Multiple magnetic scattering in small-angle neutron scattering of Nd-Fe-B nanocrystalline magnet.

PubMed

Ueno, Tetsuro; Saito, Kotaro; Yano, Masao; Ito, Masaaki; Shoji, Tetsuya; Sakuma, Noritsugu; Kato, Akira; Manabe, Akira; Hashimoto, Ai; Gilbert, Elliot P; Keiderling, Uwe; Ono, Kanta

2016-06-20

We have investigated the influence of multiple scattering on the magnetic small-angle neutron scattering (SANS) from a Nd-Fe-B nanocrystalline magnet. We performed sample-thickness- and neutron-wavelength-dependent SANS measurements, and observed the scattering vector dependence of the multiple magnetic scattering. It is revealed that significant multiple scattering exists in the magnetic scattering rather than the nuclear scattering of Nd-Fe-B nanocrystalline magnet. It is considered that the mean free path of the neutrons for magnetic scattering is rather short in Nd-Fe-B magnets. We analysed the SANS data by the phenomenological magnetic correlation model considering the magnetic microstructures and obtained the microstructural parameters.

Multiple magnetic scattering in small-angle neutron scattering of Nd–Fe–B nanocrystalline magnet

PubMed Central

Ueno, Tetsuro; Saito, Kotaro; Yano, Masao; Ito, Masaaki; Shoji, Tetsuya; Sakuma, Noritsugu; Kato, Akira; Manabe, Akira; Hashimoto, Ai; Gilbert, Elliot P.; Keiderling, Uwe; Ono, Kanta

2016-01-01

We have investigated the influence of multiple scattering on the magnetic small-angle neutron scattering (SANS) from a Nd–Fe–B nanocrystalline magnet. We performed sample-thickness- and neutron-wavelength-dependent SANS measurements, and observed the scattering vector dependence of the multiple magnetic scattering. It is revealed that significant multiple scattering exists in the magnetic scattering rather than the nuclear scattering of Nd–Fe–B nanocrystalline magnet. It is considered that the mean free path of the neutrons for magnetic scattering is rather short in Nd–Fe–B magnets. We analysed the SANS data by the phenomenological magnetic correlation model considering the magnetic microstructures and obtained the microstructural parameters. PMID:27321149

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.

Effect of lattice-mismatch-induced strains on coupled diffusive and displacive phase transformations

NASA Astrophysics Data System (ADS)

Bouville, Mathieu; Ahluwalia, Rajeev

2007-02-01

Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams, continuous cooling transformation (CCT) diagrams, and microstructure formation of these alloys. In some material systems there can exist an intrinsic volume change associated with these transformations. We show that these coherency strains can stabilize mixed microstructures (such as retained austenite-martensite and pearlite-martensite mixtures) by an interplay between diffusive and displacive mechanisms, which can alter TTT and CCT diagrams. Depending on the conditions there can be competitive or cooperative nucleation of the two kinds of phases. The model also shows that small differences in volume changes can have noticeable effects on the early stages of martensite formation and on the resulting microstructures.

Analyses of Fatigue and Fatigue-Crack Growth under Constant- and Variable-Amplitude Loading

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.

1999-01-01

Studies on the growth of small cracks have led to the observation that fatigue life of many engineering materials is primarily crack growth from micro-structural features, such as inclusion particles, voids, slip-bands or from manufacturing defects. This paper reviews the capabilities of a plasticity-induced crack-closure model to predict fatigue lives of metallic materials using small-crack theory under various loading conditions. Constraint factors, to account for three-dimensional effects, were selected to correlate large-crack growth rate data as a function of the effective stress-intensity factor range (delta K(sub eff)) under constant-amplitude loading. Modifications to the delta K(sub eff)-rate relations in the near-threshold regime were needed to fit measured small-crack growth rate behavior. The model was then used to calculate small- and large-crack growth rates, and to predict total fatigue lives, for notched and un-notched specimens under constant-amplitude and spectrum loading. Fatigue lives were predicted using crack-growth relations and micro-structural features like those that initiated cracks in the fatigue specimens for most of the materials analyzed. Results from the tests and analyses agreed well.

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.

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.

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

Analysis of Particle-Stimulated Nucleation (PSN)-Dominated Recrystallization for Hot-Rolled 7050 Aluminum Alloy

NASA Astrophysics Data System (ADS)

Adam, Khaled F.; Long, Zhengdong; Field, David P.

2017-04-01

In 7xxx series aluminum alloys, the constituent large and small second-phase particles present during deformation process. The fraction and spatial distribution of these second-phase particles significantly influence the recrystallized structure, kinetics, and texture in the subsequent treatment. In the present work, the Monte Carlo Potts model was used to model particle-stimulated nucleation (PSN)-dominated recrystallization and grain growth in high-strength aluminum alloy 7050. The driving force for recrystallization is deformation-induced stored energy, which is also strongly affected by the coarse particle distribution. The actual microstructure and particle distribution of hot-rolled plate were used as an initial point for modeling of recrystallization during the subsequent solution heat treatment. Measurements from bright-field TEM images were performed to enhance qualitative interpretations of the developed microstructure. The influence of texture inhomogeneity has been demonstrated from a theoretical point of view using pole figures. Additionally, in situ annealing measurements in SEM were performed to track the orientational and microstructural changes and to provide experimental support for the recrystallization mechanism of PSN in AA7050.

In Situ Imaging during Compression of Plastic Bonded Explosives for Damage Modeling

NASA Astrophysics Data System (ADS)

Yeager, John; Manner, Virginia; Patterson, Brian; Walters, David; Cordes, Nikolaus; Henderson, Kevin; Tappan, Bryce; Luscher, Darby

2017-06-01

The microstructure of plastic bonded explosives (PBXs) is known to influence behavior during insults such as deformation, heating or initiation to detonation. Obtaining three-dimensional microstructural data can be difficult due in part to fragility of the material and small feature size. X-ray computed tomography (CT) is an ideal characterization technique but the explosive crystals and binder in formulations such as PBX 9501 do not have sufficient x-ray contrast to differentiate between the components. Here, we have formulated several PBXs using octahydro-1,3,5,7-tetranitro-1,3,5,7- tetrazocine (HMX) crystals and low-density binder systems. The full three-dimensional microstructure of these samples has been characterized using microscale CT during uniaxial mechanical compression in an interrupted in situ modality. The rigidity of the binder was observed to significantly influence fracture, crystal-binder delamination, and material flow. Additionally, the segmented, 3D images were meshed for finite element simulation. Initial results of the mesoscale modeling exhibit qualitatively similar delamination. Los Alamos National Laboratory - LDRD.

