear insight into the nature of threshold behavior and are a way to understand complex physical phenomena.

Shock interactions with heterogeneous energetic materials

DOE PAGES

Yarrington, Cole D.; Wixom, Ryan R.; Damm, David L.

2018-03-14

The complex physical phenomenon of shock wave interaction with material heterogeneities has significant importance and nevertheless remains little understood. In many materials, the observed macroscale response to shock loading is governed by characteristics of the microstructure. Yet the majority of computational studies aimed at predicting phenomena affected by these processes, such as initiation and propagation of detonation waves in explosives, or shock propagation in geological materials, employ continuum material and reactive burn model treatment. In an effort to highlight the grain-scale processes that underlie the observable effects in an energetic system, a grain-scale model for hexanitrostilbene (HNS) has been developed.more » Measured microstructures were used to produce synthetic computational representations of the pore structure, and a density functional theory molecular dynamics (DFT-MD) derived equation of state (EOS) was used for the fully dense HNS matrix. The explicit inclusion of microstructure along with a fully-dense EOS resulted in close agreement with historical shock compression experiments. More recent experiments on dynamic reaction threshold were also reproduced by inclusion of a global kinetics model. The complete model was shown to reproduce accurately the expected response of this heterogeneous material to shock loading. Mesoscale simulations were shown to provide clear insight into the nature of threshold behavior, and are a way to understand complex physical phenomena.« less

Investigation of Hot Deformation Behavior of Duplex Stainless Steel Grade 2507

NASA Astrophysics Data System (ADS)

Kingklang, Saranya; Uthaisangsuk, Vitoon

2017-01-01

Recently, duplex stainless steels (DSSs) are being increasingly employed in chemical, petro-chemical, nuclear, and energy industries due to the excellent combination of high strength and corrosion resistance. Better understanding of deformation behavior and microstructure evolution of the material under hot working process is significant for achieving desired mechanical properties. In this work, plastic flow curves and microstructure development of the DSS grade 2507 were investigated. Cylindrical specimens were subjected to hot compression tests for different elevated temperatures and strain rates by a deformation dilatometer. It was found that stress-strain responses of the examined steel strongly depended on the forming rate and temperature. The flow stresses increased with higher strain rates and lower temperatures. Subsequently, predictions of the obtained stress-strain curves were done according to the Zener-Hollomon equation. Determination of material parameters for the constitutive model was presented. It was shown that the calculated flow curves agreed well with the experimental results. Additionally, metallographic examinations of hot compressed samples were performed by optical microscope using color tint etching. Area based phase fractions of the existing phases were determined for each forming condition. Hardness of the specimens was measured and discussed with the resulted microstructures. The proposed flow stress model can be used to design and optimize manufacturing process at elevated temperatures for the DSS.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yarrington, Cole D.; Wixom, Ryan R.; Damm, David L.

The complex physical phenomenon of shock wave interaction with material heterogeneities has significant importance and nevertheless remains little understood. In many materials, the observed macroscale response to shock loading is governed by characteristics of the microstructure. Yet the majority of computational studies aimed at predicting phenomena affected by these processes, such as initiation and propagation of detonation waves in explosives, or shock propagation in geological materials, employ continuum material and reactive burn model treatment. In an effort to highlight the grain-scale processes that underlie the observable effects in an energetic system, a grain-scale model for hexanitrostilbene (HNS) has been developed.more » Measured microstructures were used to produce synthetic computational representations of the pore structure, and a density functional theory molecular dynamics (DFT-MD) derived equation of state (EOS) was used for the fully dense HNS matrix. The explicit inclusion of microstructure along with a fully-dense EOS resulted in close agreement with historical shock compression experiments. More recent experiments on dynamic reaction threshold were also reproduced by inclusion of a global kinetics model. The complete model was shown to reproduce accurately the expected response of this heterogeneous material to shock loading. Mesoscale simulations were shown to provide clear insight into the nature of threshold behavior, and are a way to understand complex physical phenomena.« less

Laser inscription of pseudorandom structures for microphotonic diffuser applications.

PubMed

Alqurashi, Tawfiq; Alhosani, Abdulla; Dauleh, Mahmoud; Yetisen, Ali K; Butt, Haider

2018-04-19

Optical diffusers provide a solution for a variety of applications requiring a Gaussian intensity distribution including imaging systems, biomedical optics, and aerospace. Advances in laser ablation processes have allowed the rapid production of efficient optical diffusers. Here, we demonstrate a novel technique to fabricate high-quality glass optical diffusers with cost-efficiency using a continuous CO2 laser. Surface relief pseudorandom microstructures were patterned on both sides of the glass substrates. A numerical simulation of the temperature distribution showed that the CO2 laser drills a 137 μm hole in the glass for every 2 ms of processing time. FFT simulation was utilized to design predictable optical diffusers. The pseudorandom microstructures were characterized by optical microscopy, Raman spectroscopy, and angle-resolved spectroscopy to assess their chemical properties, optical scattering, transmittance, and polarization response. Increasing laser exposure and the number of diffusing surfaces enhanced the diffusion and homogenized the incident light. The recorded speckle pattern showed high contrast with sharp bright spot free diffusion in the far field view range (250 mm). A model of glass surface peeling was also developed to prevent its occurrence during the fabrication process. The demonstrated method provides an economical approach in fabricating optical glass diffusers in a controlled and predictable manner. The produced optical diffusers have application in fibre optics, LED systems, and spotlights.

FIB–SEM tomography of 4th generation PWA 1497 superalloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ziętara, Maciej, E-mail: zietara@agh.edu.pl; Kruk, Adam, E-mail: kruczek@agh.edu.pl; Gruszczyński, Adam, E-mail: gruszcz@agh.edu.pl

2014-01-15

The effect of creep deformation on the microstructure of the PWA 1497 single crystal Ni-base superalloy developed for turbine blade applications was investigated. The aim of the present study was to characterize quantitatively a superalloy microstructure and subsequent development of rafted γ′ precipitates in the PWA 1497 during creep deformation at 982 °C and 248 MPa up to rupture. The PWA1497 microstructure was characterized by scanning electron microscopy and FIB–SEM electron tomography. The 3D reconstruction of the PWA1497 microstructure is presented and discussed. - Highlights: • The microstructure of PWA1497 superalloy was examined using FIB–SEM tomography. • In case ofmore » modern single crystal superalloys, measurements of A{sub A} are adequate for V{sub V}. • During creep the γ channel width increases from 65 to 193 nm for ruptured specimen. • Tomography is a useful technique for quantitative studies of material microstructure.« less

Influence of convection on microstructure

NASA Technical Reports Server (NTRS)

Wilcox, William R.; Regel, Liya L.

1994-01-01

The primary motivation for this research was to determine the cause for space processing altering the microstructure of some eutectics, especially the MnBi-Bi eutectic. Four primary hypotheses were to be tested under this current grant: (1) A fibrous microstructure is much more sensitive to convection than a lamellar microstructure, which was assumed in our prior theoretical treatment. (2) An interface with one phase projecting out into the melt is much more sensitive to convection than a planar interface, which was assumed in our prior theoretical treatment. (3) The Soret effect is much more important in the absence of convection and has a sufficiently large influence on microstructure that its action can explain the flight results. (4) The microstructure is much more sensitive to convection when the composition of the bulk melt is off eutectic. These hypotheses were tested. It was concluded that none of these can explain the Grumman flight results. Experiments also were performed on the influence of current pulses on MnBi-Bi microstructure. A thorough review was made of all experimental results on the influence of convection on the fiber spacing in rod eutectics, including results from solidification in space or at high gravity, and use of mechanical stirring or a magnetic field. Contradictory results were noted. The predictions of models for convective influences were compared with the experimental results. Vigorous mechanical stirring appears to coarsen the microstructure by altering the concentration field in front of the freezing interface. Gentle convection is believed to alter the microstructure of a fibrous eutectic only when it causes a fluctuating freezing rate with a system for which the kinetics of fiber branching differs from that for fiber termination. These fluctuations may cause the microstructure to coarsen or to become finer, depending on the relative kinetics of these processes. The microstructure of lamellar eutectics is less sensitive to freezing rate fluctuations and to gentle convection.

High-Fidelity Micromechanics Model Developed for the Response of Multiphase Materials

NASA Technical Reports Server (NTRS)

Aboudi, Jacob; Pindera, Marek-Jerzy; Arnold, Steven M.

2002-01-01

A new high-fidelity micromechanics model has been developed under funding from the NASA Glenn Research Center for predicting the response of multiphase materials with arbitrary periodic microstructures. The model's analytical framework is based on the homogenization technique, but the method of solution for the local displacement and stress fields borrows concepts previously employed in constructing the higher order theory for functionally graded materials. The resulting closed-form macroscopic and microscopic constitutive equations, valid for both uniaxial and multiaxial loading of periodic materials with elastic and inelastic constitutive phases, can be incorporated into a structural analysis computer code. Consequently, this model now provides an alternative, accurate method.

Dynamic Simulation of Three Dimensional Architectural and Mechanical Alterations in Human Trabecular Bone during Menopause

PubMed Central

Liu, X. Sherry; Huang, Angela H.; Zhang, X. Henry; Sajda, Paul; Ji, Baohua; Guo, X. Edward

2008-01-01

A three dimensional (3D) computational simulation of dynamic process of trabecular bone remodeling was developed with all the parameters derived from physiological and clinical data. Contributions of the microstructural bone formation deficits: trabecular plate perforations, trabecular rod breakages, and isolated bone fragments, to the rapid bone loss and disruption of trabecular microarchitecture during menopause were studied. Eighteen human trabecular bone samples from femoral neck (FN) and spine were scanned using a micro computed tomography (μCT) system. Bone resorption and formation were simulated as a computational cycle corresponding to 40-day resorption/160-day formation. Resorption cavities were randomly created over the bone surface according to the activation frequency, which was strictly based on clinical data. Every resorption cavity was refilled during formation unless it caused trabecular plate perforation, trabecular rod breakage or isolated fragments. A 20-year-period starting 5 years before and ending 15 years after menopause was simulated for each specimen. Elastic moduli, standard and individual trabeculae segmentation (ITS)-based morphological parameters were evaluated for each simulated 3D image. For both spine and FN groups, the time courses of predicted bone loss pattern by microstructural bone formation deficits were fairly consistent with the clinical measurements. The percentage of bone loss due to trabecular plate perforation, trabecular rod breakage, and isolated bone fragments were 73.2%, 18.9% and 7.9% at the simulated 15 years after menopause. The ITS-based plate fraction (pBV/BV), mean plate surface area (pTb.S), plate number density (pTb.N), and mean rod thickness (rTb.Th) decreased while rod fraction (rBV/BV) and rod number density (rTb.N) increased after the simulated menopause. The dynamic bone remodeling simulation based on microstructural bone formation deficits predicted the time course of menopausal bone loss pattern of spine and FN. Microstructural plate perforation could be the primary cause of menopausal trabecular bone loss. The combined effect of trabeculae perforation, breakage, and isolated fragments resulted in fewer and smaller trabecular plates and more but thinner trabecular rods. PMID:18550463

Microstructure of Tablet-Pharmaceutical Significance, Assessment, and Engineering.

PubMed

Sun, Changquan Calvin

2017-05-01

To summarize the microstructure - property relationship of pharmaceutical tablets and approaches to improve tablet properties through tablet microstructure engineering. The main topics reviewed here include: 1) influence of material properties and manufacturing process parameters on the evolution of tablet microstructure; 2) impact of tablet structure on tablet properties; 3) assessment of tablet microstructure; 4) development and engineering of tablet microstructure. Microstructure plays a decisive role on important pharmaceutical properties of a tablet, such as disintegration, drug release, and mechanical strength. Useful information on mechanical properties of a powder can be obtained from analyzing tablet porosity-pressure data. When helium pycnometry fails to accurately measure true density of a water-containing powder, non-linear regression of tablet density-pressure data is a useful alternative method. A component that is more uniformly distributed in a tablet generally exerts more influence on the overall tablet properties. During formulation development, it is highly recommended to examine the relationship between any property of interest and tablet porosity when possible. Tablet microstructure can be engineered by judicious selection of formulation composition, including the use of the optimum solid form of the drug and appropriate type and amount of excipients, and controlling manufacturing process.

Right Fronto-Subcortical White Matter Microstructure Predicts Cognitive Control Ability on the Go/No-go Task in a Community Sample.

PubMed

Hinton, Kendra E; Lahey, Benjamin B; Villalta-Gil, Victoria; Boyd, Brian D; Yvernault, Benjamin C; Werts, Katherine B; Plassard, Andrew J; Applegate, Brooks; Woodward, Neil D; Landman, Bennett A; Zald, David H

2018-01-01

Go/no-go tasks are widely used to index cognitive control. This construct has been linked to white matter microstructure in a circuit connecting the right inferior frontal gyrus (IFG), subthalamic nucleus (STN), and pre-supplementary motor area. However, the specificity of this association has not been tested. A general factor of white matter has been identified that is related to processing speed. Given the strong processing speed component in successful performance on the go/no-go task, this general factor could contribute to task performance, but the general factor has often not been accounted for in past studies of cognitive control. Further, studies on cognitive control have generally employed small unrepresentative case-control designs. The present study examined the relationship between go/no-go performance and white matter microstructure in a large community sample of 378 subjects that included participants with a range of both clinical and subclinical nonpsychotic psychopathology. We found that white matter microstructure properties in the right IFG-STN tract significantly predicted task performance, and remained significant after controlling for dimensional psychopathology. The general factor of white matter only reached statistical significance when controlling for dimensional psychopathology. Although the IFG-STN and general factor tracts were highly correlated, when both were included in the model, only the IFG-STN remained a significant predictor of performance. Overall, these findings suggest that while a general factor of white matter can be identified in a young community sample, white matter microstructure properties in the right IFG-STN tract show a specific relationship to cognitive control. The findings highlight the importance of examining both specific and general correlates of cognition, especially in tasks with a speeded component.

Effect of the microstructure on the lifetime of dental ceramics.

PubMed

Borba, Márcia; de Araújo, Maico D; Fukushima, Karen A; Yoshimura, Humberto N; Cesar, Paulo F; Griggs, Jason A; Della Bona, Alvaro

2011-07-01

To evaluate the effect of the microstructure on the Weibull and slow crack growth (SCG) parameters and on the lifetime of three ceramics used as framework materials for fixed partial dentures (FPDs) (YZ - Vita In-Ceram YZ; IZ - Vita In-Ceram Zirconia; AL - Vita In-Ceram AL) and of two veneering porcelains (VM7 and VM9). Bar-shaped specimens were fabricated according to the manufacturer's instructions. Specimens were tested in three-point flexure in 37°C artificial saliva. Weibull analysis (n=30) and a constant stress-rate test (n=10) were used to determine the Weibull modulus (m) and SCG coefficient (n), respectively. Microstructural and fractographic analyzes were performed using SEM. ANOVA and Tukey's test (α=0.05) were used to statistically analyze data obtained with both microstructural and fractographic analyzes. YZ and AL presented high crystalline content and low porosity (0.1-0.2%). YZ had the highest characteristic strength (σ(0)) value (911MPa) followed by AL (488MPa) and IZ (423MPa). Lower σ(0) values were observed for the porcelains (68-75MPa). Except for IZ and VM7, m values were similar among the ceramic materials. Higher n values were found for YZ (76) and AL (72), followed by IZ (54) and the veneering materials (36-44). Lifetime predictions showed that YZ was the material with the best mechanical performance. The size of the critical flaw was similar among the framework materials (34-48μm) and among the porcelains (75-86μm). The microstructure influenced the mechanical and SCG behavior of the studied materials and, consequently, the lifetime predictions. Copyright © 2011 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Mechanical characterization of collagen-glycosaminoglycan scaffolds.

PubMed

Harley, Brendan A; Leung, Janet H; Silva, Emilio C C M; Gibson, Lorna J

2007-07-01

Tissue engineering scaffolds are used extensively as three-dimensional analogs of the extracellular matrix (ECM). However, less attention has been paid to characterizing the scaffold microstructure and mechanical properties than to the processing and bioactivity of scaffolds. Collagen-glycosaminoglycan (CG) scaffolds have long been utilized as ECM analogs for the regeneration of skin and are currently being considered for the regeneration of nerve and conjunctiva. Recently a series of CG scaffolds with a uniform pore microstructure has been developed with a range of sizes of equiaxed pores. Experimental characterization and theoretical modeling techniques have previously been used to describe the pore microstructure, specific surface area, cell attachment and permeability of these variants. The results of tensile and compressive tests on these CG scaffolds and of bending tests on the individual struts that define the scaffold network are reported here. The CG scaffold variants exhibited stress-strain behavior characteristic of low-density, open-cell foams with distinct linear elastic, collapse plateau and densification regimes. Scaffolds with equiaxed pores were found to be mechanically isotropic. The independent effects of hydration level, pore size, crosslink density and relative density on the mechanical properties was determined. Independent control over scaffold stiffness and pore size was obtained. Good agreement was observed between experimental results of scaffold mechanical characterization and low-density, open-cell foam model predictions for uniform scaffolds. The characterized scaffold variants provide a standardized framework with defined extracellular environments (microstructure, mechanics) for in vitro studies of the mechanical interactions between cells and scaffolds as well as in vivo tissue engineering studies.

Observations of Fabric Development in Polycrystalline Ice at Basal Pressures: Methods and Initial Results

NASA Astrophysics Data System (ADS)

Breton, D. J.; Baker, I.; Cole, D. M.

2012-12-01

Understanding and predicting the flow of polycrystalline ice is crucial to ice sheet modeling and paleoclimate reconstruction from ice cores. Ice flow rates depend strongly on the fabric (i.e. the distribution of grain sizes and crystallographic orientations) which evolves over time and enhances the flow rate in the direction of applied stress. The mechanisms for fabric evolution in ice have been extensively studied at atmospheric pressures, but little work has been done to observe these processes at the high pressures experienced deep within ice sheets where long-term changes in ice rheology are expected to have significance. We conducted compressive creep tests on a 917 kg m-3 polycrystalline ice specimen at 20 MPa hydrostatic pressure, thus simulating ~2,000 m depth. Initial specimen grain orientations were random, typical grain diameters were 1.2 mm, and the applied creep stress was 0.3 MPa. Subsequent microstructural analyses on the deformed specimen and a similarly prepared, undeformed specimen allowed characterization of crystal fabric evolution under pressure. Our microstructural analysis technique simultaneously collected grain shape and size data from Scanning Electron Microscope (SEM) micrographs and obtained crystallographic orientation data via Electron BackScatter Diffraction (EBSD). Combining these measurements allows rapid analysis of the ice fabric over large numbers of grains, yielding statistically useful numbers of grain size and full c- and a-axis grain orientation data. The combined creep and microstructural data demonstrate pressure-dependent effects on the mechanical and microstructural evolution of polycrystalline ice. We discuss possible mechanisms for the observed phenomena, and future directions for hydrostatic creep testing.