The Influence of Inspection Angle, Wave Type and Beam Shape on Signal-to-Noise Ratios in Ultrasonic Pitch-Catch Inspections

NASA Astrophysics Data System (ADS)

Margetan, F. J.; Li, Anxiang; Thompson, R. B.

2007-03-01

Grain noise, which arises from the scattering of sound waves by microstructure, can limit the detection of small internal defects in metal components. Signal-to-noise (S/N) ratios for ultrasonic pitch/catch inspections are primarily determined by three factors: the scattering ability of the defect; the inherent noisiness of the microstructure (per unit volume); and finite-beam effects. An approximate single-scattering model has been formulated which contains terms representing each of these factors. In this paper the model is applied to a representative pitch/catch inspection problem, namely, the detection of a circular crack in a nickel cylinder. The object is to estimate S/N ratios for various choices of the inspection angle and sonic wave types, and to demonstrate how S/N is determined by the interplay of the defect, microstructure, and finite-beam factors. We also explore how S/N is influenced by the sizes, shapes, and orientations of the transmitter and receiver sound beams.

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

Effect of material inhomogeneity on the cyclic plastic deformation behavior at the microstructural level: micromechanics-based modeling of dual-phase steel

NASA Astrophysics Data System (ADS)

Paul, Surajit Kumar

2013-07-01

The microstructure of dual-phase (DP) steels typically consists of a soft ferrite matrix with dispersed islands of hard martensite phase. Due to the composite effect of ferrite and martensite, DP steels exhibit a unique combination of strain hardening, strength and ductility. A microstructure-based micromechanical modeling approach is adopted in this work to capture the tensile and cyclic plastic deformation behavior of DP steel. During tensile straining, strain incompatibility between the softer ferrite matrix and the harder martensite phase arises due to a difference in the flow characteristics of these two phases. Microstructural-level inhomogeneity serves as the initial imperfection, triggering strain incompatibility, strain partitioning and finally shear band localization during tensile straining. The local deformation in the ferrite phase is constrained by adjacent martensite islands, which locally results in stress triaxiality development in the ferrite phase. As the martensite distribution varies within the microstructure, the stress triaxiality also varies in a band within the microstructure. Inhomogeneous stress and strain distribution within the softer ferrite phase arises even during small tensile straining because of material inhomogeneity. The magnitude of cyclic plastic deformation within the softer ferrite phase also varies according to the stress distribution in the first-quarter cycle tensile loading. Accumulation of tensile/compressive plastic strain with number of cycles is noted in different locations within the ferrite phase during both symmetric stress and strain controlled cycling. The basic mode of cyclic plastic deformation in an inhomogeneous material is cyclic strain accumulation, i.e. ratcheting. Microstructural inhomogeneity results in cyclic strain accumulation in the aggregate DP material even in symmetric stress cycling.

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.

Internal state variable plasticity-damage modeling of AISI 4140 steel including microstructure-property relations: temperature and strain rate effects

NASA Astrophysics Data System (ADS)

Nacif el Alaoui, Reda

Mechanical structure-property relations have been quantified for AISI 4140 steel. under different strain rates and temperatures. The structure-property relations were used. to calibrate a microstructure-based internal state variable plasticity-damage model for. monotonic tension, compression and torsion plasticity, as well as damage evolution. Strong stress state and temperature dependences were observed for the AISI 4140 steel. Tension tests on three different notched Bridgman specimens were undertaken to study. the damage-triaxiality dependence for model validation purposes. Fracture surface. analysis was performed using Scanning Electron Microscopy (SEM) to quantify the void. nucleation and void sizes in the different specimens. The stress-strain behavior exhibited. a fairly large applied stress state (tension, compression dependence, and torsion), a. moderate temperature dependence, and a relatively small strain rate dependence.

Microstructure Characterization Of Lead-Free Solders Depending On Alloy Composition

NASA Astrophysics Data System (ADS)

Panchenko, Iuliana; Mueller, Maik; Wolter, Klaus-Juergen

2010-11-01

Fatigue and crack nucleation in solder joints is basically associated with changes in the microstructure. Therefore the microstructure evolution of SnAgCu solder joints during solidification and subsequent application is an important subject for reliability investigations and physics of failure analysis. The scope of this study is a systematic overview of the as-cast microstructures in small sized lead-free SnAgCu solder spheres after solidification. A total of 32 alloy compositions have been investigated with varying Ag content from 0 to 5 wt.% and varying Cu content from 0 to 1.2 wt.%. The solder spheres had a diameter of approx. 270 μm and were all manufactured under the similar conditions. Subsequent cross-sectioning was carried out in order to analyze the microstructure by optical and electron microscopy as well as Electron Backscatter Diffraction and Energy Dispersive X-ray Spectroscopy. The results allow a comprehensive overview of the dependence of the as-cast microstructure on the solder composition. It is shown that strong changes in microstructure can be caused by small changes in solder composition. In addition, a solidification phenomenon known as cyclic twinning has been found in the samples. Three different microstructures related to that phenomenon will be presented and detailed characterizations of these structures are given in this study. These microstructures differ in their appearance by solidification morphology, phase distribution as well as grain structure and can be described as follows: 1. large dentritic areas of different grain orientations which are characterized by approx. 60° twin boundaries; 2. areas of small β-Sn cells with approx. 60° twin relation and larger intermetallic precipitates; 3. large grains consisting of a β-Sn matrix with very fine intermetallic precipitates and high angle grain boundaries between adjacent grains.

Characterization of the anisotropic mechanical behavior of human abdominal wall connective tissues.

PubMed

Astruc, Laure; De Meulaere, Maurice; Witz, Jean-François; Nováček, Vit; Turquier, Frédéric; Hoc, Thierry; Brieu, Mathias

2018-06-01

Abdominal wall sheathing tissues are commonly involved in hernia formation. However, there is very limited work studying mechanics of all tissues from the same donor which prevents a complete understanding of the abdominal wall behavior and the differences in these tissues. The aim of this study was to investigate the differences between the mechanical properties of the linea alba and the anterior and posterior rectus sheaths from a macroscopic point of view. Eight full-thickness human anterior abdominal walls of both genders were collected and longitudinal and transverse samples were harvested from the three sheathing connective tissues. The total of 398 uniaxial tensile tests was conducted and the mechanical characteristics of the behavior (tangent rigidities for small and large deformations) were determined. Statistical comparisons highlighted heterogeneity and non-linearity in behavior of the three tissues under both small and large deformations. High anisotropy was observed under small and large deformations with higher stress in the transverse direction. Variabilities in the mechanical properties of the linea alba according to the gender and location were also identified. Finally, data dispersion correlated with microstructure revealed that macroscopic characterization is not sufficient to fully describe behavior. Microstructure consideration is needed. These results provide a better understanding of the mechanical behavior of the abdominal wall sheathing tissues as well as the directions for microstructure-based constitutive model. Copyright © 2018 Elsevier Ltd. All rights reserved.

Using Antifreeze Proteins to understand ice microstructure evolution

NASA Astrophysics Data System (ADS)

Bayer-Giraldi, Maddalena; Azuma, Nobuhiko; Takata, Morimasa; Weikusat, Christian; Kondo, Hidemasa; Kipfstuhl, Sepp

2017-04-01

Polar ice sheets are considered a unique climate archive. The chemical analysis of its impurities and the development of its microstructure with depth give insight in past climate conditions as well as in the development of the ice sheet with time and deformation. Microstructural patterns like small grain size observed in specific depths are thought to be linked to the retarding effect of impurities on ice grain growth. Clear evidence of size or chemical composition of the impurities causing this effect is missing, but in this context a major role of nanoparticles has been suggested. In order to shed light on different mechanisms by which nanoparticles can control microstructure development we used antifreeze proteins (AFPs) as proxies for particles in ice. These proteins are small nanoparticles, approx. 5 nm in size, with the special characteristics of firmly binding to ice through several hydrogen bonds. We used AFPs from the sea-ice microalgae Fragilariopsis cylindrus (fcAFPs) in bubble-free, small-grained polycrystalline ice obtained by the phase-transition size refinement method. We explain how fcAFP bind to ice by presenting the 3-D-protein structure model inferred by X-ray structure analysis, and show the importance of the chemical interaction between particles and ice in controlling normal grain growth, comparing fcAFPs to other protein nanoparticles. We used modifications of fcAFPs for particle localization through fluorescence spectroscopy. Furthermore, the effect of fcAFPs on the driving factors for ice deformation during creep, i.e. on internal dislocations due to incorporation within the lattice and on the mobility of grain boundaries due to pinning, makes these proteins particularly interesting in studying the process of ice deformation.

On the homogenization of the acoustic wave propagation in perforated ducts of finite length for an inviscid and a viscous model.

PubMed

Semin, Adrien; Schmidt, Kersten

2018-02-01

The direct numerical simulation of the acoustic wave propagation in multiperforated absorbers with hundreds or thousands of tiny openings would result in a huge number of basis functions to resolve the microstructure. One is, however, primarily interested in effective and so homogenized transmission and absorption properties and how they are influenced by microstructure and its endpoints. For this, we introduce the surface homogenization that asymptotically decomposes the solution in a macroscopic part, a boundary layer corrector close to the interface and a near-field part close to its ends. The effective transmission and absorption properties are expressed by transmission conditions for the macroscopic solution on an infinitely thin interface and corner conditions at its endpoints to ensure the correct singular behaviour, which are intrinsic to the microstructure. We study and give details on the computation of the effective parameters for an inviscid and a viscous model and show their dependence on geometrical properties of the microstructure for the example of Helmholtz equation. Numerical experiments indicate that with the obtained macroscopic solution representation one can achieve an high accuracy for low and high porosities as well as for viscous boundary conditions while using only a small number of basis functions.

Microstructural Analysis and Rheological Modeling of Asphalt Mixtures Containing Recycled Asphalt Materials.

PubMed

Falchetto, Augusto Cannone; Moon, Ki Hoon; Wistuba, Michael P

2014-09-02

The use of recycled materials in pavement construction has seen, over the years, a significant increase closely associated with substantial economic and environmental benefits. During the past decades, many transportation agencies have evaluated the effect of adding Reclaimed Asphalt Pavement (RAP), and, more recently, Recycled Asphalt Shingles (RAS) on the performance of asphalt pavement, while limits were proposed on the amount of recycled materials which can be used. In this paper, the effect of adding RAP and RAS on the microstructural and low temperature properties of asphalt mixtures is investigated using digital image processing (DIP) and modeling of rheological data obtained with the Bending Beam Rheometer (BBR). Detailed information on the internal microstructure of asphalt mixtures is acquired based on digital images of small beam specimens and numerical estimations of spatial correlation functions. It is found that RAP increases the autocorrelation length (ACL) of the spatial distribution of aggregates, asphalt mastic and air voids phases, while an opposite trend is observed when RAS is included. Analogical and semi empirical models are used to back-calculate binder creep stiffness from mixture experimental data. Differences between back-calculated results and experimental data suggest limited or partial blending between new and aged binder.

Microstructural Analysis and Rheological Modeling of Asphalt Mixtures Containing Recycled Asphalt Materials

PubMed Central

Cannone Falchetto, Augusto; Moon, Ki Hoon; Wistuba, Michael P.