Containerless processing of undercooled melts

NASA Technical Reports Server (NTRS)

Perepezko, J. H.

1993-01-01

The investigation focused on the control of microstructural evolution in Mn-Al, Fe-Ni, Ni-V, and Au-Pb-Sb alloys through the high undercooling levels provided by containerless processing, and provided fundamental new information on the control of nucleation. Solidification analysis was conducted by means of thermal analysis, x-ray diffraction, and metallographic characterization on samples processed in a laboratory scale drop tube system. The Mn-Al alloy system offers a useful model system with the capability of phase separation on an individual particle basis, thus permitting a more complete understanding of the operative kinetics and the key containerless processing variables. This system provided the opportunity of analyzing the nucleation rate as a function of processing conditions and allowed for the quantitative assessment of the relevant processing parameters. These factors are essential in the development of a containerless processing model which has a predictive capability. Similarly, Ni-V is a model system that was used to study duplex partitionless solidification, which is a structure possible only in high under cooling solidification processes. Nucleation kinetics for the competing bcc and fcc phases were studied to determine how this structure can develop and the conditions under which it may occur. The Fe-Ni alloy system was studied to identify microstructural transitions with controlled variations in sample size and composition during containerless solidification. This work was forwarded to develop a microstructure map which delineates regimes of structural evolution and provides a unified analysis of experimental observations. The Au-Pb-Sb system was investigated to characterize the thermodynamic properties of the undercooled liquid phase and to characterize the glass transition under a variety of processing conditions. By analyzing key containerless processing parameters in a ground based drop tube study, a carefully designed flight experiment may be planned to utilize the extended duration microgravity conditions of orbiting spacecraft.

Bonding and Microstructural Stability in Ni55Ti45 Studied by Experimental and Theoretical Methods

NASA Technical Reports Server (NTRS)

Stott, Amanda C.; Brauer, Jonathan I.; Garg, Anita; Pepper, Stephen V.; Abel, Phillip B.; DellaCorte, Christopher; Noebe, Ronald D.; Glennon, Glenn; Bylaska, Eric; Dixon, David A.

2010-01-01

Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.

Studying microstructure and microstructural changes in plant tissues by advanced diffusion magnetic resonance imaging techniques

PubMed Central

Morozov, Darya; Tal, Iris; Pisanty, Odelia; Shani, Eilon

2017-01-01

Abstract As sessile organisms, plants must respond to the environment by adjusting their growth and development. Most of the plant body is formed post-embryonically by continuous activity of apical and lateral meristems. The development of lateral adventitious roots is a complex process, and therefore the development of methods that can visualize, non-invasively, the plant microstructure and organ initiation that occur during growth and development is of paramount importance. In this study, relaxation-based and advanced diffusion magnetic resonance imaging (MRI) methods including diffusion tensor (DTI), q-space diffusion imaging (QSI), and double-pulsed-field-gradient (d-PFG) MRI, at 14.1 T, were used to characterize the hypocotyl microstructure and the microstructural changes that occurred during the development of lateral adventitious roots in tomato. Better contrast was observed in relaxation-based MRI using higher in-plane resolution but this also resulted in a significant reduction in the signal-to-noise ratio of the T2-weighted MR images. Diffusion MRI revealed that water diffusion is highly anisotropic in the vascular cylinder. QSI and d-PGSE MRI showed that in the vascular cylinder some of the cells have sizes in the range of 6–10 μm. The MR images captured cell reorganization during adventitious root formation in the periphery of the primary vascular bundles, adjacent to the xylem pole that broke through the cortex and epidermis layers. This study demonstrates that MRI and diffusion MRI methods allow the non-invasive study of microstructural features of plants, and enable microstructural changes associated with adventitious root formation to be followed. PMID:28398563

The Effect of Heat Input and Composition on Weld Metal Microstructures in Thin Section HY-130 GMAW(Gas Metal Are Welding) Weldments

DTIC Science & Technology

1988-12-01

weldments, Glover et al. [Ref. Ej show, via a schematic CCT diagram , that austenite should transform to coarse polygonal ferrite with regions of pearlite...are essentially subjected to continuous cooling during solidification, so the resultant microstructures should be predictable from CCT diagrams . Unfortunately...cooling rate variaticn just within a single weld pass. Although individual CCT diagrams for weld metals are generally not available, the influence of

OPTICAL FIBRES AND FIBREOPTIC SENSORS: Spun microstructured optical fibresfor Faraday effect current sensors

NASA Astrophysics Data System (ADS)

Chamorovsky, Yury K.; Starostin, Nikolay I.; Morshnev, Sergey K.; Gubin, Vladimir P.; Ryabko, Maksim V.; Sazonov, Aleksandr I.; Vorob'ev, Igor'L.

2009-11-01

We report a simple design of spun holey fibres and the first experimental study of the magneto-optical response of spun microstructured fibres with high built-in birefringence. Such fibres enable the Faraday-effect-induced phase shift to effectively accumulate in a magnetic field even at very small coiling diameters. For example, the magneto-optical sensitivity of a 5-mm-diameter fibre coil consisting of 100 turns is ~70% that of an ideal fibre, in good agreement with theoretical predictions.

A quick method for AlCu interconnect electromigration performance predicting and monitoring

NASA Astrophysics Data System (ADS)

Zhang, Wenjie; Yi, Leeward; Tao, Kai; Ma, Yue; Chang, Pingyi; Mao, Duli; Wu, Jin; Zou, S. C.

2006-05-01

The film properties and microstructures of (bottom)Si/SiO2/Ti(top) and (bottom)Si/SiO2/Ti/TiN/AlCu(top) stacks deposited by different processes were characterized. The resistivities of thin Ti films and the reflectivities of AlCu alloy films were found to correlate with the microstructure as well as the mean time to failure (MTTF) in the electromigration (EM) test. A quick-turn monitor for AlCu interconnect reliability in the semiconductor manufacturing industry was established.

Research Symposium II

NASA Technical Reports Server (NTRS)

2004-01-01

Contents include the following: High power density motors. The training process of the organization development and training office. Modeling and analysis of a regenerative fuel cell propulsion system for a high altitude long endurance. Increasing the thermal stability of aluminum titanate for solid oxide mJEL cell anodes. Microstructural evaluation of forging parameters for superalloy disks. Epoxy adgesives for stator magnet assembly in stirling radioisotope generator. Nickel-Hydrogen and lithium ion space batteries. Statistical and prediction modeling of the Ka band using experimental results from ACTS propagation terminals at 20.185 and 27.505 GHz.

A New Thermodynamic Parameter to Predict Formation of Solid Solution or Intermetallic Phases in High Entropy Alloys (Postprint)

DTIC Science & Technology

2015-11-02

George , Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys, Acta Mater. 61 (2013) 2628e2638. [4] B... Cantor , I.T.H. Chang, P. Knight, A.J.B. Vincent, Microstructural development in equiatomic multicomponent alloys, Mater. Sci. Eng. A 375e377 (2004...an Al0.5CoCrCuFeNi high entropy alloy, In- termetallics 31 (2012) 165e172. [24] Z. Wu, H. Bei, F. Otto, G.M. Pharr, E.P. George , Recovery

Effect of microstructural damage on ply stresses in laminated composites

NASA Technical Reports Server (NTRS)

Allen, D. H.; Nottorf, E. W.; Harris, C. E.

1988-01-01

The mechanisms involved in damage and failure of laminated orthotropic composites are investigated theoretically. The continuum model developed accounts for both matrix cracks and interply delamination using second-order tensor-valued internal-state variables based on the locally averaged microcrack dynamics. The derivation of the model is given in detail, and numerical results for sample problems are presented in extensive graphs and tables. The model is shown to be effective in predicting stresses at the ply level, and significant damage-induced decreases in laminate stress states are found.

Supercritical CO2 drying of poly(methyl methacrylate) photoresist for deep x-ray lithography: a brief note

NASA Astrophysics Data System (ADS)

Shukla, Rahul; Abhinandan, Lala; Sharma, Shivdutt

2017-07-01

Poly(methyl methacrylate) (PMMA) is an extensively used positive photoresist for deep x-ray lithography. The post-development release of the microstructures of PMMA becomes very critical for high aspect ratio fragile and freestanding microstructures. Release of high aspect ratio comb-drive microstructure of PMMA made by one-step x-ray lithography (OXL) is studied. The effect of low-surface tension Isopropyl alcohol (IPA) over water is investigated for release of the high aspect ratio microstructures using conventional and supercritical (SC) CO2 drying. The results of conventional drying are also compared for the samples released or dried in both in-house developed and commercial SC CO2 dryer. It is found that in all cases the microstructures of PMMA are permanently deformed and damaged while using SC CO2 for drying. For free-standing high aspect ratio microstructures of PMMA made by OXL, it is advised to use low-surface tension IPA over DI water. However, this brings a limitation on the design of the microstructure.

A process model for the heat-affected zone microstructure evolution in duplex stainless steel weldments: Part II. Application to electron beam welding

NASA Astrophysics Data System (ADS)

Hemmer, H.; Grong, Ø.; Klokkehaug, S.

2000-03-01

In the present investigation, a process model for electron beam (EB) welding of different grades of duplex stainless steels (i.e. SAF 2205 and 2507) has been developed. A number of attractive features are built into the original finite element code, including (1) a separate module for prediction of the penetration depth and distribution of the heat source into the plate, (2) adaptive refinement of the three-dimensional (3-D) element mesh for quick and reliable solution of the differential heat flow equation, and (3) special subroutines for calculation of the heat-affected zone (HAZ) microstructure evolution. The process model has been validated by comparison with experimental data obtained from in situ thermocouple measurements and optical microscope examinations. Subsequently, its aptness to alloy design and optimization of welding conditions for duplex stainless steels is illustrated in different numerical examples and case studies pertaining to EB welding of tubular joints.

Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

PubMed

Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

2017-04-01

This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

Influence of Pressure Field in Melts on the Primary Nucleation in Solidification Processing

NASA Astrophysics Data System (ADS)

Rakita, Milan; Han, Qingyou

2017-10-01

It is well known that external fields applied to melts can cause nucleation at lower supercoolings, fragmentation of growing dendrites, and forced convection around the solidification front. All these effects contribute to a finer microstructure of solidified material. In this article, we analyze how the pressure field created with ultrasonic vibrations influences structure refinement in terms of supercooling. It is shown that only high cavitation pressures of the order of 104 atmospheres are capable of nucleating crystals at minimal supercoolings. We demonstrate the possibility of sononucleation even in superheated liquid. Simulation and experiments with water samples show that very high cavitation pressures occur in a relatively narrow zone where the drive acoustic field has an appropriate combination of pressure amplitude and frequency. In order to accurately predict the microstructure formed by ultrasonically assisted solidification of metals, this article calls for the development of equations of state that would describe the pressure-dependent behavior of molten metals.

Microstructural development from interdiffusion and reaction between Usbnd Mo and AA6061 alloys annealed at 600° and 550 °C

NASA Astrophysics Data System (ADS)

Perez, E.; Keiser, D. D.; Sohn, Y. H.

2016-08-01

The U.S. Material Management and Minimization Reactor Conversion Program is developing low enrichment fuel systems encased in Al-alloy for use in research and test reactors. Monolithic fuel plates have local regions where the Usbnd Mo fuel plate may come into contact with the Al-alloy 6061 (AA6061) cladding. This results in the development of interdiffusion zones with complex microstructures with multiple phases. In this study, the microstructural development of diffusion couples, Usbnd 7 wt%Mo, Usbnd 10 wt%Mo, and Usbnd 12 wt%Mo vs. AA6061, annealed at 600 °C for 24 h and at 550 °C for 1, 5, and 20 h, were analyzed by scanning electron microscopy with x-ray energy dispersive spectroscopy. The microstructural development and kinetics were compared to diffusion couples Usbnd Mo vs. high purity Al and binary Alsbnd Si alloys. The diffusion couples developed complex interaction regions where phase development was influenced by the alloying additions of the AA6061.

General predictive model of friction behavior regimes for metal contacts based on the formation stability and evolution of nanocrystalline surface films.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Argibay, Nicolas; Cheng, Shengfeng; Sawyer, W. G.

2015-09-01

The prediction of macro-scale friction and wear behavior based on first principles and material properties has remained an elusive but highly desirable target for tribologists and material scientists alike. Stochastic processes (e.g. wear), statistically described parameters (e.g. surface topography) and their evolution tend to defeat attempts to establish practical general correlations between fundamental nanoscale processes and macro-scale behaviors. We present a model based on microstructural stability and evolution for the prediction of metal friction regimes, founded on recently established microstructural deformation mechanisms of nanocrystalline metals, that relies exclusively on material properties and contact stress models. We show through complementary experimentalmore » and simulation results that this model overcomes longstanding practical challenges and successfully makes accurate and consistent predictions of friction transitions for a wide range of contact conditions. This framework not only challenges the assumptions of conventional causal relationships between hardness and friction, and between friction and wear, but also suggests a pathway for the design of higher performance metal alloys.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmed, A.; Chadwick, T.; Makhlouf, M.

This paper deals with the effects of various solidification variables such as cooling rate, temperature gradient, solidification rate, etc. on the microstructure and shrinkage defects in aluminum alloy (A356) castings. The effects are first predicted using commercial solidification modeling softwares and then verified experimentally. For this work, the authors are considering a rectangular bar cast in a sand mold. Simulation is performed using SIMULOR, a finite volume based casting simulation program. Microstructural variables such as dendritic arm spacing (DAS) and defects (percentage porosity) are calculated from the temperature fields, cooling rate, solidification time, etc. predicted by the computer softwares. Themore » same variables are then calculated experimentally in the foundry. The test piece is cast in a resin (Sodium Silicate) bonded sand mold and the DAS and porosity variables are calculated using Scanning Electron Microscopy and Image Analysis. The predictions from the software are compared with the experimental results. The results are presented and critically analyzed to determine the quality of the predicted results. The usefulness of the commercial solidification modeling softwares as a tool for the foundry are also discussed.« less

Friction Stir Welding in Wrought and Cast Aluminum Alloys: Heat Transfer Modeling and Thermal History Analysis

NASA Astrophysics Data System (ADS)

Pan, Yi; Lados, Diana A.

2017-02-01

Friction stir welding (FSW) is a technique that can be used for materials joining and local microstructural refinement. Owing to the solid-state character of the process, FSW has significant advantages over traditional fusion welding, including reduced part distortion and overheating. In this study, a novel heat transfer model was developed to predict weld temperature distributions and quantify peak temperatures under various combinations of processing parameters for different wrought and cast Al alloys. Specifically, an analytical analysis was first developed to characterize and predict heat generation rate within the weld nugget, and then a two-dimensional (2D) numerical simulation was performed to evaluate the temperature distribution in the weld cross-section and top-view planes. A further three-dimensional (3D) simulation was developed based on the heat generation analysis. The model was validated by measuring actual temperatures near the weld nugget using thermocouples, and good agreement was obtained for all studied materials and conditions.

Modeling and Characterization of Damage Processes in Metallic Materials

NASA Technical Reports Server (NTRS)

Glaessgen, E. H.; Saether, E.; Smith, S. W.; Hochhalter, J. D.; Yamakov, V. I.; Gupta, V.

2011-01-01

This paper describes a broad effort that is aimed at understanding the fundamental mechanisms of crack growth and using that understanding as a basis for designing materials and enabling predictions of fracture in materials and structures that have small characteristic dimensions. This area of research, herein referred to as Damage Science, emphasizes the length scale regimes of the nanoscale and the microscale for which analysis and characterization tools are being developed to predict the formation, propagation, and interaction of fundamental damage mechanisms. Examination of nanoscale processes requires atomistic and discrete dislocation plasticity simulations, while microscale processes can be examined using strain gradient plasticity, crystal plasticity and microstructure modeling methods. Concurrent and sequential multiscale modeling methods are being developed to analytically bridge between these length scales. Experimental methods for characterization and quantification of near-crack tip damage are also being developed. This paper focuses on several new methodologies in these areas and their application to understanding damage processes in polycrystalline metals. On-going and potential applications are also discussed.

Prediction of Temperatures of Austenite Equilibrium Transformations in Steels During Thermomechanical Processing

NASA Astrophysics Data System (ADS)

Samadian, Pedram; Parsa, Mohammad Habibi; Ahmadabadi, M. Nili; Mirzadeh, Hamed

2014-10-01

Knowledge about the transformation temperatures is crucial in processing of steels especially in thermomechanical processes because microstructures and mechanical properties after processing are closely related to the extent and type of transformations. The experimental determination of critical temperatures is costly, and therefore, it is preferred to predict them by mathematical methods. In the current work, new thermodynamically based models were developed for computing the Ae3 and Acm temperatures in the equilibrium cooling conditions when austenite is deformed at elevated temperatures. The main advantage of the proposed models is their capability to predict the temperatures of austenite equilibrium transformations in steels with total alloying elements (Mn + Si + Ni + Cr + Mo + Cu) less than 5 wt.% and Si less than 1 wt.% under the deformation conditions just by using the chemical potential of constituents, without the need for determining the total Gibbs free energy of steel which requires many experiments and computations.