2014-01-01

The use of recycled materials in pavement construction has seen, over the years, a significant increase closely associated with substantial economic and environmental benefits. During the past decades, many transportation agencies have evaluated the effect of adding Reclaimed Asphalt Pavement (RAP), and, more recently, Recycled Asphalt Shingles (RAS) on the performance of asphalt pavement, while limits were proposed on the amount of recycled materials which can be used. In this paper, the effect of adding RAP and RAS on the microstructural and low temperature properties of asphalt mixtures is investigated using digital image processing (DIP) and modeling of rheological data obtained with the Bending Beam Rheometer (BBR). Detailed information on the internal microstructure of asphalt mixtures is acquired based on digital images of small beam specimens and numerical estimations of spatial correlation functions. It is found that RAP increases the autocorrelation length (ACL) of the spatial distribution of aggregates, asphalt mastic and air voids phases, while an opposite trend is observed when RAS is included. Analogical and semi empirical models are used to back-calculate binder creep stiffness from mixture experimental data. Differences between back-calculated results and experimental data suggest limited or partial blending between new and aged binder. PMID:28788190

Microstructure characterization of 316L deformed at high strain rates using EBSD

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

Yvell, K., E-mail: kyv@du.se

2016-12-15

Specimens from split Hopkinson pressure bar experiments, at strain rates between ~ 1000–9000 s{sup −1} at room temperature and 500 °C, have been studied using electron backscatter diffraction. No significant differences in the microstructures were observed at different strain rates, but were observed for different strains and temperatures. Size distribution for subgrains with boundary misorientations > 2° can be described as a bimodal lognormal area distribution. The distributions were found to change due to deformation. Part of the distribution describing the large subgrains decreased while the distribution for the small subgrains increased. This is in accordance with deformation being heterogeneousmore » and successively spreading into the undeformed part of individual grains. The variation of the average size for the small subgrain distribution varies with strain but not with strain rate in the tested interval. The mean free distance for dislocation slip, interpreted here as the average size of the distribution of small subgrains, displays a variation with plastic strain which is in accordance with the different stages in the stress-strain curves. The rate of deformation hardening in the linear hardening range is accurately calculated using the variation of the small subgrain size with strain. - Highlights: •Only changes in strain, not strain rate, gave differences in the microstructure. •A bimodal lognormal size distribution was found to describe the size distribution. •Variation of the subgrain fraction sizes agrees with models for heterogeneous slip. •Variation of subgrain size with strain describes part of the stress strain curve.« less

Discrete-element modeling of nacre-like materials: Effects of random microstructures on strain localization and mechanical performance

NASA Astrophysics Data System (ADS)

Abid, Najmul; Mirkhalaf, Mohammad; Barthelat, Francois

2018-03-01

Natural materials such as nacre, collagen, and spider silk are composed of staggered stiff and strong inclusions in a softer matrix. This type of hybrid microstructure results in remarkable combinations of stiffness, strength, and toughness and it now inspires novel classes of high-performance composites. However, the analytical and numerical approaches used to predict and optimize the mechanics of staggered composites often neglect statistical variations and inhomogeneities, which may have significant impacts on modulus, strength, and toughness. Here we present an analysis of localization using small representative volume elements (RVEs) and large scale statistical volume elements (SVEs) based on the discrete element method (DEM). DEM is an efficient numerical method which enabled the evaluation of more than 10,000 microstructures in this study, each including about 5,000 inclusions. The models explore the combined effects of statistics, inclusion arrangement, and interface properties. We find that statistical variations have a negative effect on all properties, in particular on the ductility and energy absorption because randomness precipitates the localization of deformations. However, the results also show that the negative effects of random microstructures can be offset by interfaces with large strain at failure accompanied by strain hardening. More specifically, this quantitative study reveals an optimal range of interface properties where the interfaces are the most effective at delaying localization. These findings show how carefully designed interfaces in bioinspired staggered composites can offset the negative effects of microstructural randomness, which is inherent to most current fabrication methods.

Fluid Mechanics and Heat Transfer of Liquid Precursor Droplets Injected into High-Temperature Plasmas

NASA Astrophysics Data System (ADS)

Basu, Saptarshi; Jordan, Eric H.; Cetegen, Baki M.

2008-03-01

Thermo-physical processes in liquid ceramic precursor droplets in plasma were modeled. Models include aerodynamic droplet break-up, droplet transport, as well as heat and mass transfer within individual droplets. Droplet size, solute concentration, and plasma temperature effects are studied. Results are discussed with the perspective of selecting processing conditions and injection parameters to obtain certain types of coating microstructures. Small droplets (<5 microns) are found to undergo volumetric precipitation and coating deposition with small unpyrolized material. Droplets can be made to undergo shear break-up by reducing surface tension and small droplets promote volumetric precipitation. Small particles reach substrate as molten splats resulting in denser coatings. Model predicts that larger droplets (>5 microns) tend to surface precipitate-forming shells with liquid core. They may be subjected to internal pressurization leading to shattering of shells and secondary atomization of liquid within. They arrive at the substrate as broken shells and unpyrolized material.

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.

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

Linking snowflake microstructure to multi-frequency radar observations

NASA Astrophysics Data System (ADS)

Leinonen, J.; Moisseev, D.; Nousiainen, T.

2013-04-01

Spherical or spheroidal particle shape models are commonly used to calculate numerically the radar backscattering properties of aggregate snowflakes. A more complicated and computationally intensive approach is to use detailed models of snowflake structure together with numerical scattering models that can operate on arbitrary particle shapes. Recent studies have shown that there can be significant differences between the results of these approaches. In this paper, an analytical model, based on the Rayleigh-Gans scattering theory, is formulated to explain this discrepancy in terms of the effect of discrete ice crystals that constitute the snowflake. The ice crystals cause small-scale inhomogeneities whose effects can be understood through the density autocorrelation function of the particle mass, which the Rayleigh-Gans theory connects to the function that gives the radar reflectivity as a function of frequency. The derived model is a weighted sum of two Gaussian functions. A term that corresponds to the average shape of the particle, similar to that given by the spheroidal shape model, dominates at low frequencies. At high frequencies, that term vanishes and is gradually replaced by the effect of the ice crystal monomers. The autocorrelation-based description of snowflake microstructure appears to be sufficient for multi-frequency radar studies. The link between multi-frequency radar observations and the particle microstructure can thus be used to infer particle properties from the observations.