Microstructure design of low alloy transformation-induced plasticity assisted steels

NASA Astrophysics Data System (ADS)

Zhu, Ruixian

The microstructure of low alloy Transformation Induced Plasticity (TRIP) assisted steels has been systematically varied through the combination of computational and experimental methodologies in order to enhance the mechanical performance and to fulfill the requirement of the next generation Advanced High Strength Steels (AHSS). The roles of microstructural parameters, such as phase constitutions, phase stability, and volume fractions on the strength-ductility combination have been revealed. Two model alloy compositions (i.e. Fe-1.5Mn-1.5Si-0.3C, and Fe-3Mn-1Si-0.3C in wt%, nominal composition) were studied. Multiphase microstructures including ferrite, bainite, retained austenite and martensite were obtained through conventional two step heat treatment (i.e. intercritical annealing-IA, and bainitic isothermal transformation-BIT). The effect of phase constitution on the mechanical properties was first characterized experimentally via systematically varying the volume fractions of these phases through computational thermodynamics. It was found that martensite was the main phase to deteriorate ductility, meanwhile the C/VA ratio (i.e. carbon content over the volume fraction of austenite) could be another indicator for the ductility of the multiphase microstructure. Following the microstructural characterization of the multiphase alloys, two microstructural design criteria (i.e. maximizing ferrite and austenite, suppressing athermal martensite) were proposed in order to optimize the corresponding mechanical performance. The volume fraction of ferrite was maximized during the IA with the help of computational thermodyanmics. On the other hand, it turned out theoretically that the martensite suppression could not be avoided on the low Mn contained alloy (i.e. Fe- 1.5Mn-1.5Si-0.3C). Nevertheless, the achieved combination of strength (~1300MPa true strength) and ductility (˜23% uniform elongation) on the low Mn alloy following the proposed design criteria fulfilled the requirement of the next generation AHSS. To further optimize the microstructure such that the designed criteria can be fully satisfied, further efforts have been made on two aspects: heat treatment and alloy addition. A multi-step BIT treatment was designed and successfully reduced the martensite content on the Fe-1.5Mn-1.5Si-0.3C alloy. Microstructure analysis showed a significant reduction on the volume fraction of martensite after the multi-step BIT as compared to the single BIT step. It was also found that, a slow cooling rate between the two BIT treatments resulted in a better combination of strength and ductility than rapid cooling or conventional one step BIT. Moreover, the athermal martensite formation can be fully suppressed by increasing the Mn content (Fe-3Mn-1Si-0.3C) and through carefully designed heat treatments. The athermal martensite-free alloy provided consistently better ductility than the martensite containing alloy. Finally, a microstructure based semi-empirical constitutive model has been developed to predict the monotonic tensile behavior of the multiphase TRIP assisted steels. The stress rule of mixture and isowork assumption for individual phases was presumed. Mecking-Kocks model was utilized to simulate the flow behavior of ferrite, bainitic ferrite and untransformed retained austenite. The kinetics of strain induced martensitic transformation was modeled following the Olson-Cohen method. The developed model has results in good agreements with the experimental results for both TRIP steels studied with same model parameters.

Mechanistic Prediction of the Effect of Microstructural Coarsening on Creep Response of SnAgCu Solder Joints

NASA Astrophysics Data System (ADS)

Mukherjee, S.; Chauhan, P.; Osterman, M.; Dasgupta, A.; Pecht, M.

2016-07-01

Mechanistic microstructural models have been developed to capture the effect of isothermal aging on time dependent viscoplastic response of Sn3.0Ag0.5Cu (SAC305) solders. SnAgCu (SAC) solders undergo continuous microstructural coarsening during both storage and service because of their high homologous temperature. The microstructures of these low melting point alloys continuously evolve during service. This results in evolution of creep properties of the joint over time, thereby influencing the long term reliability of microelectronic packages. It is well documented that isothermal aging degrades the creep resistance of SAC solder. SAC305 alloy is aged for (24-1000) h at (25-100)°C (~0.6-0.8 × T melt). Cross-sectioning and image processing techniques were used to periodically quantify the effect of isothermal aging on phase coarsening and evolution. The parameters monitored during isothermal aging include size, area fraction, and inter-particle spacing of nanoscale Ag3Sn intermetallic compounds (IMCs) and the volume fraction of micronscale Cu6Sn5 IMCs, as well as the area fraction of pure tin dendrites. Effects of microstructural evolution on secondary creep constitutive response of SAC305 solder joints were then modeled using a mechanistic multiscale creep model. The mechanistic phenomena modeled include: (1) dispersion strengthening by coarsened nanoscale Ag3Sn IMCs in the eutectic phase; and (2) load sharing between pro-eutectic Sn dendrites and the surrounding coarsened eutectic Sn-Ag phase and microscale Cu6Sn5 IMCs. The coarse-grained polycrystalline Sn microstructure in SAC305 solder was not captured in the above model because isothermal aging does not cause any significant change in the initial grain size and orientation of SAC305 solder joints. The above mechanistic model can successfully capture the drop in creep resistance due to the influence of isothermal aging on SAC305 single crystals. Contribution of grain boundary sliding to the creep strain of coarse grained joints has not been modeled in this study.

Microstructure and Mechanical Properties of Extruded Gamma Microstructure Met PX

NASA Technical Reports Server (NTRS)

Draper, S. L.; Das, G.; Locci, J.; Whittenberger, J. D.; Lerch, B. A.; Kestler, H.

2003-01-01

A gamma TiAl alloy with a high Nb content is being assessed as a compressor blade material. The microstructure and mechanical properties of extruded Ti-45Al-X(Nb,B,C) (at.%) were evaluated in both an as-extruded condition and after a lamellar heat treatment. Tensile behavior of both as-extruded and lamellar heat treated specimens was studied in the temperature range of RT to 926 C. In general, the yield stress and ultimate tensile strength reached relatively high values at room temperature and decreased with increasing deformation temperature. The fatigue strength of both microstructures was characterized at 650 C and compared to a baseline TiAl alloy and to a Ni-base superalloy. Tensile and fatigue specimens were also exposed to 800 C for 200 h in air to evaluate the alloy's environmental resistance. A decrease in ductility was observed at room temperature due to the 800 C. exposure but the 650 C fatigue properties were unaffected. Compressive and tensile creep testing between 727 and 1027 C revealed that the creep deformation was reproducible and predictable. Creep strengths reached superalloy-like levels at fast strain rates and lower temperatures but deformation at slower strain rates and/or higher temperature indicated significant weakening for the as-extruded condition. At high temperatures and low stresses, the lamellar microstructure had improved creep properties when compared to the as-extruded material. Microstructural evolution during heat treatment, identification of various phases, and the effect of microstructure on the tensile, fatigue, and creep behaviors is discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stormont, John; Lampe, Brandon; Mills, Melissa

The goal of this project is to improve the understanding of key aspects of the coupled thermal-mechanical-hydrologic response of granular (or crushed) salt used as a seal material for shafts, drifts, and boreholes in mined repositories in salt. The project is organized into three tasks to accomplish this goal: laboratory measurements of granular salt consolidation (Task 1), microstructural observations on consolidated samples (Task 2), and constitutive model development and evaluation (Task 3). Task 1 involves laboratory measurements of salt consolidation along with thermal properties and permeability measurements conducted under a range of temperatures and stresses expected for potential mined repositoriesmore » in salt. Testing focused on the role of moisture, temperature and stress state on the hydrologic (permeability) and thermal properties of consolidating granular salt at high fractional densities. Task 2 consists of microstructural observations made on samples after they have been consolidated to interpret deformation mechanisms and evaluate the ability of the constitutive model to predict operative mechanisms under different conditions. Task 3 concerns the development of the coupled thermal-mechanical-hydrologic constitutive model for granular salt consolidation. The measurements and observations in Tasks 1 and 2 were used to develop a thermal-mechanical constitutive model. Accomplishments and status from each of these efforts is reported in subsequent sections of this report« less

Longitudinal development of thalamic and internal capsule microstructure in autism spectrum disorder.

PubMed

McLaughlin, Kristine; Travers, Brittany G; Dadalko, Olga I; Dean, Douglas C; Tromp, Do; Adluru, Nagesh; Destiche, Daniel; Freeman, Abigail; Prigge, Molly D; Froehlich, Alyson; Duffield, Tyler C; Zielinski, Brandon A; Bigler, Erin D; Lange, Nicholas; Anderson, Jeff S; Alexander, Andrew L; Lainhart, Janet E

2018-03-01

The thalamus is a key sensorimotor relay area that is implicated in autism spectrum disorder (ASD). However, it is unknown how the thalamus and white-matter structures that contain thalamo-cortical fiber connections (e.g., the internal capsule) develop from childhood into adulthood and whether this microstructure relates to basic motor challenges in ASD. We used diffusion weighted imaging in a cohort-sequential design to assess longitudinal development of the thalamus, and posterior- and anterior-limbs of the internal capsule (PLIC and ALIC, respectively) in 89 males with ASD and 56 males with typical development (3-41 years; all verbal). Our results showed that the group with ASD exhibited different developmental trajectories of microstructure in all regions, demonstrating childhood group differences that appeared to approach and, in some cases, surpass the typically developing group in adolescence and adulthood. The PLIC (but not ALIC nor thalamus) mediated the relation between age and finger-tapping speed in both groups. Yet, the gap in finger-tapping speed appeared to widen at the same time that the between-group gap in the PLIC appeared to narrow. Overall, these results suggest that childhood group differences in microstructure of the thalamus and PLIC become less robust in adolescence and adulthood. Further, finger-tapping speed appears to be mediated by the PLIC in both groups, but group differences in motor speed that widen during adolescence and adulthood suggest that factors beyond the microstructure of the thalamus and internal capsule may contribute to atypical motor profiles in ASD. Autism Res 2018, 11: 450-462. © 2017 International Society for Autism Research, Wiley Periodicals, Inc. Microstructure of the thalamus, a key sensory and motor brain area, appears to develop differently in individuals with autism spectrum disorder (ASD). Microstructure is important because it informs us of the density and organization of different brain tissues. During childhood, thalamic microstructure was distinct in the ASD group compared to the typically developing group. However, these group differences appeared to narrow with age, suggesting that the thalamus continues to dynamically change in ASD into adulthood. © 2017 International Society for Autism Research, Wiley Periodicals, Inc.

Corrosion-induced microstructural developments in 316 stainless steel during exposure to molten Li 2BeF 4(FLiBe) salt

DOE PAGES

Zheng, Guiqiu; He, Lingfeng; Carpenter, David; ...

2016-10-12

The microstructural evaluation and characterization of 316 stainless steel samples that were tested in molten Li 2BeF 4 (FLiBe) salt were investigated in this study for evaluating its performance in high-temperature molten fluoride salts. Recently, 316 stainless steel and FLiBe salt are being actively considered as the main structural alloy and primary coolant of fluoride salt-cooled high-temperature reactor (FHR), a leading nuclear reactor concept for the next generation nuclear plants (NGNP). In support of the materials development for the FHR, high-temperature corrosion tests of 316 stainless steel in molten FLiBe salt at 700°C have been conducted in both bare graphitemore » crucibles and 316 stainless steel-lined crucibles in an inert atmosphere for up to 3000 hours. The microstructure of the tested samples was comprehensively characterized using scanning electron microscopy (SEM) in conjunction with energy dispersive x-ray spectroscopy (EDS) and electron backscatter diffraction (EBSD), and scanning transmission electron microscopy (STEM) with EDS. In addition to the noticeable intergranular corrosion attack on surface, the corrosion in terms of the Cr depletion along high angle grain boundaries (15-180º) extended to 22µm in depth after 3000-hour exposure to molten FLiBe salt in graphite crucible. The coherent Σ3 grain boundary appeared high resistance to the Cr depletion. The substantial Cr depletion from the near-to-surface layer induced phase transformation from γ-martensite to α-ferrite phase (FeNi x) during corrosion at 700ºC. Furthermore, the presence of graphite in the molten salt doubled the corrosion attack depth and led to the formation of round Mo2C, hexagonal Cr 7C 3 and needle-like Al 4C 3 phase within the alloy as deep as 50 µm after 3000-hour corrosion testing. Based on the microstructural analysis, the corrosion mechanisms of 316 stainless steel in molten FLiBe salt in different corrosion crucibles were illuminated through schematic diagrams. Additionally, a thermal diffusion controlled corrosion model was developed and validated by experimental data for predicting the long-term corrosion attack depth.« less

Sex differences in associations between white matter microstructure and gonadal hormones in children and adolescents with prenatal alcohol exposure.

PubMed

Uban, K A; Herting, M M; Wozniak, J R; Sowell, E R

2017-09-01

Despite accumulating evidence from animal models demonstrating that prenatal alcohol exposure (PAE) results in life-long neuroendocrine dysregulation, very little is known on this topic among humans with fetal alcohol spectrum disorders (FASD). We expected that alterations in gonadal hormones might interfere with the typical development of white matter (WM) myelination, and in a sex-dependent manner, in human adolescents with FASD. In order to investigate this hypothesis, we used diffusion tensor imaging (DTI) to assess: 1) whether or not sex moderates the impact of PAE on WM microstructure; and 2) how gonadal hormones relate to alterations in WM microstructure in children and adolescents affected by PAE. 61 youth (9 to 16 yrs.; 49% girls; 50% PAE) participated as part of the Collaborative Initiative on Fetal Alcohol Spectrum Disorders (CIFASD). DTI scans and passive drool samples were obtained to examine neurodevelopmental associations with testosterone (T) and dehydroepiandrosterone (DHEA) levels in boys and girls, and estradiol (E2) and progesterone (P) levels in girls. Tract-based spatial statistics were utilized to generate fractional anisotropy (FA) and mean diffusivity (MD) for 9 a priori WM regions of interest (ROIs). As predicted, alterations in FA were observed in adolescents with PAE relative to controls, and these differences varied by sex. Girls with PAE exhibited lower FA (Inferior fronto-occipital and Uncinate fasciculi) while boys with PAE exhibited higher FA (Callosal body, Cingulum, Corticospinal tract, Optic radiation, Superior longitudinal fasciculus) relative to age-matched controls. When gonadal hormone levels were examined in relation to DTI measures, additional group differences in FA were revealed, demonstrating that neuroendocrine factors are associated with PAE-related brain alterations. These findings provide human evidence that PAE relates to sex-specific differences in WM microstructure, and underlying alterations in gonadal hormone function may, in part, contribute to these effects. Determining PAE-effects on neuroendocrine function among humans is an essential first step towards developing novel clinical (e.g., assessment or intervention) tools that target hormone systems to improve on-going brain development among children and adolescents with FASD. Copyright © 2017 Elsevier Ltd. All rights reserved.

Corrosion-induced microstructural developments in 316 stainless steel during exposure to molten Li 2BeF 4(FLiBe) salt

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Guiqiu; He, Lingfeng; Carpenter, David

The microstructural evaluation and characterization of 316 stainless steel samples that were tested in molten Li 2BeF 4 (FLiBe) salt were investigated in this study for evaluating its performance in high-temperature molten fluoride salts. Recently, 316 stainless steel and FLiBe salt are being actively considered as the main structural alloy and primary coolant of fluoride salt-cooled high-temperature reactor (FHR), a leading nuclear reactor concept for the next generation nuclear plants (NGNP). In support of the materials development for the FHR, high-temperature corrosion tests of 316 stainless steel in molten FLiBe salt at 700°C have been conducted in both bare graphitemore » crucibles and 316 stainless steel-lined crucibles in an inert atmosphere for up to 3000 hours. The microstructure of the tested samples was comprehensively characterized using scanning electron microscopy (SEM) in conjunction with energy dispersive x-ray spectroscopy (EDS) and electron backscatter diffraction (EBSD), and scanning transmission electron microscopy (STEM) with EDS. In addition to the noticeable intergranular corrosion attack on surface, the corrosion in terms of the Cr depletion along high angle grain boundaries (15-180º) extended to 22µm in depth after 3000-hour exposure to molten FLiBe salt in graphite crucible. The coherent Σ3 grain boundary appeared high resistance to the Cr depletion. The substantial Cr depletion from the near-to-surface layer induced phase transformation from γ-martensite to α-ferrite phase (FeNi x) during corrosion at 700ºC. Furthermore, the presence of graphite in the molten salt doubled the corrosion attack depth and led to the formation of round Mo2C, hexagonal Cr 7C 3 and needle-like Al 4C 3 phase within the alloy as deep as 50 µm after 3000-hour corrosion testing. Based on the microstructural analysis, the corrosion mechanisms of 316 stainless steel in molten FLiBe salt in different corrosion crucibles were illuminated through schematic diagrams. Additionally, a thermal diffusion controlled corrosion model was developed and validated by experimental data for predicting the long-term corrosion attack depth.« less

A model for the progressive failure of laminated composite structural components

NASA Technical Reports Server (NTRS)

Allen, D. H.; Lo, D. C.

1991-01-01

Laminated continuous fiber polymeric composites are capable of sustaining substantial load induced microstructural damage prior to component failure. Because this damage eventually leads to catastrophic failure, it is essential to capture the mechanics of progressive damage in any cogent life prediction model. For the past several years the authors have been developing one solution approach to this problem. In this approach the mechanics of matrix cracking and delamination are accounted for via locally averaged internal variables which account for the kinematics of microcracking. Damage progression is predicted by using phenomenologically based damage evolution laws which depend on the load history. The result is a nonlinear and path dependent constitutive model which has previously been implemented to a finite element computer code for analysis of structural components. Using an appropriate failure model, this algorithm can be used to predict component life. In this paper the model will be utilized to demonstrate the ability to predict the load path dependence of the damage and stresses in plates subjected to fatigue loading.

Neural connections foster social connections: a diffusion-weighted imaging study of social networks

PubMed Central

Hampton, William H.; Unger, Ashley; Von Der Heide, Rebecca J.

2016-01-01

Although we know the transition from childhood to adulthood is marked by important social and neural development, little is known about how social network size might affect neurocognitive development or vice versa. Neuroimaging research has identified several brain regions, such as the amygdala, as key to this affiliative behavior. However, white matter connectivity among these regions, and its behavioral correlates, remain unclear. Here we tested two hypotheses: that an amygdalocentric structural white matter network governs social affiliative behavior and that this network changes during adolescence and young adulthood. We measured social network size behaviorally, and white matter microstructure using probabilistic diffusion tensor imaging in a sample of neurologically normal adolescents and young adults. Our results suggest amygdala white matter microstructure is key to understanding individual differences in social network size, with connectivity to other social brain regions such as the orbitofrontal cortex and anterior temporal lobe predicting much variation. In addition, participant age correlated with both network size and white matter variation in this network. These findings suggest the transition to adulthood may constitute a critical period for the optimization of structural brain networks underlying affiliative behavior. PMID:26755769

Statistical Optimization of Reactive Plasma Cladding to Synthesize a WC-Reinforced Fe-Based Alloy Coating

NASA Astrophysics Data System (ADS)

Wang, Miqi; Zhou, Zehua; Wu, Lintao; Ding, Ying; Xu, Feilong; Wang, Zehua

2018-04-01

A new compound Fe-W-C powder for reactive plasma cladding was fabricated by precursor carbonization process using sucrose as a precursor. The application of quadratic general rotary unitized design was highlighted to develop a mathematical model to predict and accomplish the desired surface hardness of plasma-cladded coating. The microstructure and microhardness of the coating with optimal parameters were also investigated. According to the developed empirical model, the optimal process parameters were determined as follows: 1.4 for C/W atomic ratio, 20 wt.% for W content, 130 A for scanning current and 100 mm/min (1.67 mm/s) for scanning rate. The confidence level of the model was 99% according to the results of the F-test and lack-of-fit test. Microstructural study showed that the dendritic structure was comprised of a mechanical mixture of α-Fe and carbides, while the interdendritic structure was a eutectic of α-Fe and carbides in the composite coating with optimal parameters. WC phase generation can be confirmed from the XRD pattern. Due to good preparation parameters, the average microhardness of cladded coating can reach 1120 HV0.1, which was four times the substrate microhardness.

Characterization of beryllium deformation using in-situ x-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magnuson, Eric Alan; Brown, Donald William; Clausen, Bjorn

2015-08-24

Beryllium’s unique mechanical properties are extremely important in a number of high performance applications. Consequently, accurate models for the mechanical behavior of beryllium are required. However, current models are not sufficiently microstructure aware to accurately predict the performance of beryllium under a range of processing and loading conditions. Previous experiments conducted using the SMARTS and HIPPO instruments at the Lujan Center(LANL), have studied the relationship between strain rate and texture development, but due to the limitations of neutron diffraction studies, it was not possible to measure the response of the material in real-time. In-situ diffraction experiments conducted at the Advancedmore » Photon Source have allowed the real time measurement of the mechanical response of compressed beryllium. Samples of pre-strained beryllium were reloaded orthogonal to their original load path to show the reorientation of already twinned grains. Additionally, the in-situ experiments allowed the real time tracking of twin evolution in beryllium strained at high rates. The data gathered during these experiments will be used in the development and validation of a new, microstructure aware model of the constitutive behavior of beryllium.« less

Microstructure and Mechanical Properties of 21-6-9 Stainless Steel Electron Beam Welds

NASA Astrophysics Data System (ADS)

Elmer, John W.; Ellsworth, G. Fred; Florando, Jeffrey N.; Golosker, Ilya V.; Mulay, Rupalee P.

2017-04-01

Welds can either be stronger or weaker than the base metals that they join depending on the microstructures that form in the fusion and heat-affected zones of the weld. In this paper, weld strengthening in the fusion zone of annealed 21-6-9 stainless steel is investigated using cross-weld tensile samples, hardness testing, and microstructural characterization. Due to the stronger nature of the weld, the cross-weld tensile tests failed in the base metal and were not able to generate true fusion zone mechanical properties. Nanoindentation with a spherical indenter was instead used to predict the tensile behavior for the weld metal. Extrapolation of the nanoindentation results to higher strains was performed using the Steinberg-Guinan and Johnson-Cook strength models, and the results can be used for weld strength modeling purposes. The results illustrate how microstructural refinement and residual ferrite formation in the weld fusion zone can be an effective strengthener for 21-6-9 stainless steel.

Understanding the Microstructure and Macrostructure of Passages Among Chinese Elementary School Children.

PubMed

Lo, Lap-Yan; Ho, Connie Suk-Han; Wong, Yau-Kai; Chan, David Wai-Ock; Chung, Kevin Kien-Hoa

2016-12-01

Understanding the microstructure and macrostructure of passages is important for reading comprehension. What cognitive-linguistic skills may contribute to understanding these two levels of structures has rarely been investigated. The present study examined whether some word-level and text-level cognitive-linguistic skills may contribute differently to the understanding of microstructure and macrostructure respectively. Seventy-nine Chinese elementary school children were tested on some cognitive-linguistic skills and literacy skills. It was found that word reading fluency and syntactic skills predicted significantly the understanding of microstructure of passages after controlling for age and IQ; while morphological awareness, syntactic skills, and discourse skills contributed significantly to understanding of macrostructure. These findings suggest that syntactic skills facilitate children's access of meaning from grammatical structures, which is a fundamental process in gaining text meaning at any level of reading comprehension. Discourse skills also allow readers to understand the cohesive interlinks within and between sentences and is important for a macro level of passage understanding.

Influence of long-term thermal aging on the microstructural evolution of nuclear reactor pressure vessel materials: An atom probe study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pareige, P.; Russell, K.F.; Stoller, R.E.

1998-03-01

Atom probe field ion microscopy (APFIM) investigations of the microstructure of unaged (as-fabricated) and long-term thermally aged ({approximately} 100,000 h at 280 C) surveillance materials from commercial reactor pressure vessel steels were performed. This combination of materials and conditions permitted the investigation of potential thermal-aging effects. This microstructural study focused on the quantification of the compositions of the matrix and carbides. The APFIM results indicate that there was no significant microstructural evolution after a long-term thermal exposure in weld, plate, or forging materials. The matrix depletion of copper that was observed in weld materials was consistent with the copper concentrationmore » in the matrix after the stress-relief heat treatment. The compositions of cementite carbides aged for 100,000 h were compared with the Thermocalc{trademark} prediction. The APFIM comparisons of materials under these conditions are consistent with the measured change in mechanical properties such as the Charpy transition temperature.« less

Stable Eutectoid Transformation in Nodular Cast Iron: Modeling and Validation

NASA Astrophysics Data System (ADS)

Carazo, Fernando D.; Dardati, Patricia M.; Celentano, Diego J.; Godoy, Luis A.

2017-01-01

This paper presents a new microstructural model of the stable eutectoid transformation in a spheroidal cast iron. The model takes into account the nucleation and growth of ferrite grains and the growth of graphite spheroids. Different laws are assumed for the growth of both phases during and below the intercritical stable eutectoid. At a microstructural level, the initial conditions for the phase transformations are obtained from the microstructural simulation of solidification of the material, which considers the divorced eutectic and the subsequent growth of graphite spheroids up to the initiation of the stable eutectoid transformation. The temperature field is obtained by solving the energy equation by means of finite elements. The microstructural (phase change) and macrostructural (energy balance) models are coupled by a sequential multiscale procedure. Experimental validation of the model is achieved by comparison with measured values of fractions and radius of 2D view of ferrite grains. Agreement with such experiments indicates that the present model is capable of predicting ferrite phase fraction and grain size with reasonable accuracy.

Deformation-resembling microstructure created by fluid-mediated dissolution-precipitation reactions.

PubMed

Spruzeniece, Liene; Piazolo, Sandra; Maynard-Casely, Helen E

2017-01-27

Deformation microstructures are widely used for reconstructing tectono-metamorphic events recorded in rocks. In crustal settings deformation is often accompanied and/or succeeded by fluid infiltration and dissolution-precipitation reactions. However, the microstructural consequences of dissolution-precipitation in minerals have not been investigated experimentally. Here we conducted experiments where KBr crystals were reacted with a saturated KCl-H 2 O fluid. The results show that reaction products, formed in the absence of deformation, inherit the general crystallographic orientation from their parents, but also display a development of new microstructures that are typical in deformed minerals, such as apparent bending of crystal lattices and new subgrain domains, separated by low-angle and, in some cases, high-angle boundaries. Our work suggests that fluid-mediated dissolution-precipitation reactions can lead to a development of potentially misleading microstructures. We propose a set of criteria that may help in distinguishing such microstructures from the ones that are created by crystal-plastic deformation.

Effect of microstructure and surface features on wetting angle of a Fe-3.2 wt%C.E. cast iron with water

NASA Astrophysics Data System (ADS)

Riahi, Samira; Niroumand, Behzad; Dorri Moghadam, Afsaneh; Rohatgi, Pradeep K.

2018-05-01

In the present study, variation in surface wetting behavior of a hypoeutectic cast iron with its microstructural features and surface roughness was investigated. Samples with an identical composition, i.e. Fe-3.2 wt%C.E., and different microstructures (a gray cast iron with A-type flake graphite and a white cast iron) were fabricated by gravity casting of molten cast iron in a chill mold at different cooling rates. A variation of surface roughness was also developed by polishing, a four-stage electroetching and a four-stage mechanical abrading on the samples. Roughness and water contact angles of all surfaces were then measured. The surface roughness factor and the solid fraction in contact with water by the Wenzel and Cassie-Baxter contact models were also calculated and compared with the corresponding measured contact angles to find out which regime was active. Results indicated that the surface microstructure and the type of constituents present at the surface influenced the cast iron surface wettability and that it was possible to change the surface contact angle by modification of the surface microstructure. The mechanically abraded gray cast iron followed the Wenzel-type regime while the electroetched surfaces of gray cast iron exhibited a transition from Wenzel to Cassie-Baxter type regime. In white cast iron, the results indicated Wenzel type behavior in the electroetched samples while for the mechanically abraded samples, none of these two models could predict the wetting behavior. Furthermore, the wetting angles of both gray and white cast irons were measured after 1, 2, 3 and 4 weeks of air exposure. The results showed that the wetting angles of both samples increased to above 90° after one week of air exposure which was likely due to adsorption of low surface energy hydrocarbons on the surfaces.

Microstructure based simulations for prediction of flow curves and selection of process parameters for inter-critical annealing in DP steel

NASA Astrophysics Data System (ADS)

Deepu, M. J.; Farivar, H.; Prahl, U.; Phanikumar, G.

2017-04-01

Dual phase steels are versatile advanced high strength steels that are being used for sheet metal applications in automotive industry. It also has the potential for application in bulk components like gear. The inter-critical annealing in dual phase steels is one of the crucial steps that determine the mechanical properties of the material. Selection of the process parameters for inter-critical annealing, in particular, the inter-critical annealing temperature and time is important as it plays a major role in determining the volume fractions of ferrite and martensite, which in turn determines the mechanical properties. Selection of these process parameters to obtain a particular required mechanical property requires large number of experimental trials. Simulation of microstructure evolution and virtual compression/tensile testing can help in reducing the number of such experimental trials. In the present work, phase field modeling implemented in the commercial software Micress® is used to predict the microstructure evolution during inter-critical annealing. Virtual compression tests are performed on the simulated microstructure using finite element method implemented in the commercial software, to obtain the effective flow curve of the macroscopic material. The flow curves obtained by simulation are experimentally validated with physical simulation in Gleeble® and compared with that obtained using linear rule of mixture. The methodology could be used in determining the inter-critical annealing process parameters required for achieving a particular flow curve.

Assessment of MARMOT Grain Growth Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fromm, B.; Zhang, Y.; Schwen, D.

2015-12-01

This report assesses the MARMOT grain growth model by comparing modeling predictions with experimental results from thermal annealing. The purpose here is threefold: (1) to demonstrate the validation approach of using thermal annealing experiments with non-destructive characterization, (2) to test the reconstruction capability and computation efficiency in MOOSE, and (3) to validate the grain growth model and the associated parameters that are implemented in MARMOT for UO 2. To assure a rigorous comparison, the 2D and 3D initial experimental microstructures of UO 2 samples were characterized using non-destructive Synchrotron x-ray. The same samples were then annealed at 2273K for grainmore » growth, and their initial microstructures were used as initial conditions for simulated annealing at the same temperature using MARMOT. After annealing, the final experimental microstructures were characterized again to compare with the results from simulations. So far, comparison between modeling and experiments has been done for 2D microstructures, and 3D comparison is underway. The preliminary results demonstrated the usefulness of the non-destructive characterization method for MARMOT grain growth model validation. A detailed analysis of the 3D microstructures is in progress to fully validate the current model in MARMOT.« less

Flow/Damage Surfaces for Fiber-Reinforced Metals Having Different Periodic Microstructures

NASA Technical Reports Server (NTRS)

Lissenden, Cliff J.; Arnold, Steven M.; Iyer, Saiganesh K.

1998-01-01

Flow/damage surfaces can be defined in terms of stress, inelastic strain rate, and internal variables using a thermodynamics framework. A macroscale definition relevant to thermodynamics and usable in an experimental program is employed to map out surfaces of constant inelastic power in various stress planes. The inelastic flow of a model silicon carbide/ titanium composite system having rectangular, hexagonal, and square diagonal fiber packing arrays subjected to biaxial stresses is quantified by flow/damage surfaces that are determined numerically from micromechanics, using both finite element analysis and the generalized method of cells. Residual stresses from processing are explicitly included and damage in the form of fiber-matrix debonding under transverse tensile and/or shear loading is represented by a simple interface model. The influence of microstructural architecture is largest whenever fiber-matrix debonding is not an issue; for example in the presence of transverse compressive stresses. Additionally, as the fiber volume fraction increases, so does the effect of microstructural architecture. With regard to the micromechanics analysis, the overall inelastic flow predicted by the generalized method of cells is in excellent agreement with that predicted using a large number of displacement-based finite elements.

Flow/Damage Surfaces for Fiber-Reinforced Metals having Different Periodic Microstructures

NASA Technical Reports Server (NTRS)

Lissenden, Cliff J.; Arnold, Steven M.; Iyer, Saiganesh K.

1998-01-01

Flow/damage surfaces can be defined in terms of stress, inelastic strain rate, and internal variables using a thermodynamics framework. A macroscale definition relevant to thermodynamics and usable in an experimental program is employed to map out surfaces of constant inelastic power in various stress planes. The inelastic flow of a model silicon carbide/ titanium composite system having rectangular, hexagonal, and square diagonal fiber packing, arrays subjected to biaxial stresses is quantified by flow/damage surfaces that are determined numerically from micromechanics. using both finite element analysis and the generalized method of cells. Residual stresses from processing are explicitly included and damage in the form of fiber-matrix debonding under transverse tensile and/or shear loading is represented by a simple interface model. The influence of microstructural architecture is largest whenever fiber-matrix debonding is not an issue, for example in the presence of transverse compressive stresses. Additionally, as the fiber volume fraction increases, so does the effect of microstructural architecture. With regard to the micromechanics analysis, the overall inelastic flow predicted by the generalized method of cells is in excellent agreement with that predicted using a large number of displacement-based finite elements.

Mechanisms and mechanics of shape loss during supersolidus liquid-phase sintering

NASA Astrophysics Data System (ADS)

Lal, Anand

Rapid sinter densification of relatively coarse prealloyed powders is possible by exceeding the solidus temperature in an approach termed supersolidus liquid phase sintering (SLPS). However, narrow processing windows for densification without distortion often limit this process. The liquid films at the grain boundaries that are responsible for densification also reduce the structural rigidity of components. Hence, components tend to slump under their own weight. Thus, the present study investigates shape loss during SLPS and rationalizes the processing and material factors with regard to separating densification from distortion. Experiments are performed on various prealloyed powders, including bronze, 316L stainless steel, and T15 tool steel. Differential thermal analysis, dilatometry, and in situ video imaging of sintering compacts are used to follow melting, densification, and distortion, respectively. Further, density and dimensional measurements are performed on sintered compacts. Results indicate a dependence of distortion on the sintering temperature and time, compact size, and melting behavior of the alloy. It is shown that the sintering temperature window, where high-density, precise components are obtained, can be widened for 316L stainless steel by boron addition. For the first time, a beam bending technique is used to measure the macroscopic apparent viscosity of semisolid bronze. The viscosity drops with temperature above the solidus and lies in the range of 108 to 106 Pa-s. Additionally, the in situ transverse rupture strength of bronze is measured to demonstrate the softening above the solidus temperature. Further, microstructural measurements are performed to enable correlation with the slumping behavior and viscosity. A model combining the deformation mechanisms, driving forces, and microstructural characteristics is developed to predict the conditions for densification and distortion onset. The microstructure is also correlated with the magnitude of shape loss and viscosity of a semisolid aggregate. A mechanistic model, based on the semisolid rheological characteristics, is developed to predict the magnitude and nature of shape loss. The model shows good correlation with experimental data for bronze. This study offers critical insight into SLPS and provides processing strategies for fabrication of high-density components without shape loss.

Surface 3D Micro Free Forms: Multifunctional Microstructured Mesoporous α-Alumina by in Situ Slip Casting Using Excimer Laser Ablated Polycarbonate Molds.

PubMed

Rowthu, Sriharitha; Böhlen, Karl; Bowen, Paul; Hoffmann, Patrik

2015-11-11

Ceramic surface microstructuring is a rapidly growing field with a variety of applications in tribology, wetting, biology, and so on. However, there are limitations to large-area microstructuring and fabrication of three-dimensional (3D) micro free forms. Here, we present a route to obtain intricate surface structures through in situ slip casting using polydimethylsiloxane (PDMS) negative molds which are replicated from excimer laser ablated polycarbonate (PC) master molds. PC sheets are ablated with a nanosecond KrF (λ = 248 nm) excimer laser mask projection system to obtain micron-scale 3D surface features over a large area of up to 3 m(2). Complex surface structures that include 3D free forms such as 3D topography of Switzerland, shallow structures such as diffractive optical elements (60 nm step) and conical micropillars have been obtained. The samples are defect-free produced with thicknesses of up to 10 mm and 120 mm diameter. The drying process of the slip cast alumina slurry takes place as a one-dimensional process, through surface evaporation and water permeation through the PDMS membrane. This allows homogeneous one-dimensional shrinkage during the drying process, independent of the sample's lateral dimensions. A linear mass diffusion model has been proposed to predict and explain the drying process of these ceramic colloidal suspensions. The calculated drying time is linearly proportional to the height of the slurry and the thickness of the negatively structured PDMS and is validated by the experimental results. An experimentally observed optimum Sylgard PDMS thickness range of ∼400 μm to 1 mm has achieved the best quality microstructured green compacts. Further, the model predicts that the drying time is independent of the microstructured areas and was validated using experimental observations carried out with microstructured areas of 300 mm(2), 1200 mm(2), and 120 cm(2). Therefore, in principle, the structures can be further replicated in areas up to 3 m(2) with the same drying time for the same slurry height. The surface-structured ceramics display interesting wetting properties, for example, eicosane-coated mesoporous microstructured alumina shows superhydrophobic behavior. Additionally, ceramic bulk samples could be further used as second-generation very hard and low-wear molds for further microfabrication.