Thermomechanical behavior of tin-rich (lead-free) solders

NASA Astrophysics Data System (ADS)

Sidhu, Rajen Singh

In order to adequately characterize the behavior of ball-grid-array (BGA) Pb-free solder spheres in electronic devices, the microstructure and thermomechanical behavior need to be studied. Microstructure characterization of pure Sn, Sn-0.7Cu, Sn-3.5Ag, and Sn-3.9Ag-0.7Cu alloys was conducted using optical microscopy, scanning electron microscopy, transmission electron microscopy, image analysis, and a novel serial sectioning 3D reconstruction process. Microstructure-based finite-element method (FEM) modeling of deformation in Sn-3.5Ag alloy was conducted, and it will be shown that this technique is more accurate when compared to traditional unit cell models for simulating and understanding material behavior. The effect of cooling rate on microstructure and creep behavior of bulk Sn-rich solders was studied. The creep behavior was evaluated at 25, 95, and 120°C. Faster cooling rates were found to increase the creep strength of the solders due to refinement of the solder microstructure. The creep behavior of Sn-rich single solder spheres reflowed on Cu substrates was studied at 25, 60, 95, and 130°C. Testing was conducted using a microforce testing system, with lap-shear geometry samples. The solder joints displayed two distinct creep behaviors: (a) precipitation-strengthening (Sn-3.5Ag and Sn-3.9Ag-0.7Cu) and (b) power law creep accommodated by grain boundary sliding (GBS) (Sn and Sn-0.7Cu). The relationship between microstructural features (i.e. intermetallic particle size and spacing), stress exponents, threshold stress, and activation energies are discussed. The relationship between small-length scale creep behavior and bulk behavior is also addressed. To better understand the damage evolution in Sn-rich solder joints during thermal fatigue, the local damage will be correlated to the cyclic hysteresis behavior and crystal orientations present in the Sn phase of solder joints. FEM modeling will also be utilized to better understand the macroscopic and local strain response of the lap shear geometry.

Application of ultra-small-angle X-ray scattering / X-ray photon correlation spectroscopy to relate equilibrium or non-equilibrium dynamics to microstructure

NASA Astrophysics Data System (ADS)

Allen, Andrew; Zhang, Fan; Levine, Lyle; Ilavsky, Jan

2013-03-01

Ultra-small-angle X-ray scattering (USAXS) can probe microstructures over the nanometer-to-micrometer scale range. Through use of a small instrument entrance slit, X-ray photon correlation spectroscopy (XPCS) exploits the partial coherence of an X-ray synchrotron undulator beam to provide unprecedented sensitivity to the dynamics of microstructural change. In USAXS/XPCS studies, the dynamics of local structures in a scale range of 100 nm to 1000 nm can be related to an overall hierarchical microstructure extending from 1 nm to more than 1000 nm. Using a point-detection scintillator mode, the equilibrium dynamics at ambient temperature of small particles (which move more slowly than nanoparticles) in aqueous suspension have been quantified directly for the first time. Using a USAXS-XPCS scanning mode for non-equilibrium dynamics incipient processes within dental composites have been elucidated, prior to effects becoming detectable using any other technique. Use of the Advanced Photon Source, an Office of Science User Facility operated for the United States Department of Energy (U.S. DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357.

Effect of annealing conditions on the microstructure and magnetic properties of sintered Nd-Fe-B magnets as seen by magnetic small-angle neutron scattering

NASA Astrophysics Data System (ADS)

Périgo, Élio A.; Titov, Ivan; Weber, Raoul; Mettus, Denis; Peral, Inma; Vallcorba, Oriol; Honecker, Dirk; Feoktystov, Artem; Michels, Andreas

2018-03-01

We have investigated the effect of the annealing conditions (heating rate and temperature) on the magnetic microstructure of sintered Nd-Fe-B magnets by means of magnetometry, scanning electron microscopy, high-energy synchrotron x-ray diffraction, and small-angle neutron scattering (SANS). While the temperature treatment has a strong effect on the coercivity (reduction by about 50% on annealing), the associated changes in the microstructure do surprisingly not show up (or at best only very weakly) in the neutron-scattering signal, which probes a mesoscopic real-space length scale ranging between about 1–300 nm. On the other hand, the x-ray data reveal microstructural changes in the Nd-rich phases, presumably due to modifications in grain-boundary regions. Moreover, we observe an unusual diamond-shaped angular anisotropy in the SANS cross section, which strongly points towards the existence of texture in the nuclear microstructure.

In-situ Observation of Cross-Sectional Microstructural Changes and Stress Distributions in Fracturing TiN Thin Film during Nanoindentation.

PubMed

Zeilinger, Angelika; Todt, Juraj; Krywka, Christina; Müller, Martin; Ecker, Werner; Sartory, Bernhard; Meindlhumer, Michael; Stefenelli, Mario; Daniel, Rostislav; Mitterer, Christian; Keckes, Jozef

2016-03-07

Load-displacement curves measured during indentation experiments on thin films depend on non-homogeneous intrinsic film microstructure and residual stress gradients as well as on their changes during indenter penetration into the material. To date, microstructural changes and local stress concentrations resulting in plastic deformation and fracture were quantified exclusively using numerical models which suffer from poor knowledge of size dependent material properties and the unknown intrinsic gradients. Here, we report the first in-situ characterization of microstructural changes and multi-axial stress distributions in a wedge-indented 9 μm thick nanocrystalline TiN film volume performed using synchrotron cross-sectional X-ray nanodiffraction. During the indentation, needle-like TiN crystallites are tilted up to 15 degrees away from the indenter axis in the imprint area and strongly anisotropic diffraction peak broadening indicates strain variation within the X-ray nanoprobe caused by gradients of giant compressive stresses. The morphology of the multiaxial stress distributions with local concentrations up to -16.5 GPa correlate well with the observed fracture modes. The crack growth is influenced decisively by the film microstructure, especially by the micro- and nano-scopic interfaces. This novel experimental approach offers the capability to interpret indentation response and indenter imprint morphology of small graded nanostructured features.

Influence of Heating Rate on Ferrite Recrystallization and Austenite Formation in Cold-Rolled Microalloyed Dual-Phase Steels

NASA Astrophysics Data System (ADS)

Philippot, C.; Bellavoine, M.; Dumont, M.; Hoummada, K.; Drillet, J.; Hebert, V.; Maugis, P.

2018-01-01

Compared with other dual-phase (DP) steels, initial microstructures of cold-rolled martensite-ferrite have scarcely been investigated, even though they represent a promising industrial alternative to conventional ferrite-pearlite cold-rolled microstructures. In this study, the influence of the heating rate (over the range of 1 to 10 K/s) on the development of microstructures in a microalloyed DP steel is investigated; this includes the tempering of martensite, precipitation of microalloying elements, recrystallization, and austenite formation. This study points out the influence of the degree of ferrite recrystallization prior to the austenite formation, as well as the importance of the cementite distribution. A low heating rate giving a high degree of recrystallization, leads to the formation of coarse austenite grains that are homogenously distributed in the ferrite matrix. However, a high heating rate leading to a low recrystallization degree, results in a banded-like structure with small austenite grains surrounded by large ferrite grains. A combined approach, involving relevant multiscale microstructural characterization and modeling to rationalize the effect of the coupled processes, highlights the role of the cold-worked initial microstructure, here a martensite-ferrite mixture: recrystallization and austenite formation commence in the former martensite islands before extending in the rest of the material.