Shock-loading response of advanced materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gray, G.T. III

1993-08-01

Advanced materials, such as composites (metal, ceramic, or polymer-matrix), intermetallics, foams (metallic or polymeric-based), laminated materials, and nanostructured materials are receiving increasing attention because their properties can be custom tailored specific applications. The high-rate/impact response of advanced materials is relevant to a broad range of service environments such as the crashworthiness of civilian/military vehicles, foreign-object-damage in aerospace, and light-weight armor. Increased utilization of these material classes under dynamic loading conditions requires an understanding of the relationship between high-rate/shock-wave response as a function of microstructure if we are to develop models to predict material behavior. In this paper the issues relevantmore » to defect generation, storage, and the underlying physical basis needed in predictive models for several advanced materials will be reviewed.« less

Modeling and Simulation of Nanoindentation

NASA Astrophysics Data System (ADS)

Huang, Sixie; Zhou, Caizhi

2017-11-01

Nanoindentation is a hardness test method applied to small volumes of material which can provide some unique effects and spark many related research activities. To fully understand the phenomena observed during nanoindentation tests, modeling and simulation methods have been developed to predict the mechanical response of materials during nanoindentation. However, challenges remain with those computational approaches, because of their length scale, predictive capability, and accuracy. This article reviews recent progress and challenges for modeling and simulation of nanoindentation, including an overview of molecular dynamics, the quasicontinuum method, discrete dislocation dynamics, and the crystal plasticity finite element method, and discusses how to integrate multiscale modeling approaches seamlessly with experimental studies to understand the length-scale effects and microstructure evolution during nanoindentation tests, creating a unique opportunity to establish new calibration procedures for the nanoindentation technique.

Effect of temperature, high pressure and freezing/thawing of dry-cured ham slices on dielectric time domain reflectometry response.

PubMed

Rubio-Celorio, Marc; Garcia-Gil, Núria; Gou, Pere; Arnau, Jacint; Fulladosa, Elena

2015-02-01

Dielectric Time Domain Reflectometry (TDR) is a useful technique for the characterization and classification of dry-cured ham according to its composition. However, changes in the behavior of dielectric properties may occur depending on environmental factors and processing. The effect of temperature, high pressure (HP) and freezing/thawing of dry-cured ham slices on the obtained TDR curves and on the predictions of salt and water contents when using previously developed predictive models, was evaluated in three independent experiments. The results showed that at temperatures below 20 °C there is an increase of the predicted salt content error, being more important in samples with higher water content. HP treatment caused a decrease of the reflected signal intensity due to the major mobility of available ions promoting an increase of the predicted salt content. Freezing/thawing treatment caused an increase of the reflected signal intensity due to the microstructural damages and the loss of water and ions, promoting a decrease of the predicted salt content.

Finite Element Models for Electron Beam Freeform Fabrication Process

NASA Technical Reports Server (NTRS)

Chandra, Umesh

2012-01-01

Electron beam freeform fabrication (EBF3) is a member of an emerging class of direct manufacturing processes known as solid freeform fabrication (SFF); another member of the class is the laser deposition process. Successful application of the EBF3 process requires precise control of a number of process parameters such as the EB power, speed, and metal feed rate in order to ensure thermal management; good fusion between the substrate and the first layer and between successive layers; minimize part distortion and residual stresses; and control the microstructure of the finished product. This is the only effort thus far that has addressed computer simulation of the EBF3 process. The models developed in this effort can assist in reducing the number of trials in the laboratory or on the shop floor while making high-quality parts. With some modifications, their use can be further extended to the simulation of laser, TIG (tungsten inert gas), and other deposition processes. A solid mechanics-based finite element code, ABAQUS, was chosen as the primary engine in developing these models whereas a computational fluid dynamics (CFD) code, Fluent, was used in a support role. Several innovative concepts were developed, some of which are highlighted below. These concepts were implemented in a number of new computer models either in the form of stand-alone programs or as user subroutines for ABAQUS and Fluent codes. A database of thermo-physical, mechanical, fluid, and metallurgical properties of stainless steel 304 was developed. Computing models for Gaussian and raster modes of the electron beam heat input were developed. Also, new schemes were devised to account for the heat sink effect during the deposition process. These innovations, and others, lead to improved models for thermal management and prediction of transient/residual stresses and distortions. Two approaches for the prediction of microstructure were pursued. The first was an empirical approach involving the computation of thermal gradient, solidification rate, and velocity (G,R,V) coupled with the use of a solidification map that should be known a priori. The second approach relies completely on computer simulation. For this purpose a criterion for the prediction of morphology was proposed, which was combined with three alternative models for the prediction of microstructure; one based on solidification kinetics, the second on phase diagram, and the third on differential scanning calorimetry data. The last was found to be the simplest and the most versatile; it can be used with multicomponent alloys and rapid solidification without any additional difficulty. For the purpose of (limited) experimental validation, finite element models developed in this effort were applied to three different shapes made of stainless steel 304 material, designed expressly for this effort with an increasing level of complexity. These finite element models require large computation time, especially when applied to deposits with multiple adjacent beads and layers. This problem can be overcome, to some extent, by the use of fast, multi-core computers. Also, due to their numerical nature coupled with the fact that solid mechanics- based models are being used to represent the material behavior in liquid and vapor phases as well, the models have some inherent approximations that become more pronounced when dealing with multi-bead and multi-layer deposits.

Development and qualification of additively manufactured parts for space

NASA Astrophysics Data System (ADS)

O'Brien, Michael J.

2018-02-01

Additive manufacturing (commonly called "3D printing") fabricates the desired final part directly from the input CAD (Computer Aided Design) file by depositing and fusing layer upon layer of the source material. New engineering designs are possible in which a single optimized part with novel topology can replace several traditional parts. The complex physics of metal deposition leads to variations in quality and to new flaws and residual stresses not seen in traditional manufacturing. Additive manufacturing currently has gaps in knowledge. Mission assurance will require: qualification and certification standards; sharing of data in handbooks; predictive models relating processing, microstructure and properties; and development of closed loop process control and non-destructive evaluation to reduce variability.

Materials Degradation and Detection (MD2): Deep Dive Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCloy, John S.; Montgomery, Robert O.; Ramuhalli, Pradeep

2013-02-01

An effort is underway at Pacific Northwest National Laboratory (PNNL) to develop a fundamental and general framework to foster the science and technology needed to support real-time monitoring of early degradation in materials used in the production of nuclear power. The development of such a capability would represent a timely solution to the mounting issues operators face with materials degradation in nuclear power plants. The envisioned framework consists of three primary and interconnected “thrust” areas including 1) microstructural science, 2) behavior assessment, and 3) monitoring and predictive capabilities. A brief state-of-the-art assessment for each of these core technology areas ismore » discussed in the paper.« less

Designing nacre-like materials for simultaneous stiffness, strength and toughness: Optimum materials, composition, microstructure and size

NASA Astrophysics Data System (ADS)

Barthelat, Francois

2014-12-01

Nacre, bone and spider silk are staggered composites where inclusions of high aspect ratio reinforce a softer matrix. Such staggered composites have emerged through natural selection as the best configuration to produce stiffness, strength and toughness simultaneously. As a result, these remarkable materials are increasingly serving as model for synthetic composites with unusual and attractive performance. While several models have been developed to predict basic properties for biological and bio-inspired staggered composites, the designer is still left to struggle with finding optimum parameters. Unresolved issues include choosing optimum properties for inclusions and matrix, and resolving the contradictory effects of certain design variables. Here we overcome these difficulties with a multi-objective optimization for simultaneous high stiffness, strength and energy absorption in staggered composites. Our optimization scheme includes material properties for inclusions and matrix as design variables. This process reveals new guidelines, for example the staggered microstructure is only advantageous if the tablets are at least five times stronger than the interfaces, and only if high volume concentrations of tablets are used. We finally compile the results into a step-by-step optimization procedure which can be applied for the design of any type of high-performance staggered composite and at any length scale. The procedure produces optimum designs which are consistent with the materials and microstructure of natural nacre, confirming that this natural material is indeed optimized for mechanical performance.

Embrittlement and Flow Localization in Reactor Structural Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xianglin Wu; Xiao Pan; James Stubbins

2006-10-06

Many reactor components and structural members are made from metal alloys due, in large part, to their strength and ability to resist brittle fracture by plastic deformation. However, brittle fracture can occur when structural material cannot undergo extensive, or even limited, plastic deformation due to irradiation exposure. Certain irradiation conditions lead to the development of a damage microstructure where plastic flow is limited to very small volumes or regions of material, as opposed to the general plastic flow in unexposed materials. This process is referred to as flow localization or plastic instability. The true stress at the onset of neckingmore » is a constant regardless of the irradiation level. It is called 'critical stress' and this critical stress has strong temperature dependence. Interrupted tensile testes of 316L SS have been performed to investigate the microstructure evolution and competing mechanism between mechanic twinning and planar slip which are believed to be the controlling mechanism for flow localization. Deformation twinning is the major contribution of strain hardening and good ductility for low temperatures, and the activation of twinning system is determined by the critical twinning stress. Phases transform and texture analyses are also discussed in this study. Finite element analysis is carried out to complement the microstructural analysis and for the prediction of materaials performance with and without stress concentration and irradiation.« less

Microstructural Evolution and Constitutive Relationship of M350 Grade Maraging Steel During Hot Deformation

NASA Astrophysics Data System (ADS)

Chakravarthi, K. V. A.; Koundinya, N. T. B. N.; Narayana Murty, S. V. S.; Nageswara Rao, B.

2017-03-01

Maraging steels exhibit extraordinary strength coupled with toughness and are therefore materials of choice for critical structural applications in defense, aerospace and nuclear engineering. Thermo-mechanical processing is an important step in the manufacture of these structural components. This process assumes significance as these materials are expensive and the mechanical properties obtained depend on the microstructure evolved during thermo-mechanical processing. In the present study, M350 grade maraging steel specimens were hot isothermally compressed in the temperature range of 900-1200 °C and in the strain rate range of 0.001-100 s-1, and true stress-true strain curves were generated. The microstructural evolution as a function of strain rate and temperature in the deformed compression specimens was studied. The effect of friction between sample and compression dies was evaluated, and the same was found to be low. The measured flow stress data was used for the development of a constitutive model to represent the hot deformation behavior of this alloy. The proposed equation can be used as an input in the finite element analysis to obtain the flow stress at any given strain, strain rate, and temperature useful for predicting the flow localization or fracture during thermo-mechanical simulation. The activation energy for hot deformation was calculated and is found to be 370.88 kJ/mol, which is similar to that of M250 grade maraging steel.

Thickness and microstructure effects in the optical and electrical properties of silver thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding, Guowen, E-mail: gding@intermolecular.com; Clavero, César; Schweigert, Daniel

The optical and electrical response of metal thin films approaching thicknesses in the range of the electron mean free path is highly affected by electronic scattering with the interfaces and defects. Here, we present a theoretical and experimental study on how thickness and microstructure affect the properties of Ag thin films. We are able to successfully model the electrical resistivity and IR optical response using a thickness dependent electronic scattering time. Remarkably, the product of electronic scattering time and resistivity remains constant regardless of the thickness (τx ρ = C), with a value of 59 ± 2 μΩ cm ⋅more » fs for Ag films in the investigated range from 3 to 74 nm. Our findings enable us to develop a theoretically framework that allows calculating the optical response of metal thin films in the IR by using their measured thickness and resistivity. An excellent agreement is found between experimental measurements and predicted values. This study also shows the theoretical lower limit for emissivity in Ag thin films according to their microstructure and thickness. Application of the model presented here will allow rapid characterization of the IR optical response of metal thin films, with important application in a broad spectrum of fundamental and industrial applications, including optical coatings, low-emissivity windows and semiconductor industry.« less

Microstructural development from interdiffusion and reaction between U–Mo and AA6061 alloys annealed at 600° and 550 °C

DOE PAGES

Perez, E.; Keiser, D. D.; Sohn, Y. H.

2016-05-10

The U.S. Material Management and Minimization Reactor Conversion Program is developing low enrichment fuel systems encased in Al-alloy for use in research and test reactors. Monolithic fuel plates have local regions where the Usingle bondMo fuel plate may come into contact with the Al-alloy 6061 (AA6061) cladding. This results in the development of interdiffusion zones with complex microstructures with multiple phases. In this study, the microstructural development of diffusion couples, U–7 wt%Mo, U–10 wt%Mo, and U–12 wt%Mo vs. AA6061, annealed at 600 °C for 24 h and at 550 °C for 1, 5, and 20 h, were analyzed by scanningmore » electron microscopy with x-ray energy dispersive spectroscopy. The microstructural development and kinetics were compared to diffusion couples U–Mo vs. high purity Al and binary Al–Si alloys. As a result, the diffusion couples developed complex interaction regions where phase development was influenced by the alloying additions of the AA6061.« less

The NBS: Processing/Microstructure/Property Relationships in 2024 Aluminum Alloy Plates

NASA Technical Reports Server (NTRS)

Ives, L. K.; Swartzendruber, W. J.; Boettinger, W. J.; Rosen, M.; Ridder, S. D.

1983-01-01

As received plates of 2024 aluminum alloy were examined. Topics covered include: solidification segregation studies; microsegregation and macrosegregation in laboratory and commercially cast ingots; C-curves and nondestructive evaluation; time-temperature precipitation diagrams and the relationships between mechanical properties and NDE measurements; transmission electron microscopy studies; the relationship between microstructure and properties; ultrasonic characterization; eddy-current conductivity characterization; the study of aging process by means of dynamic eddy current measurements; and Heat flow-property predictions, property degradations due to improve quench from the solution heat treatment temperature.

Microstructural evolution of neutron irradiated 3C-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprouster, David J.; Koyanagi, Takaaki; Dooryhee, Eric

The microstructural response of neutron irradiated 3C-SiC have been investigated over a wide irradiation temperature and fluence range via qualitative and quantitative synchrotron-based X-ray diffraction characterization. Here, we identify several neutron fluence- and irradiation temperature-dependent changes in the microstructure, and directly highlight the specific defects introduced through the course of irradiation. By quantifying the microstructure, we aim to develop a more detailed understanding of the radiation response of SiC. Such studies are important to build mechanistic models of material performance and to understand the susceptibility of various microstructures to radiation damage for advanced energy applications.

Microstructural evolution of neutron irradiated 3C-SiC

DOE PAGES

Sprouster, David J.; Koyanagi, Takaaki; Dooryhee, Eric; ...

2017-03-18

The microstructural response of neutron irradiated 3C-SiC have been investigated over a wide irradiation temperature and fluence range via qualitative and quantitative synchrotron-based X-ray diffraction characterization. Here, we identify several neutron fluence- and irradiation temperature-dependent changes in the microstructure, and directly highlight the specific defects introduced through the course of irradiation. By quantifying the microstructure, we aim to develop a more detailed understanding of the radiation response of SiC. Such studies are important to build mechanistic models of material performance and to understand the susceptibility of various microstructures to radiation damage for advanced energy applications.

Structure-property relationships in an Al matrix Ca nanofilamentary composite conductor with potential application in high-voltage power transmission

NASA Astrophysics Data System (ADS)

Tian, Liang

This study investigated the processing-structure-properties relationships in an Al/Ca composites using both experiments and modeling/simulation. A particular focus of the project was understanding how the strength and electrical conductivity of the composite are related to its microstructure in the hope that a conducting material with light weight, high strength, and high electrical conductivity can be developed to produce overhead high-voltage power transmission cables. The current power transmission cables (e.g., Aluminum Conductor Steel Reinforced (ACSR)) have acceptable performance for high-voltage AC transmission, but are less well suited for high-voltage DC transmission due to the poorly conducting core materials that support the cable weight. This Al/Ca composite was produced by powder metallurgy and severe plastic deformation by extrusion and swaging. The fine Ca metal powders have been produced by centrifugal atomization with rotating liquid oil quench bath, and a detailed study about the atomization process and powder characteristics has been conducted. The microstructure of Al/Ca composite was characterized by electron microscopy. Microstructure changes at elevated temperature were characterized by thermal analysis and indirect resistivity tests. The strength and electrical conductivity were measured by tensile tests and four-point probe resistivity tests. Predicting the strength and electrical conductivity of the composite was done by micro-mechanics-based analytical modeling. Microstructure evolution was studied by mesoscale-thermodynamics-based phase field modeling and a preliminary atomistic molecular dynamics simulation. The application prospects of this composite was studied by an economic analysis. This study suggests that the Al/Ca (20 vol. %) composite shows promise for use as overhead power transmission cables. Further studies are needed to measure the corrosion resistance, fatigue properties and energized field performance of this composite.

Influences of die channel angles on microstructures and wear behaviors of AZ61 wrought magnesium alloy fabricated by extrusion-shear process

NASA Astrophysics Data System (ADS)

Hu, Hong-J.; Sun, Z.; Ou, Z.-W.

2016-12-01

Extrusion-shear (ES) process for magnesium alloy is a newly developed plastic deformation process, and ES process combines direct extrusion and two steps of ECAE (equal channel angular extrusion). To investigate the effects of the die channel angles on the microstructures and wear behaviors of AZ61 wrought magnesium alloy, the samples used in this study were fabricated by ES process with different die channel angles (120° and 135°). The microstructures of the samples were characterized by optical microscopy (OM), X-ray diffraction (XRD) and (SEM). The cumulative strains in the ES process were predicted by approaches of numerical simulation and theoretical calculation. To characterize the wear resistance of the samples, pin-on-disk tests under dry sliding conditions with various normal loads and reciprocating frequencies were conducted. To define the wear mechanisms of AZ61 magnesium alloy, the worn surfaces after wear tests were analyzed by SEM and energy-dispersive X-ray spectrometer (EDS). Based on the results obtained, die channel angles have significant influences on the grain refinements and wear behaviors of the samples. Decreasing channel angles of the ES die will not only refine the microstructures of magnesium alloys effectively and improve their harnesses, but also improve their wear resistance as decreasing channel angles results in higher friction coefficients and wear rates. With the increase in applied loads and frequencies, wear mechanisms change from mild wear (adhesion, abrasion and oxidation) to severe wear (delamination, plastic deformation and melting). In summary, the wear resistance of ES-processed AZ61 magnesium alloy could be improved by decreasing channel angles of ES dies.

Correlating Microstructural Lithium Metal Growth with Electrolyte Salt Depletion in Lithium Batteries Using ⁷Li MRI.

PubMed

Chang, Hee Jung; Ilott, Andrew J; Trease, Nicole M; Mohammadi, Mohaddese; Jerschow, Alexej; Grey, Clare P

2015-12-09

Lithium dendrite growth in lithium ion and lithium rechargeable batteries is associated with severe safety concerns. To overcome these problems, a fundamental understanding of the growth mechanism of dendrites under working conditions is needed. In this work, in situ (7)Li magnetic resonance (MRI) is performed on both the electrolyte and lithium metal electrodes in symmetric lithium cells, allowing the behavior of the electrolyte concentration gradient to be studied and correlated with the type and rate of microstructure growth on the Li metal electrode. For this purpose, chemical shift (CS) imaging of the metal electrodes is a particularly sensitive diagnostic method, enabling a clear distinction to be made between different types of microstructural growth occurring at the electrode surface and the eventual dendrite growth between the electrodes. The CS imaging shows that mossy types of microstructure grow close to the surface of the anode from the beginning of charge in every cell studied, while dendritic growth is triggered much later. Simple metrics have been developed to interpret the MRI data sets and to compare results from a series of cells charged at different current densities. The results show that at high charge rates, there is a strong correlation between the onset time of dendrite growth and the local depletion of the electrolyte at the surface of the electrode observed both experimentally and predicted theoretical (via the Sand's time model). A separate mechanism of dendrite growth is observed at low currents, which is not governed by salt depletion in the bulk liquid electrolyte. The MRI approach presented here allows the rate and nature of a process that occurs in the solid electrode to be correlated with the concentrations of components in the electrolyte.

Impact of the irregular microgeometry of polyurethane foam on the macroscopic acoustic behavior predicted by a unit-cell model.

PubMed

Doutres, O; Ouisse, M; Atalla, N; Ichchou, M

2014-10-01

This paper deals with the prediction of the macroscopic sound absorption behavior of highly porous polyurethane foams using two unit-cell microstructure-based models recently developed by Doutres, Atalla, and Dong [J. Appl. Phys. 110, 064901 (2011); J. Appl. Phys. 113, 054901 (2013)]. In these models, the porous material is idealized as a packing of a tetrakaidecahedra unit-cell representative of the disordered network that constitutes the porous frame. The non-acoustic parameters involved in the classical Johnson-Champoux-Allard model (i.e., porosity, airflow resistivity, tortuosity, etc.) are derived from characteristic properties of the unit-cell and semi-empirical relationships. A global sensitivity analysis is performed on these two models in order to investigate how the variability associated with the measured unit-cell characteristics affects the models outputs. This allows identification of the possible limitations of a unit-cell micro-macro approach due to microstructure irregularity. The sensitivity analysis mainly shows that for moderately and highly reticulated polyurethane foams, the strut length parameter is the key parameter since it greatly impacts three important non-acoustic parameters and causes large uncertainty on the sound absorption coefficient even if its measurement variability is moderate. For foams with a slight inhomogeneity and anisotropy, a micro-macro model associated to cell size measurements should be preferred.

Thermal conductivity of the sideledge in aluminium electrolysis cells: Experiments and numerical modelling

NASA Astrophysics Data System (ADS)

Gheribi, Aïmen E.; Poncsák, Sándor; Guérard, Sébastien; Bilodeau, Jean-François; Kiss, László; Chartrand, Patrice

2017-03-01

During aluminium electrolysis, a ledge of frozen electrolytes is generally formed, attached to the sides of the cells. This ledge acts as a protective layer, preventing erosion and chemical attacks of both the electrolyte melt and the liquid aluminium on the side wall materials. The control of the sideledge thickness is thus essential in ensuring a reasonable lifetime for the cells. The key property for modelling and predicting the sideledge thickness as a function of temperature and electrolyte composition is the thermal conductivity. Unfortunately, almost no data is available on the thermal conductivity of the sideledge. The aim of this work is to alleviate this lack of data. For seven different samples of sideledge microstructures, recovered from post-mortem industrial electrolysis cells, the thermal diffusivity, the density, and the phase compositions were measured in the temperature range of 423 K to 873 K. The thermal diffusivity was measured with a laser flash technique and the average phase compositions by X-ray diffraction analysis. The thermal conductivity of the sideledge is deduced from the present experimental thermal diffusivity and density, and the thermodynamically assessed heat capacity. In addition to the present experimental work, a theoretical model for the prediction of the effective thermal transport properties of the sideledge microstructure is also proposed. The proposed model considers an equivalent microstructure and depends on phase fractions, porosity, and temperature. The strength of the model lies in the fact that only a few key physical properties are required for its parametrization and they can be predicted with a good accuracy via first principles calculations. It is shown that the theoretical predictions are in a good agreement with the present experimental measurements.

Development and investigation of MOEMS type displacement-pressure sensor for biological information monitoring

NASA Astrophysics Data System (ADS)

Ostasevicius, Vytautas; Malinauskas, Karolis; Janusas, Giedrius; Palevicius, Arvydas; Cekas, Elingas

2016-04-01

The aim of this paper is to develop and investigate MOEMS displacement-pressure sensor for biological information monitoring. Developing computational periodical microstructure models using COMSOL Multiphysics modeling software for modal and shape analysis and implementation of these results for design MOEMS displacement-pressure sensor for biological information monitoring was performed. The micro manufacturing technology of periodical microstructure having good diffraction efficiency was proposed. Experimental setup for characterisation of optical properties of periodical microstructure used for design of displacement-pressure sensor was created. Pulsating human artery dynamic characteristics in this paper were analysed.

Biomimetic microstructures for photonic and fluidic synergies

NASA Astrophysics Data System (ADS)

Vasileiou, Maria; Mpatzaka, Theodora; Alexandropoulos, Dimitris; Vainos, Nikolaos A.

2017-08-01

Nature-inspired micro- and nano-structures offer a unique platform for the development of novel synergetic systems combining photonic and microfluidic functionalities. In this context, we examine the paradigm of butterfly Vanessa cardui and develop artificial diffractive microstructures inspired by its natural designs. Softlithographic and nanoimprint protocols are developed to replicate surfaces of natural specimens. Further to their optical behavior, interphases tailored by such microstructures exhibit enhanced hydrophobic properties, as compared to their planar counterparts made of the same materials. Such synergies exploited by new design approaches pave the way to prospective optofluidic, lab-on-chip and sensing applications.

Non-destructive and three-dimensional measurement of local strain development during tensile deformation in an aluminium alloy

NASA Astrophysics Data System (ADS)

Kobayashi, M.; Miura, H.; Toda, H.

2015-08-01

Anisotropy of mechanical responses depending on crystallographic orientation causes inhomogeneous deformation on the mesoscopic scale (grain size scale). Investigation of the local plastic strain development is important for discussing recrystallization mechanisms, because the sites with higher local plastic strain may act as potential nucleation sites for recrystallization. Recently, high-resolution X-ray tomography, which is non-destructive inspection method, has been utilized for observation of the materials structure. In synchrotron radiation X-ray tomography, more than 10,000 microstructural features, like precipitates, dispersions, compounds and hydrogen pores, can be observed in aluminium alloys. We have proposed employing these microstructural features as marker gauges to measure local strains, and then have developed a method to calculate the three-dimensional strain distribution by tracking the microstructural features. In this study, we report the development of local plastic strain as a function of the grain microstructure in an aluminium alloy by means of this three-dimensional strain measurement technique. Strongly heterogeneous strain development was observed during tensile loading to 30%. In other words, some parts of the sample deform little whereas another deforms a lot. However, strain in the whole specimen was keeping harmony. Comparing the microstructure with the strain concentration that is obtained by this method has a potential to reveal potential nucleation sites of recrystallization.

Corpus callosum vasculature predicts white matter microstructure abnormalities following pediatric mild traumatic brain injury.

PubMed

Wendel, Kara M; Lee, Jeong Bin; Affeldt, Bethann; Hamer, Mary; Harahap-Carrillo, Indira S; Pardo, Andrea C; Obenaus, Andre

2018-05-09

Emerging data suggest that pediatric traumatic brain injury (TBI) is associated with impaired developmental plasticity and poorer neuropsychological outcomes than adults with similar head injuries. Unlike adult mild TBI (mTBI), the effects of mTBI on white matter (WM) microstructure and vascular supply are not well-understood in the pediatric population. The cerebral vasculature plays an important role providing necessary nutrients and removing waste. To address this critical element, we examined the microstructure of the corpus callosum (CC) following pediatric mTBI using diffusion tensor imaging (DTI), and investigated myelin, oligodendrocytes, and vasculature of WM with immunohistochemistry. We hypothesized that pediatric mTBI leads to abnormal WM microstructure and impacts the vasculature within the CC, and that these alterations to WM vasculature contribute to the long-term altered microstructure. We induced a closed head injury mTBI at postnatal day 14, then at 4, 14, and 60 days post injury (DPI) mice were sacrificed for analysis. We observed persistent changes in apparent diffusion coefficient (ADC) within the ipsilateral CC following mTBI, indicating microstructural changes, but surprisingly changes in myelin and oligodendrocyte densities were minimal. However, vasculature features of the ipsilateral CC such as vessel density, length, and number of junctions were persistently altered following mTBI. Correlative analysis showed a strong inverse relationship between ADC and vessel density at 60 DPI, suggesting increased vessel density following mTBI may restrict WM diffusion characteristics. Our findings suggest that WM vasculature contributes to the long-term microstructural changes within the ipsilateral CC following mTBI.

Final Report on Developing Microstructure-Property Correlation in Reactor Materials using in situ High-Energy X-rays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Meimei; Almer, Jonathan D.; Yang, Yong

2016-01-01

This report provides a summary of research activities on understanding microstructure – property correlation in reactor materials using in situ high-energy X-rays. The report is a Level 2 deliverable in FY16 (M2CA-13-IL-AN_-0403-0111), under the Work Package CA-13-IL-AN_- 0403-01, “Microstructure-Property Correlation in Reactor Materials using in situ High Energy Xrays”, as part of the DOE-NE NEET Program. The objective of this project is to demonstrate the application of in situ high energy X-ray measurements of nuclear reactor materials under thermal-mechanical loading, to understand their microstructure-property relationships. The gained knowledge is expected to enable accurate predictions of mechanical performance of these materialsmore » subjected to extreme environments, and to further facilitate development of advanced reactor materials. The report provides detailed description of the in situ X-ray Radiated Materials (iRadMat) apparatus designed to interface with a servo-hydraulic load frame at beamline 1-ID at the Advanced Photon Source. This new capability allows in situ studies of radioactive specimens subject to thermal-mechanical loading using a suite of high-energy X-ray scattering and imaging techniques. We conducted several case studies using the iRadMat to obtain a better understanding of deformation and fracture mechanisms of irradiated materials. In situ X-ray measurements on neutron-irradiated pure metal and model alloy and several representative reactor materials, e.g. pure Fe, Fe-9Cr model alloy, 316 SS, HT-UPS, and duplex cast austenitic stainless steels (CASS) CF-8 were performed under tensile loading at temperatures of 20-400°C in vacuum. A combination of wide-angle X-ray scattering (WAXS), small-angle X-ray scattering (SAXS), and imaging techniques were utilized to interrogate microstructure at different length scales in real time while the specimen was subject to thermal-mechanical loading. In addition, in situ X-ray studies were complemented and benchmarked by ex situ characterization using advanced electron microscopy, atom probe tomography (APT) and micro/nano-indentation. The report presented in situ tensile test results on neutron-irradiated pure Fe, Fe-9Cr model alloy, 316 SS and CASS CF-8. These in situ experiments demonstrate the broad applications of the new capability in understanding several outstanding issues related to irradiated materials.« less

Impedance Spectroscopy Study of the Effect of Environmental Conditions on the Microstructure Development of Sustainable Fly Ash Cement Mortars.

PubMed

Ortega, José Marcos; Sánchez, Isidro; Climent, Miguel Ángel

2017-09-25

Today, the characterisation of the microstructure of cement-based materials using non-destructive techniques has become an important topic of study, and among them, the impedance spectroscopy has recently experienced great progress. In this research, mortars with two different contents of fly ash were exposed to four different constant temperature and relative humidity environments during a 180-day period. The evolution of their microstructure was studied using impedance spectroscopy, whose results were contrasted with mercury intrusion porosimetry. The hardening environment has an influence on the microstructure of fly ash cement mortars. On one hand, the impedance resistances R₁ and R₂ are more influenced by the drying of the materials than by microstructure development, so they are not suitable for following the evolution of the porous network under non-optimum conditions. On the other hand, the impedance spectroscopy capacitances C₁ and C₂ allow studying the microstructure development of fly ash cement mortars exposed to those conditions, and their results are in accordance with mercury intrusion porosimetry ones. Finally, it has been observed that the combined analysis of the abovementioned capacitances could be very useful for studying shrinkage processes in cement-based materials kept in low relative humidity environments.

Postnatal Microstructural Developmental Trajectory of Corpus Callosum Subregions and Relationship to Clinical Factors in Very Preterm Infants.

PubMed

Teli, Radhika; Hay, Margaret; Hershey, Alexa; Kumar, Manoj; Yin, Han; Parikh, Nehal A

2018-05-15

Our objectives were to define the microstructural developmental trajectory of six corpus callosum subregions and identify perinatal clinical factors that influence early development of these subregions in very preterm infants. We performed a longitudinal cohort study of very preterm infants (32 weeks gestational age or younger) (N = 36) who underwent structural MRI and diffusion tensor imaging serially at four time points - before 32, 32, 38, and 52 weeks postmenstrual age. We divided the corpus callosum into six subregions, performed probabilistic tractography, and used linear mixed effects models to evaluate the influence of antecedent clinical factors on its microstructural growth trajectory. The genu and splenium demonstrated the most rapid developmental maturation, exhibited by a steep increase in fractional anisotropy. We identified several factors that favored greater corpus callosum microstructural development, including advancing postmenstrual age, higher birth weight, and college level or higher maternal education. Bronchopulmonary dysplasia, low 5-minute Apgar scores, caffeine therapy/apnea of prematurity and male sex were associated with reduced corpus callosum microstructural integrity/development over the first six months after very preterm birth. We identified a unique postnatal microstructural growth trajectory and associated clinical factor profile for each of the six corpus callosum subregions that is consistent with the heterogeneous functional role of these white matter subregions.

Influence of convection on microstructure

NASA Technical Reports Server (NTRS)

Wilcox, William R.; Regel, Liya L.

1992-01-01

The primary motivation for this research has been to determine the cause for space processing altering the microstructure of some eutectics, especially the MnBi-Bi eutectic. Prior experimental research at Grumman and here showed that the microstructure of MnBi-Bi eutectic is twice as fine when solidified in space or in a magnetic field, is uninfluenced by interfacial temperature gradient, adjusts very quickly to changes in freezing rate, and becomes coarser when spin-up/spin-down (accelerated crucible rotation technique) is used during solidification. Theoretical work at Clarkson predicted that buoyancy driven convection on earth could not account for the two fold change in fiber spacing caused by solidification in space. However, a lamellar structure with a planar interface was assumed, and the Soret effect was not included in the analysis. Experimental work at Clarkson showed that the interface is not planar, and that MnBi fibers project out in front of the Bi matrix on the order of one fiber diameter. Originally four primary hypotheses were to be tested under this current grant: (1) a fibrous microstructure is much more sensitive to convection than a lamellar microstructure, which was assumed in our prior theoretical treatment; (2) an interface with one phase projecting out into the melt is much more sensitive to convection than a planar interface, which was assumed in our prior theoretical treatment; (3) the Soret effect is much more important in the absence of convection and has a sufficiently large influence on microstructure that its action can explain the flight results; and (4) the microstructure is much more sensitive to convection when the composition of the bulk melt is off eutectic. As reported previously, we have learned that while a fibrous microstructure and a non-planar interface are more sensitive to convection than a lamellar microstructure with a planar interface, the influence of convection remains too small to explain the flight and magnetic field results. Similarly addition of the Soret effect does not explain the flight and magnetic field results.

Predictive Finite Rate Model for Oxygen-Carbon Interactions at High Temperature

NASA Astrophysics Data System (ADS)

Poovathingal, Savio

An oxidation model for carbon surfaces is developed to predict ablation rates for carbon heat shields used in hypersonic vehicles. Unlike existing empirical models, the approach used here was to probe gas-surface interactions individually and then based on an understanding of the relevant fundamental processes, build a predictive model that would be accurate over a wide range of pressures and temperatures, and even microstructures. Initially, molecular dynamics was used to understand the oxidation processes on the surface. The molecular dynamics simulations were compared to molecular beam experiments and good qualitative agreement was observed. The simulations reproduced cylindrical pitting observed in the experiments where oxidation was rapid and primarily occurred around a defect. However, the studies were limited to small systems at low temperatures and could simulate time scales only of the order of nanoseconds. Molecular beam experiments at high surface temperature indicated that a majority of surface reaction products were produced through thermal mechanisms. Since the reactions were thermal, they occurred over long time scales which were computationally prohibitive for molecular dynamics to simulate. The experiments provided detailed dynamical data on the scattering of O, O2, CO, and CO2 and it was found that the data from molecular beam experiments could be used directly to build a model. The data was initially used to deduce surface reaction probabilities at 800 K. The reaction probabilities were then incorporated into the direct simulation Monte Carlo (DSMC) method. Simulations were performed where the microstructure was resolved and dissociated oxygen convected and diffused towards it. For a gas-surface temperature of 800 K, it was found that despite CO being the dominant surface reaction product, a gas-phase reaction forms significant CO2 within the microstructure region. It was also found that surface area did not play any role in concentration of reaction products because the reaction probabilities were in the diffusion dominant regime. The molecular beam data at different surface temperatures was then used to build a finite rate model. Each reaction mechanism and all rate parameters of the new model were determined individually based on the molecular beam data. Despite the experiments being performed at near vacuum conditions, the finite rate model developed using the data could be used at pressures and temperatures relevant to hypersonic conditions. The new model was implemented in a computational fluid dynamics (CFD) solver and flow over a hypersonic vehicle was simulated. The new model predicted similar overall mass loss rates compared to existing models, however, the individual species production rates were completely different. The most notable difference was that the new model (based on molecular beam data) predicts CO as the oxidation reaction product with virtually no CO2 production, whereas existing models predict the exact opposite trend. CO being the dominant oxidation product is consistent with recent high enthalpy wind tunnel experiments. The discovery that measurements taken in molecular beam facilities are able to determine individual reaction mechanisms, including dependence on surface coverage, opens up an entirely new way of constructing ablation models.