What Actually Happens When Granular Materials Deform Under Shear: A Look Within

NASA Astrophysics Data System (ADS)

Viggiani, C.

2012-12-01

We all know that geomaterials (soil and rock) are composed of particles. However, when dealing with them, we often use continuum models, which ignore particles and make use of abstract variables such stress and strain. Continuum mechanics is the classical tool that geotechnical engineers have always used for their everyday calculations: estimating settlements of an embankment, the deformation of a sheet pile wall, the stability of a dam or a foundation, etc. History tells us that, in general, this works fine. While we are happily ignoring particles, they will at times come back to haunt us. This happens when deformation is localized in regions so small that the detail of the soil's (or rock's) particular structure cannot safely be ignored. Failure is the perfect example of this. Researchers in geomechanics (and more generally in solid mechanics) have long since known that all classical continuum models typically break down when trying to model failure. All sorts of numerical troubles ensue - all of them pointing to a fundamental deficiency of the model: the lack of microstructure. N.B.: the term microstructure doesn't prescribe a dimension (e.g., microns), but rather a scale - the scale of the mechanisms responsible for failure. A possible remedy to this deficiency is represented by the so-called "double scale" models, in which the small scale (the microstructure) is explicitly taken into account. Typically, two numerical problems are defined and solved - one at the large (continuum) scale, and the other at the small scale. This sort of approach requires a link between the two scales, to complete the picture. Imagine we are solving at the small scale a simulation of an assembly of a few grains, for example using the Discrete Element Method, whose results are in turn fed back to the large scale Finite Element simulation. The key feature of a double scale model is that one can inject the relevant physics at the appropriate scale. The success of such a model crucially depends on the quality of the physics one injects: ideally, this comes directly from experiments. In Grenoble, this is what we do, combining various advanced experimental techniques. We are able to image, in three dimensions and at small scales, the deformation processes accompanying failure in geomaterials. This allows us to understand these processes and subsequently to define models at a pertinently small scale. I will present a few examples of the kind of experimental results which could inform a micro scale model. X-ray micro tomography imaging is the key measurement tool. This is used during loading, providing complete 3D images of a sand specimen at several stages throughout a triaxial compression test. Images from x-rays are then analyzed either in a continuum sense (using 3D Digital Image Correlation) or looking at the individual particle kinematics (Particle Tracking). I will show some of our most recent results, in which individual sand grains are followed with a technique combining very recent developments in image correlation and particle tracking. These advanced techniques offer us a look at what actually happens when a granular material deforms and eventually fails.

Microstructure measurements in natural waters: Methodology and applications

NASA Astrophysics Data System (ADS)

Roget, Elena; Lozovatsky, Iossif; Sanchez, Xavier; Figueroa, Manuel

2006-08-01

Modern approaches to microstructure data processing, including wavelet denoising, are discussed. The wavelet procedure is applied to small-scale shear signals before estimating the dissipation rate ε and to the temperature/density profiles used to calculate Thorpe scales. Microstructure data obtained on the Mediterranean shelf of Catalonia are used to illustrate various approaches to the Thorpe displacement calculations. It is suggested that the Weibull probability function is an appropriate model for the Thorpe scale distribution. Microstructure measurements from the upper layer of the Boadella reservoir (Catalonia, Spain) support this finding. A new analytical approximation for the 1D Panchev-Kesich spectrum is deduced and the results of ε computation are compared with spectral fitting by the widely used Nasmyth spectrum. Applying the Kraichnan spectral model to compute ε from temperature spectra in the convective-viscous sub-range is examined as an alternative to the Batchelor spectrum. Microstructure measurements taken in Lake Banyoles (Catalonia, Spain) and in the North Atlantic were used for spectral calculations. Statistical analysis of eddy Kb and thermal Kθ diffusivities measured on a shallow shelf of the Black Sea shows the importance of process-orientated domain averaging of the diffusivities in obtaining good correspondence between Kb and Kθ in active turbulent regions. In weakly turbulent, stratified interior layers, the averaged Kb and Kθ differ significantly, which may point to the inapplicability of isotropic formulae used for ε and temperature dissipation χθ estimates, as well as to a dependence of the mixing efficiency γ on the Richardson number or in some cases on regions of fossil turbulence.

Q-space trajectory imaging for multidimensional diffusion MRI of the human brain

PubMed Central

Westin, Carl-Fredrik; Knutsson, Hans; Pasternak, Ofer; Szczepankiewicz, Filip; Özarslan, Evren; van Westen, Danielle; Mattisson, Cecilia; Bogren, Mats; O’Donnell, Lauren; Kubicki, Marek; Topgaard, Daniel; Nilsson, Markus

2016-01-01

This work describes a new diffusion MR framework for imaging and modeling of microstructure that we call q-space trajectory imaging (QTI). The QTI framework consists of two parts: encoding and modeling. First we propose q-space trajectory encoding, which uses time-varying gradients to probe a trajectory in q-space, in contrast to traditional pulsed field gradient sequences that attempt to probe a point in q-space. Then we propose a microstructure model, the diffusion tensor distribution (DTD) model, which takes advantage of additional information provided by QTI to estimate a distributional model over diffusion tensors. We show that the QTI framework enables microstructure modeling that is not possible with the traditional pulsed gradient encoding as introduced by Stejskal and Tanner. In our analysis of QTI, we find that the well-known scalar b-value naturally extends to a tensor-valued entity, i.e., a diffusion measurement tensor, which we call the b-tensor. We show that b-tensors of rank 2 or 3 enable estimation of the mean and covariance of the DTD model in terms of a second order tensor (the diffusion tensor) and a fourth order tensor. The QTI framework has been designed to improve discrimination of the sizes, shapes, and orientations of diffusion microenvironments within tissue. We derive rotationally invariant scalar quantities describing intuitive microstructural features including size, shape, and orientation coherence measures. To demonstrate the feasibility of QTI on a clinical scanner, we performed a small pilot study comparing a group of five healthy controls with five patients with schizophrenia. The parameter maps derived from QTI were compared between the groups, and 9 out of the 14 parameters investigated showed differences between groups. The ability to measure and model the distribution of diffusion tensors, rather than a quantity that has already been averaged within a voxel, has the potential to provide a powerful paradigm for the study of complex tissue architecture. PMID:26923372