Computational Design and Discovery of Ni-Based Alloys and Coatings: Thermodynamic Approaches Validated by Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zi-Kui; Gleeson, Brian; Shang, Shunli

This project developed computational tools that can complement and support experimental efforts in order to enable discovery and more efficient development of Ni-base structural materials and coatings. The project goal was reached through an integrated computation-predictive and experimental-validation approach, including first-principles calculations, thermodynamic CALPHAD (CALculation of PHAse Diagram), and experimental investigations on compositions relevant to Ni-base superalloys and coatings in terms of oxide layer growth and microstructure stabilities. The developed description included composition ranges typical for coating alloys and, hence, allow for prediction of thermodynamic properties for these material systems. The calculation of phase compositions, phase fraction, and phase stabilities,more » which are directly related to properties such as ductility and strength, was a valuable contribution, along with the collection of computational tools that are required to meet the increasing demands for strong, ductile and environmentally-protective coatings. Specifically, a suitable thermodynamic description for the Ni-Al-Cr-Co-Si-Hf-Y system was developed for bulk alloy and coating compositions. Experiments were performed to validate and refine the thermodynamics from the CALPHAD modeling approach. Additionally, alloys produced using predictions from the current computational models were studied in terms of their oxidation performance. Finally, results obtained from experiments aided in the development of a thermodynamic modeling automation tool called ESPEI/pycalphad - for more rapid discovery and development of new materials.« less

Multi-scale damage modelling in a ceramic matrix composite using a finite-element microstructure meshfree methodology

PubMed Central

2016-01-01

The problem of multi-scale modelling of damage development in a SiC ceramic fibre-reinforced SiC matrix ceramic composite tube is addressed, with the objective of demonstrating the ability of the finite-element microstructure meshfree (FEMME) model to introduce important aspects of the microstructure into a larger scale model of the component. These are particularly the location, orientation and geometry of significant porosity and the load-carrying capability and quasi-brittle failure behaviour of the fibre tows. The FEMME model uses finite-element and cellular automata layers, connected by a meshfree layer, to efficiently couple the damage in the microstructure with the strain field at the component level. Comparison is made with experimental observations of damage development in an axially loaded composite tube, studied by X-ray computed tomography and digital volume correlation. Recommendations are made for further development of the model to achieve greater fidelity to the microstructure. This article is part of the themed issue ‘Multiscale modelling of the structural integrity of composite materials’. PMID:27242308

Processing-microstructure models for short- and long-fiber thermoplastic composites

NASA Astrophysics Data System (ADS)

Phelps, Jay H.

The research for this thesis has explored the important microstructural variables for injection-molded thermoplastic composites with discontinuous fiber reinforcement. Two variables, the distributions of fiber orientation and fiber length after processing, have proven to be not only important for correct material property prediction but also difficult to predict using currently available modeling and simulation techniques. In this work, we develop new models for the prediction of these two microstructural variables. Previously, the Folgar-Tucker model has been widely used to predict fiber orientation in injection molded SFT composites. This model accounts for the effects of both hydrodynamics and fiber-fiber interactions in order to give a prediction for a tensorial measure of fiber orientation. However, when applied to at least some classes of LFTs, this model does not match all components of experimental fiber orientation tensor data. In order to address this shortcoming of the model, we hypothesize that Folgar and Tucker's phenomenological treatment of the effects of fiber-fiber interactions with an isotropic rotary diffusion contribution to the rate of change of orientation is insufficient for materials with longer fibers. Instead, this work develops a fiber orientation model that incorporates anisotropic rotary diffusion (ARD). From kinetic theory we derive a general family of evolution equations for the second-order orientation tensor, correcting errors in earlier treatments, and identify a specific equation that is useful for predicting orientation in LFTs. The amount of diffusivity in this model used to approximate the effect of fiber-fiber interactions in each direction is assumed to depend on a second-order space tensor, which is taken to be a function of the orientation state and the rate of deformation. Also, concentrated fiber suspensions align more slowly with respect to strain than the Folgar-Tucker model predicts. Here, we borrow the technique of Wang et al. (2008) to incorporate this behavior in an objective fashion in this new model. Model parameters are selected by matching the experimental steady-state orientation in simple shear flow, and by requiring stable steady states and physically realizable solutions. Utilizing two separate techniques, we identify model parameters for three different materials. We then show that once a set of parameters that meets all previously established criteria has been identified, the differences in model behavior are negligible within that set of parameters. The final model with the proper parameter set is suitable for use in mold filling and other flow simulations, and does give improved predictions of fiber orientation for injection molded LFTs. Although significant fiber length degradation in LFTs has been observed both in literature and in this work, there are no quantitative fiber breakage models to predict either fiber length distributions or average fiber length measures. This work reviews the suspected causes of fiber breakage during the processing of discontinuously-reinforced thermoplastics, specifically LFTs, and introduces a phenomenological fiber breakage model based on the buckling force in a hydrodynamically loaded fiber. This breakage model is incorporated into a conservation equation for total fiber length, and a phenomenological model for the evolution of the fiber length distribution is developed. From this model, we also develop separate, approximate models for the evolution of both the number-average and weight-average fiber length measures. By applying these models to both a simple numerical example and a more complex mold-filling simulation, a qualitative agreement between experiment and prediction is observed. Although these results are promising, the breakage models have only been applied to the mold cavity in injection molding simulation. Both a literature review and our experimental data strongly suggest that the majority of fiber length degradation occurs in the earlier stages of injection molding, in the screw nozzle, runners, and gate. A better understanding of the melting and flow conditions upstream of the mold cavity, the simulation of which is beyond the scope of this work, is needed before these breakage models can be properly applied to the entire injection molding process. (Abstract shortened by UMI.)

Review on Microstructure Analysis of Metals and Alloys Using Image Analysis Techniques

NASA Astrophysics Data System (ADS)

Rekha, Suganthini; Bupesh Raja, V. K.

2017-05-01

The metals and alloys find vast application in engineering and domestic sectors. The mechanical properties of the metals and alloys are influenced by their microstructure. Hence the microstructural investigation is very critical. Traditionally the microstructure is studied using optical microscope with suitable metallurgical preparation. The past few decades the computers are applied in the capture and analysis of the optical micrographs. The advent of computer softwares like digital image processing and computer vision technologies are a boon to the analysis of the microstructure. In this paper the literature study of the various developments in the microstructural analysis, is done. The conventional optical microscope is complemented by the use of Scanning Electron Microscope (SEM) and other high end equipments.

Image-Based Macro-Micro Finite Element Models of a Canine Femur with Implant Design Implications

NASA Astrophysics Data System (ADS)

Ghosh, Somnath; Krishnan, Ganapathi; Dyce, Jonathan

2006-06-01

In this paper, a comprehensive model of a bone-cement-implant assembly is developed for a canine cemented femoral prosthesis system. Various steps in this development entail profiling the canine femur contours by computed tomography (CT) scanning, computer aided design (CAD) reconstruction of the canine femur from CT images, CAD modeling of the implant from implant blue prints and CAD modeling of the interface cement. Finite element analysis of the macroscopic assembly is conducted for stress analysis in individual components of the system, accounting for variation in density and material properties in the porous bone material. A sensitivity analysis is conducted with the macroscopic model to investigate the effect of implant design variables on the stress distribution in the assembly. Subsequently, rigorous microstructural analysis of the bone incorporating the morphological intricacies is conducted. Various steps in this development include acquisition of the bone microstructural data from histological serial sectioning, stacking of sections to obtain 3D renderings of void distributions, microstructural characterization and determination of properties and, finally, microstructural stress analysis using a 3D Voronoi cell finite element method. Generation of the simulated microstructure and analysis by the 3D Voronoi cell finite element model provides a new way of modeling complex microstructures and correlating to morphological characteristics. An inverse calculation of the material parameters of bone by combining macroscopic experiments with microstructural characterization and analysis provides a new approach to evaluating properties without having to do experiments at this scale. Finally, the microstructural stresses in the femur are computed using the 3D VCFEM to study the stress distribution at the scale of the bone porosity. Significant difference is observed between the macroscopic stresses and the peak microscopic stresses at different locations.

A semi-empirical model relating micro structure to acoustic properties of bimodal porous material

NASA Astrophysics Data System (ADS)

Mosanenzadeh, Shahrzad Ghaffari; Doutres, Olivier; Naguib, Hani E.; Park, Chul B.; Atalla, Noureddine

2015-01-01

Complex morphology of open cell porous media makes it difficult to link microstructural parameters and acoustic behavior of these materials. While morphology determines the overall sound absorption and noise damping effectiveness of a porous structure, little is known on the influence of microstructural configuration on the macroscopic properties. In the present research, a novel bimodal porous structure was designed and developed solely for modeling purposes. For the developed porous structure, it is possible to have direct control on morphological parameters and avoid complications raised by intricate pore geometries. A semi-empirical model is developed to relate microstructural parameters to macroscopic characteristics of porous material using precise characterization results based on the designed bimodal porous structures. This model specifically links macroscopic parameters including static airflow resistivity ( σ ) , thermal characteristic length ( Λ ' ) , viscous characteristic length ( Λ ) , and dynamic tortuosity ( α ∞ ) to microstructural factors such as cell wall thickness ( 2 t ) and reticulation rate ( R w ) . The developed model makes it possible to design the morphology of porous media to achieve optimum sound absorption performance based on the application in hand. This study makes the base for understanding the role of microstructural geometry and morphological factors on the overall macroscopic parameters of porous materials specifically for acoustic capabilities. The next step is to include other microstructural parameters as well to generalize the developed model. In the present paper, pore size was kept constant for eight categories of bimodal foams to study the effect of secondary porous structure on macroscopic properties and overall acoustic behavior of porous media.

Microstructural Rearrangements and their Rheological Implications in a Model Thixotropic Elastoviscoplastic Fluid

NASA Astrophysics Data System (ADS)

Jamali, Safa; McKinley, Gareth H.; Armstrong, Robert C.

2017-01-01

We identify the sequence of microstructural changes that characterize the evolution of an attractive particulate gel under flow and discuss their implications on macroscopic rheology. Dissipative particle dynamics is used to monitor shear-driven evolution of a fabric tensor constructed from the ensemble spatial configuration of individual attractive constituents within the gel. By decomposing this tensor into isotropic and nonisotropic components we show that the average coordination number correlates directly with the flow curve of the shear stress versus shear rate, consistent with theoretical predictions for attractive systems. We show that the evolution in nonisotropic local particle rearrangements are primarily responsible for stress overshoots (strain-hardening) at the inception of steady shear flow and also lead, at larger times and longer scales, to microstructural localization phenomena such as shear banding flow-induced structure formation in the vorticity direction.

Scaling, Microstructure and Dynamic Fracture

NASA Astrophysics Data System (ADS)

Minich, Roger W.; Kumar, Mukul; Schwarz, Adam; Cazamias, James

2006-07-01

The relationship between pullback velocity and impact velocity is studied for different microstructures in Cu. A size distribution of potential nucleation sites is derived under the conditions of an applied stochastic stress field. The size distribution depends on the amplitude of the stress fluctuations, which may be proportional to the flow stress thereby providing a connection between plastic flow and microvoid nucleation rate. The pullback velocity in turn depends on the nucleation rate resulting in a prediction for the relationship between pullback velocity and flow stress. The theory is compared to results from Cu on Cu gas-gun experiments (10-50 GPa) with different microstructures. The scaling law relating pullback velocity and impact velocity is incorporated into a 1D finite difference code and is shown to reproduce the experimental data with one adjustable parameter, the nucleation exponent, Γ.

In situ optical microscopy of the martensitic phase transformation of lithium

NASA Astrophysics Data System (ADS)

Krystian, M.; Pichl, W.

2000-12-01

The phase transformation of lithium was investigated by in situ optical microscopy in a helium cryostat. The martensite microstructure is composed of irregular segments which grow in rapid bursts from many nuclei to a final size of 10 to 20 μm and then are immobilized. A major part of the segments is arranged in groups of parallel lamellas. A theoretical consideration of lattice compatibility predicts the existence of an almost perfectly coherent habit-plane interface between bcc and 9R in lithium. Therefore, the irregular microstructure is interpreted by the presence of the disordered polytype phase. Comparison with an earlier investigation in comparably impure lithium indicates a strong influence of impurities on the transformation mechanism. The connections between the low-temperature phase diagram, the geometrical compatibility condition, and the martensite microstructure are discussed.

Prediction of Fracture Behavior in Rock and Rock-like Materials Using Discrete Element Models

NASA Astrophysics Data System (ADS)

Katsaga, T.; Young, P.

2009-05-01

The study of fracture initiation and propagation in heterogeneous materials such as rock and rock-like materials are of principal interest in the field of rock mechanics and rock engineering. It is crucial to study and investigate failure prediction and safety measures in civil and mining structures. Our work offers a practical approach to predict fracture behaviour using discrete element models. In this approach, the microstructures of materials are presented through the combination of clusters of bonded particles with different inter-cluster particle and bond properties, and intra-cluster bond properties. The geometry of clusters is transferred from information available from thin sections, computed tomography (CT) images and other visual presentation of the modeled material using customized AutoCAD built-in dialog- based Visual Basic Application. Exact microstructures of the tested sample, including fractures, faults, inclusions and void spaces can be duplicated in the discrete element models. Although the microstructural fabrics of rocks and rock-like structures may have different scale, fracture formation and propagation through these materials are alike and will follow similar mechanics. Synthetic material provides an excellent condition for validating the modelling approaches, as fracture behaviours are known with the well-defined composite's properties. Calibration of the macro-properties of matrix material and inclusions (aggregates), were followed with the overall mechanical material responses calibration by adjusting the interfacial properties. The discrete element model predicted similar fracture propagation features and path as that of the real sample material. The path of the fractures and matrix-inclusion interaction was compared using computed tomography images. Initiation and fracture formation in the model and real material were compared using Acoustic Emission data. Analysing the temporal and spatial evolution of AE events, collected during the sample testing, in relation to the CT images allows the precise reconstruction of the failure sequence. Our proposed modelling approach illustrates realistic fracture formation and growth predictions at different loading conditions.

Impact of pore space topology on permeability, cut-off frequencies and validity of wave propagation theories

NASA Astrophysics Data System (ADS)

Sarout, Joël.

2012-04-01

For the first time, a comprehensive and quantitative analysis of the domains of validity of popular wave propagation theories for porous/cracked media is provided. The case of a simple, yet versatile rock microstructure is detailed. The microstructural parameters controlling the applicability of the scattering theories, the effective medium theories, the quasi-static (Gassmann limit) and dynamic (inertial) poroelasticity are analysed in terms of pores/cracks characteristic size, geometry and connectivity. To this end, a new permeability model is devised combining the hydraulic radius and percolation concepts. The predictions of this model are compared to published micromechanical models of permeability for the limiting cases of capillary tubes and penny-shaped cracks. It is also compared to published experimental data on natural rocks in these limiting cases. It explicitly accounts for pore space topology around the percolation threshold and far above it. Thanks to this permeability model, the scattering, squirt-flow and Biot cut-off frequencies are quantitatively compared. This comparison leads to an explicit mapping of the domains of validity of these wave propagation theories as a function of the rock's actual microstructure. How this mapping impacts seismic, geophysical and ultrasonic wave velocity data interpretation is discussed. The methodology demonstrated here and the outcomes of this analysis are meant to constitute a quantitative guide for the selection of the most suitable modelling strategy to be employed for prediction and/or interpretation of rocks elastic properties in laboratory-or field-scale applications when information regarding the rock's microstructure is available.

A semi-phenomenological model to predict the acoustic behavior of fully and partially reticulated polyurethane foams

NASA Astrophysics Data System (ADS)

Doutres, Olivier; Atalla, Noureddine; Dong, Kevin

2013-02-01

This paper proposes simple semi-phenomenological models to predict the sound absorption efficiency of highly porous polyurethane foams from microstructure characterization. In a previous paper [J. Appl. Phys. 110, 064901 (2011)], the authors presented a 3-parameter semi-phenomenological model linking the microstructure properties of fully and partially reticulated isotropic polyurethane foams (i.e., strut length l, strut thickness t, and reticulation rate Rw) to the macroscopic non-acoustic parameters involved in the classical Johnson-Champoux-Allard model (i.e., porosity ϕ, airflow resistivity σ, tortuosity α∝, viscous Λ, and thermal Λ' characteristic lengths). The model was based on existing scaling laws, validated for fully reticulated polyurethane foams, and improved using both geometrical and empirical approaches to account for the presence of membrane closing the pores. This 3-parameter model is applied to six polyurethane foams in this paper and is found highly sensitive to the microstructure characterization; particularly to strut's dimensions. A simplified micro-/macro model is then presented. It is based on the cell size Cs and reticulation rate Rw only, assuming that the geometric ratio between strut length l and strut thickness t is known. This simplified model, called the 2-parameter model, considerably simplifies the microstructure characterization procedure. A comparison of the two proposed semi-phenomenological models is presented using six polyurethane foams being either fully or partially reticulated, isotropic or anisotropic. It is shown that the 2-parameter model is less sensitive to measurement uncertainties compared to the original model and allows a better estimation of polyurethane foams sound absorption behavior.

Metal/ceramic composites via infiltration of an interconnected wood-derived ceramic

NASA Astrophysics Data System (ADS)

Wilkes, Thomas E.

The use of composites is increasing as they afford scientists and engineers the ability to combine the advantageous properties of each constituent phase, e.g. metal ductility and ceramic stiffness. With respect to materials design, biomimetics is garnering increasing attention due to the complex, yet efficient, natural microstructures. One such biomimetic, or in this case 'bio-derived,' curiosity is wood-derived ceramic, which is made by either replicating or converting wood into a ceramic. The resulting porous and anisotropic material retains the precursor microstructure. The wide variety of precursors can yield materials with a range of pore sizes and distribution of pores. The purpose of this work was to study the processing, microstructure, and properties of aluminum/silicon carbide composites. The composites were made by infiltrating molten aluminum into porous wood-derived SIC, which was produced by the reactive melt-infiltration of silicon into pyrolyzed wood. The composite microstructure consisted of interconnected SiC surrounding Al-alloy 'fibers.' The strength, modulus, and toughness were measured in both longitudinal and transverse orientations. The Al → SiC load transfer was investigated with high-energy X-ray diffraction in combination with in-situ compressive loading. The properties in flexure were found to decrease with increasing temperature. Despite the complex microstructure, predictions of the composite flexural modulus and longitudinal fracture toughness were obtained using simple models: Halpin-Tsai bounds and the Ashby et al. model of the effect of ductile particle-reinforcements on the toughness of brittle materials (Ashby et al. 1989), respectively. In addition, the Al/SiC research inspired the investigation of carbon-reinforced copper composites. The goal was to explore the feasibility of making a high-thermal conductivity composite by infiltrating copper into wood-derived carbon. Results indicated that Cu/C composites could be made with pressurized infiltration, but the predicted thermal conductivity was low due to the amorphous wood-derived carbon.

PuMA: the Porous Microstructure Analysis software

NASA Astrophysics Data System (ADS)

Ferguson, Joseph C.; Panerai, Francesco; Borner, Arnaud; Mansour, Nagi N.

2018-01-01

The Porous Microstructure Analysis (PuMA) software has been developed in order to compute effective material properties and perform material response simulations on digitized microstructures of porous media. PuMA is able to import digital three-dimensional images obtained from X-ray microtomography or to generate artificial microstructures. PuMA also provides a module for interactive 3D visualizations. Version 2.1 includes modules to compute porosity, volume fractions, and surface area. Two finite difference Laplace solvers have been implemented to compute the continuum tortuosity factor, effective thermal conductivity, and effective electrical conductivity. A random method has been developed to compute tortuosity factors from the continuum to rarefied regimes. Representative elementary volume analysis can be performed on each property. The software also includes a time-dependent, particle-based model for the oxidation of fibrous materials. PuMA was developed for Linux operating systems and is available as a NASA software under a US & Foreign release.

Nucleation and microstructure development in Cr-Mo-V tool steel during gas atomization

NASA Astrophysics Data System (ADS)

Behúlová, M.; Grgač, P.; Čička, R.

2017-11-01

Nucleation studies of undercooled metallic melts are of essential interest for the understanding of phase selection, growth kinetics and microstructure development during their rapid non-equilibrium solidification. The paper deals with the modelling of nucleation processes and microstructure development in the hypoeutectic tool steel Ch12MF4 with the chemical composition of 2.37% C, 12.06 % Cr, 1.2% Mo, 4.0% V and balance Fe [wt. %] in the process of nitrogen gas atomization. Based on the classical theory of homogeneous nucleation, the nucleation temperature of molten rapidly cooled spherical particles from this alloy with diameter from 40 μm to 600 μm in the gas atomization process is calculated using various estimations of parameters influencing the nucleation process - the Gibbs free energy difference between solid and liquid phases and the solid/liquid interfacial energy. Results of numerical calculations are compared with experimentally measured nucleation temperatures during levitation experiments and microstructures developed in rapidly solidified powder particles from the investigated alloy.

Computational simulation of weld microstructure and distortion by considering process mechanics

NASA Astrophysics Data System (ADS)

Mochizuki, M.; Mikami, Y.; Okano, S.; Itoh, S.

2009-05-01

Highly precise fabrication of welded materials is in great demand, and so microstructure and distortion controls are essential. Furthermore, consideration of process mechanics is important for intelligent fabrication. In this study, the microstructure and hardness distribution in multi-pass weld metal are evaluated by computational simulations under the conditions of multiple heat cycles and phase transformation. Because conventional CCT diagrams of weld metal are not available even for single-pass weld metal, new diagrams for multi-pass weld metals are created. The weld microstructure and hardness distribution are precisely predicted when using the created CCT diagram for multi-pass weld metal and calculating the weld thermal cycle. Weld distortion is also investigated by using numerical simulation with a thermal elastic-plastic analysis. In conventional evaluations of weld distortion, the average heat input has been used as the dominant parameter; however, it is difficult to consider the effect of molten pool configurations on weld distortion based only on the heat input. Thus, the effect of welding process conditions on weld distortion is studied by considering molten pool configurations, determined by temperature distribution and history.

Small strain multiphase-field model accounting for configurational forces and mechanical jump conditions

NASA Astrophysics Data System (ADS)

Schneider, Daniel; Schoof, Ephraim; Tschukin, Oleg; Reiter, Andreas; Herrmann, Christoph; Schwab, Felix; Selzer, Michael; Nestler, Britta

2018-03-01

Computational models based on the phase-field method have become an essential tool in material science and physics in order to investigate materials with complex microstructures. The models typically operate on a mesoscopic length scale resolving structural changes of the material and provide valuable information about the evolution of microstructures and mechanical property relations. For many interesting and important phenomena, such as martensitic phase transformation, mechanical driving forces play an important role in the evolution of microstructures. In order to investigate such physical processes, an accurate calculation of the stresses and the strain energy in the transition region is indispensable. We recall a multiphase-field elasticity model based on the force balance and the Hadamard jump condition at the interface. We show the quantitative characteristics of the model by comparing the stresses, strains and configurational forces with theoretical predictions in two-phase cases and with results from sharp interface calculations in a multiphase case. As an application, we choose the martensitic phase transformation process in multigrain systems and demonstrate the influence of the local homogenization scheme within the transition regions on the resulting microstructures.

The Index of Narrative Microstructure: A Clinical Tool for Analyzing School-Age Children's Narrative Performances

ERIC Educational Resources Information Center

Justice, Laura M.; Bowles, Ryan P.; Kaderavek, Joan N.; Ukrainetz, Teresa A.; Eisenberg, Sarita L.; Gillam, Ronald B.

2006-01-01

Purpose: This research was conducted to develop a clinical tool--the Index of Narrative Microstructure (INMIS)--that would parsimoniously account for important microstructural aspects of narrative production for school-age children. The study provides field test age- and grade-based INMIS values to aid clinicians in making normative judgments…

Microstructure and Mechanical Properties of Extruded Gamma Met PX

NASA Technical Reports Server (NTRS)

Draper, S. L.; Das, G.; Locci, I.; Whittenberger, J. D.; Lerch, B. A.; Kestler, H.

2003-01-01

A gamma TiAl alloy with a high Nb content is being assessed as a compressor blade material. The microstructure and mechanical properties of extruded Ti-45Al-X(Nb,B,C) (at %) were evaluated in both an as-extruded condition and after a lamellar heat treatment. Tensile behavior of both as-extruded and lamellar heat treated specimens was studied in the temperature range of RT to 926 C. In general, the yield stress and ultimate tensile strength reached relatively high values at room temperature and decreased with increasing deformation temperature. The fatigue strength of both microstructures was characterized at 650 C and compared to a baseline TiAl alloy and to a Ni-base superalloy. Tensile and fatigue specimens were also exposed to 800 C for 200 h in air to evaluate the alloy's environmental resistance. A decrease in ductility was observed at room temperature due to the 800 C exposure but the 650 C fatigue properties were unaffected. Compressive and tensile creep testing between 727 and 1027 C revealed that the creep deformation was reproducible and predictable. Creep strengths reached superalloy-like levels at fast strain rates and lower temperatures but deformation at slower strain rates and/or higher temperature indicated significant weakening for the as-extruded condition. At high temperatures and low stresses, the lamellar microstructure had improved creep properties when compared to the as-extruded material. Microstructural evolution during heat treatment, identification of various phases, and the effect of microstructure on the tensile, fatigue, and creep behaviors is discussed.

Correlating shaped charge performance with processing conditions and microstructure of an aluminum alloy 1100 liner enabled by a new method to arrest nascent jet formation

NASA Astrophysics Data System (ADS)

Scheid, James Eric

Aluminum-lined shaped charges are used in special applications where jet and / or slug residue in the target is undesired. The three different microstructures of the aluminum liners studied herein resulted from three different manufacturing interpretations of the same design. One interpretation was completely machining the liners from best available annealed round stock. The second was to cold-forge the liners from annealed round-stock in an open-die forge to near-final dimensions, and then machine the liners to the final dimensions. The third variant in this study was to use the above forged liner, but with annealing after the machining. These three manufacturing choices resulted in significant variations in shaped charge performance. The goal of this research was to clarify the relationships between the liner metal microstructure and properties, and the corresponding shaped charge dynamic flow behavior. What began as an investigation into user-reported performance problems associated inherently with liner manufacturing processes and resultant microstructure, resolved into new understandings of the relationships between aluminum liner microstructure and shaped charge collapse kinetics. This understanding was achieved through an extensive literature review and the comprehensive characterization of the material properties of three variants of an 1100 aluminum shaped charge liner with a focus on collapse and nascent jet formation. The machined liner had a microstructure with large millimeter-sized grains and fine particles aligned in bands parallel to the charge axis. The forged liner microstructure consisted of very small one micrometer-sized (1 mum) subgrains and fine particles aligned largely in bands elongated parallel to the liner contour. The annealed liner was characterized by ten micrometer (10 mum) sized equiaxed grains with residual fine particles in the forged alignment. This characterization was enabled by the development, execution and validation of a custom explosive experiment that delivered meaningful, full-scale shock deformed samples for analysis. The experiment arrested the collapse of actual, as-fabricated liners in the first microseconds of development. This experiment, performed with only 2% of the explosive mass of the full charge, revealed new insights into material-dependent variations in liner collapse including a striking image of the formation of a shaped charge jet axial hole. The highly strain-hardened and elongated forged liner was the best performer of the three. Less energy from the explosive was dissipated by dislocation generation. This translated to more efficient flow whereas the softer materials behaved as shock absorbers delaying flow. A set of hypotheses was formulated and critiqued based on these observations. The key findings were the effects of grain size, and shear bands induced in the microstructure through cold work enabled efficient liner flow. These bands provide highly localized dislocation highways enabling the matrix adjacent to the bands to deform plastically at higher velocity. Where such bands are unavailable, the pressure must first develop bands of smaller grains, thus decreasing energy available for flow. Collapse velocities were then associated with the number of shear bands, the organization of mobile dislocations, material strain, and liner geometry. Microstructures with the ability to deform with the direction of liner collapse at lower stresses will form jets with a higher velocity and elongate earlier. The effect is higher performance at shorter standoffs. This relationship can be used to predict material behavior under explosive load, guiding engineering choices while designing with respect to anticipated shock loading. The explosive experiment designed here has obvious application in refining the performance of other warheads, and in the hydrodynamic modeling of material properties.

DOE Final Report: A Unified Understanding of Residual Stress in Thin Films: Kinetic Models, Experiments and Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chason, Eric

Thin films are critical for a wide range of advanced technologies. However, the deposited films often have high levels of residual stress that can limit their performance or lead to failure. The stress is known to depend on many variables, including the processing conditions, type of material, deposition technique and the film’s microstructure. The goal of this DOE program was to develop a fundamental understanding of how the different processes that control thin film growth under different conditions can be related to the development of stress. In the program, systematic experiments were performed or analyzed that related the stress tomore » the processing conditions that were used. Measurements of stress were obtained for films that were grown at different rates, different solutions (for electrodeposition), different particle energies (for sputter deposition) and different microstructures. Based on this data, models were developed to explain the observed dependence on the different parameters. The models were based on considering the balance among different stress-inducing mechanism occurring as the film grows (for both non-energetic and energetic deposition). Comparison of the model predictions with the experiments enabled the kinetic parameters to be determined for different materials. The resulting model equations provide a comprehensive picture of how stress changes with the processing conditions that can be used to optimize the growth of thin films.« less

Experimental studies of Micro- and Nano-grained UO 2: Grain Growth Behavior, Sufrace Morphology, and Fracture Toughness

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miao, Yinbin; Mo, Kun; Jamison, Laura M.

This activity is supported by the US Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Product Line (FPL) and aims at providing experimental data for the validation of the mesoscale simulation code MARMOT. MARMOT is a mesoscale multiphysics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. It is an important component of the Moose-Bison-Marmot (MBM) code suite that has been developed by Idaho National Laboratory (INL) to enable next generation fuel performance modeling capability as part of the NEAMS Program FPL. In order to ensure the accuracy of the microstructure-basedmore » materials models being developed within the MARMOT code, extensive validation efforts must be carried out. In this report, we summarize the experimental efforts in FY16 including the following important experiments: (1) in-situ grain growth measurement of nano-grained UO 2; (2) investigation of surface morphology in micrograined UO 2; (3) Nano-indentation experiments on nano- and micro-grained UO 2. The highlight of this year is: we have successfully demonstrated our capability to in-situ measure grain size development while maintaining the stoichiometry of nano-grained UO 2 materials; the experiment is, for the first time, using synchrotron X-ray diffraction to in-situ measure grain growth behavior of UO 2.« less

Advanced composite applications for sub-micron biologically derived microstructures

NASA Technical Reports Server (NTRS)

Schnur, J. M.; Price, R. R.; Schoen, P. E.; Bonanventura, Joseph; Kirkpatrick, Douglas

1991-01-01

A major thrust of advanced material development is in the area of self-assembled ultra-fine particulate based composites (micro-composites). The application of biologically derived, self-assembled microstructures to form advanced composite materials is discussed. Hollow 0.5 micron diameter cylindrical shaped microcylinders self-assemble from diacetylenic lipids. These microstructures have a multiplicity of potential applications in the material sciences. Exploratory development is proceeding in application areas such as controlled release for drug delivery, wound repair, and biofouling as well as composites for electronic and magnetic applications, and high power microwave cathodes.

Realistic micromechanical modeling and simulation of two-phase heterogeneous materials

NASA Astrophysics Data System (ADS)

Sreeranganathan, Arun

This dissertation research focuses on micromechanical modeling and simulations of two-phase heterogeneous materials exhibiting anisotropic and non-uniform microstructures with long-range spatial correlations. Completed work involves development of methodologies for realistic micromechanical analyses of materials using a combination of stereological techniques, two- and three-dimensional digital image processing, and finite element based modeling tools. The methodologies are developed via its applications to two technologically important material systems, namely, discontinuously reinforced aluminum composites containing silicon carbide particles as reinforcement, and boron modified titanium alloys containing in situ formed titanium boride whiskers. Microstructural attributes such as the shape, size, volume fraction, and spatial distribution of the reinforcement phase in these materials were incorporated in the models without any simplifying assumptions. Instrumented indentation was used to determine the constitutive properties of individual microstructural phases. Micromechanical analyses were performed using realistic 2D and 3D models and the results were compared with experimental data. Results indicated that 2D models fail to capture the deformation behavior of these materials and 3D analyses are required for realistic simulations. The effect of clustering of silicon carbide particles and associated porosity on the mechanical response of discontinuously reinforced aluminum composites was investigated using 3D models. Parametric studies were carried out using computer simulated microstructures incorporating realistic microstructural attributes. The intrinsic merit of this research is the development and integration of the required enabling techniques and methodologies for representation, modeling, and simulations of complex geometry of microstructures in two- and three-dimensional space facilitating better understanding of the effects of microstructural geometry on the mechanical behavior of materials.

Microstructure Characterization of Al-TiC Surface Composite Fabricated by Friction Stir Processing

NASA Astrophysics Data System (ADS)

Shiva, Apireddi; Cheepu, Muralimohan; Charan Kantumuchu, Venkata; Kumar, K. Ravi; Venkateswarlu, D.; Srinivas, B.; Jerome, S.

2018-03-01

Titanium carbide (TiC) is an exceedingly hard and wear refractory ceramic material. The surface properties of the material are very important and the corrosion, wear and fatigue resistance behaviour determines its ability and applications. It is necessary to modify the surface properties of the materials to enhance their performance. The present work aims on developing a new surface composite using commercially pure aluminum and TiC reinforcement powder with a significant fabrication technique called friction stir processing (FSP). The metal matrix composite of Al/TiC has been developed without any defects formation to investigate the particles distribution in the composite, microstructural changes and mechanical properties of the material. The microstructural observations exhibited that the grain refinement in the nugget compared to the base metal and FSP without TiC particles. The developed composite properties showed substantial improvement in micro-hardness, friction factor, wear resistance and microstructural characteristics in comparison to parent metal. On the other side, the ductility of the composite specimens was diminished over the substrate. The FSPed specimens were characterised using X-ray diffraction technique and revealed that the formation of AlTi compounds and the presence of Ti phases in the matrix. The microstructures of the samples illustrated the uniform distribution of particles in the newly developed metal matrix composite.

PROGRESS IN THE STUDY OF ION IRRADIATION IN TUNGSTEN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Weilin; Kruska, Karen; Henager, Charles H.

2017-02-27

The experimental study intends to generate data to validate the theoretical predictions on defect accumulation and recovery, as well as to investigate microstructural evolution and transmutant precipitation in mono- and poly-crystalline tungsten using ion implantation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deibler, Lisa Anne; Brown, Arthur; Puskar, Joseph D.

Drawn 304L stainless steel tubing was subjected to 42 different annealing heat treatments with the goal of initializing a microstructural model to select a heat treatment to soften the tubing from a hardness of 305 Knoop to 225–275 Knoop. The amount of recrystallization and grain size caused by 18 heat treatments were analyzed via optical microscopy and image analysis, revealing the full range of recrystallization from 0 to 100%. The formation of carbides during the longer duration and higher-temperature heat treatments was monitored via transmission electron microscope evaluation. The experimental results informed a model which includes recovery, recrystallization, and grainmore » growth to predict microstructure and hardness. After initialization of the model, it was able to predict hardness with a R 2 value of 0.95 and recrystallization with an R 2 value of 0.99. As a result, the model was then utilized in the design and testing of a heat treatment to soften the tubing.« less