Numerical analysis of stress effects on Frank loop evolution during irradiation in austenitic Fe&z.sbnd;Cr&z.sbnd;Ni alloy

NASA Astrophysics Data System (ADS)

Tanigawa, Hiroyasu; Katoh, Yutai; Kohyama, Akira

1995-08-01

Effects of applied stress on early stages of interstitial type Frank loop evolution were investigated by both numerical calculation and irradiation experiments. The final objective of this research is to propose a comprehensive model of complex stress effects on microstructural evolution under various conditions. In the experimental part of this work, the microstructural analysis revealed that the differences in resolved normal stress caused those in the nucleation rates of Frank loops on {111} crystallographic family planes, and that with increasing external applied stress the total nucleation rate of Frank loops was increased. A numerical calculation was carried out primarily to evaluate the validity of models of stress effects on nucleation processes of Frank loop evolution. The calculation stands on rate equuations which describe evolution of point defects, small points defect clusters and Frank loops. The rate equations of Frank loop evolution were formulated for {111} planes, considering effects of resolved normal stress to clustering processes of small point defects and growth processes of Frank loops, separately. The experimental results and the predictions from the numerical calculation qualitatively coincided well with each other.

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

TOPICAL REVIEW: Sintering and microstructure of ice: a review

NASA Astrophysics Data System (ADS)

Blackford, Jane R.

2007-11-01

Sintering of ice is driven by the thermodynamic requirement to decrease surface energy. The structural morphology of ice in nature has many forms—from snowflakes to glaciers. These forms and their evolution depend critically on the balance between the thermodynamic and kinetic factors involved. Ice is a crystalline material so scientific understanding and approaches from more conventional materials can be applied to ice. The early models of solid state ice sintering are based on power law models originally developed in metallurgy. For pressure sintering of ice, these are based on work on hot isostatic pressing of metals and ceramics. Recent advances in recognizing the grain boundary groove geometry between sintering ice particles require models that use new approaches in materials science. The newer models of sintering in materials science are beginning to incorporate more realistic processing conditions and microstructural complexity, and so there is much to be gained from applying these to ice in the future. The vapour pressure of ice is high, which causes it to sublime readily. The main mechanism for isothermal sintering of ice particles is by vapour diffusion; however other transport mechanisms certainly contribute. Plastic deformation with power law creep combined with recrystallization become important mechanisms in sintering with external pressure. Modern experimental techniques, low temperature scanning electron microscopy and x-ray tomography, are providing new insights into the evolution of microstructures in ice. Sintering in the presence of a small volume fraction of the liquid phase causes much higher bond growth rates. This may be important in natural snow which contains impurities that form a liquid phase. Knowledge of ice microstructure and sintering is beneficial in understanding mechanical behaviour in ice friction and the stability of snow slopes prone to avalanches.

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

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.

Microstructure characterization and strengthening mechanisms of oxide dispersion strengthened (ODS) Fe-9%Cr and Fe-14%Cr extruded bars

NASA Astrophysics Data System (ADS)

Chauhan, A.; Bergner, F.; Etienne, A.; Aktaa, J.; de Carlan, Y.; Heintze, C.; Litvinov, D.; Hernandez-Mayoral, M.; Oñorbe, E.; Radiguet, B.; Ulbricht, A.

2017-11-01

The collaborative study is focused on the relationship between microstructure and yield stress for an ODS Fe-9%Cr-based transformable alloy and an ODS Fe-14%Cr-based ferritic alloy. The contributions to the total room temperature yield stress arising from various strengthening mechanisms are addressed on the basis of a comprehensive description of the microstructures uncovered by means of transmission electron microscopy (TEM), electron backscatter diffraction (EBSD), small-angle neutron scattering (SANS) and atom probe tomography (APT). While these methods provide a high degree of complementarity, a reasonable agreement was found in cases of overlap of information. The derived set of microstructure parameters along with reported strengthening equations was used to calculate the room temperature yield stress. The estimates were critically compared with the measured yield stress for an extended set of alloys including data reported for Fe-Cr model alloys and steels thus covering one order of magnitude or more in grain size, dislocation density, particle density and yield stress. The comparison shows that particle strengthening, dislocation forest strengthening, and Hall-Petch strengthening are the major contributions and that a mixed superposition rule reproduces the measured yield stress within experimental scatter for the whole extended set of alloys. The wide variation of microstructures additionally underpins the conclusions and goes beyond previous work, in which one or few ODS steels and narrow microstructure variations were typically covered.

Small fatigue cracks; Proceedings of the Second International Conference/Workshop, Santa Barbara, CA, Jan. 5-10, 1986

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

Ritchie, R.O.; Lankford, J.

Topics discussed in this volume include crack initiation and stage I growth, microstructure effects, crack closure, environment effects, the role of notches, analytical modeling, fracture mechanics characterization, experimental techniques, and engineering applications. Papers are presented on fatigue crack initiation along slip bands, the effect of microplastic surface deformation on the growth of small cracks, short fatigue crack behavior in relation to three-dimensional aspects and the crack closure effect, the influence of crack depth on crack electrochemistry and fatigue crack growth, and nondamaging notches in fatigue. Consideration is also given to models of small fatigue cracks, short crack theory, assessment ofmore » the growth of small flaws from residual strength data, the relevance of short crack behavior to the integrity of major rotating aero engine components, and the relevance of short fatigue crack growth data to the durability and damage tolerance analyses of aircraft.« less

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

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

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

DOE PAGES

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.; ...

2016-02-27

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

A neural network technique for remeshing of bone microstructure.

PubMed

Fischer, Anath; Holdstein, Yaron

2012-01-01

Today, there is major interest within the biomedical community in developing accurate noninvasive means for the evaluation of bone microstructure and bone quality. Recent improvements in 3D imaging technology, among them development of micro-CT and micro-MRI scanners, allow in-vivo 3D high-resolution scanning and reconstruction of large specimens or even whole bone models. Thus, the tendency today is to evaluate bone features using 3D assessment techniques rather than traditional 2D methods. For this purpose, high-quality meshing methods are required. However, the 3D meshes produced from current commercial systems usually are of low quality with respect to analysis and rapid prototyping. 3D model reconstruction of bone is difficult due to the complexity of bone microstructure. The small bone features lead to a great deal of neighborhood ambiguity near each vertex. The relatively new neural network method for mesh reconstruction has the potential to create or remesh 3D models accurately and quickly. A neural network (NN), which resembles an artificial intelligence (AI) algorithm, is a set of interconnected neurons, where each neuron is capable of making an autonomous arithmetic calculation. Moreover, each neuron is affected by its surrounding neurons through the structure of the network. This paper proposes an extension of the growing neural gas (GNN) neural network technique for remeshing a triangular manifold mesh that represents bone microstructure. This method has the advantage of reconstructing the surface of a genus-n freeform object without a priori knowledge regarding the original object, its topology, or its shape.

Material model measurements and predictions for a random pore poly(epsilon-caprolactone) scaffold.

PubMed

Quinn, T P; Oreskovic, T L; Landis, F A; Washburn, N R

2007-07-01

We investigated material models for a polymeric scaffold used for bone. The material was made by co-extruding poly(epsilon-caprolactone) (PCL), a biodegradable polyester, and poly(ethylene oxide) (PEO). The water soluble PEO was removed resulting in a porous scaffold. The stress-strain curve in compression was fit with a phenomenological model in hyperbolic form. This material model will be useful for designers for quasi-static analysis as it provides a simple form that can easily be used in finite element models. The ASTM D-1621 standard recommends using a secant modulus based on 10% strain. The resulting modulus has a smaller scatter in its value compared with the coefficients of the hyperbolic model, and it is therefore easier to compare differences in material processing and ensure quality of the scaffold. A prediction of the small-strain elastic modulus was constructed from images of the microstructure. Each pixel of the micrographs was represented with a brick finite element and assigned the Young's modulus of bulk PCL or a value of 0 for a pore. A compressive strain was imposed on the model and the resulting stresses were calculated. The elastic constants of the scaffold were then computed with Hooke's law for a linear-elastic isotropic material. The model was able to predict the small-strain elastic modulus measured in the experiments to within one standard deviation. Thus, by knowing the microstructure of the scaffold, its bulk properties can be predicted from the material properties of the constituents. Copyright 2006 Wiley Periodicals, Inc.

Micro-structured heat exchanger for cryogenic mixed refrigerant cycles

NASA Astrophysics Data System (ADS)

Gomse, D.; Reiner, A.; Rabsch, G.; Gietzelt, T.; Brandner, J. J.; Grohmann, S.

2017-12-01

Mixed refrigerant cycles (MRCs) offer a cost- and energy-efficient cooling method for the temperature range between 80 and 200 K. The performance of MRCs is strongly influenced by entropy production in the main heat exchanger. High efficiencies thus require small temperature gradients among the fluid streams, as well as limited pressure drop and axial conduction. As temperature gradients scale with heat flux, large heat transfer areas are necessary. This is best achieved with micro-structured heat exchangers, where high volumetric heat transfer areas can be realized. The reliable design of MRC heat exchangers is challenging, since two-phase heat transfer and pressure drop in both fluid streams have to be considered simultaneously. Furthermore, only few data on the convective boiling and condensation kinetics of zeotropic mixtures is available in literature. This paper presents a micro-structured heat exchanger designed with a newly developed numerical model, followed by experimental results on the single-phase pressure drop and their implications on the hydraulic diameter.

Controlling the polypyrrole microstructures using swollen liquid crystals as structure directing agent

NASA Astrophysics Data System (ADS)

Dutt, S.; Sharma, R.

2017-10-01

Microstructures of polypyrrole (PPy) with different morphology were synthesized using swollen liquid crystals (SLCs) as soft structure directing agents and confinement effect on the control of PPy microstructures have been thoroughly investigated. SLCs are the quaternary mixtures of aqueous phase: oil phase: surfactant: co-surfactant. Mesophases of PPy were synthesized by trapping small amount of pyrrole in the oil phase of SLCs. Spherical, fiber and rod-like microstructures of PPy were synthesized by adding ammonium persulphate (APS) as an oxidant under different synthesis conditions using SLCs. The possible mechanism for the formation of different PPy microstructures also proposed in this study.

In-situ Observation of Cross-Sectional Microstructural Changes and Stress Distributions in Fracturing TiN Thin Film during Nanoindentation

PubMed Central

Zeilinger, Angelika; Todt, Juraj; Krywka, Christina; Müller, Martin; Ecker, Werner; Sartory, Bernhard; Meindlhumer, Michael; Stefenelli, Mario; Daniel, Rostislav; Mitterer, Christian; Keckes, Jozef

2016-01-01

Load-displacement curves measured during indentation experiments on thin films depend on non-homogeneous intrinsic film microstructure and residual stress gradients as well as on their changes during indenter penetration into the material. To date, microstructural changes and local stress concentrations resulting in plastic deformation and fracture were quantified exclusively using numerical models which suffer from poor knowledge of size dependent material properties and the unknown intrinsic gradients. Here, we report the first in-situ characterization of microstructural changes and multi-axial stress distributions in a wedge-indented 9 μm thick nanocrystalline TiN film volume performed using synchrotron cross-sectional X-ray nanodiffraction. During the indentation, needle-like TiN crystallites are tilted up to 15 degrees away from the indenter axis in the imprint area and strongly anisotropic diffraction peak broadening indicates strain variation within the X-ray nanoprobe caused by gradients of giant compressive stresses. The morphology of the multiaxial stress distributions with local concentrations up to −16.5 GPa correlate well with the observed fracture modes. The crack growth is influenced decisively by the film microstructure, especially by the micro- and nano-scopic interfaces. This novel experimental approach offers the capability to interpret indentation response and indenter imprint morphology of small graded nanostructured features. PMID:26947558

Viscoplastic Creep Response and Microstructure of As-Fabricated Microscale Sn-3.0Ag-0.5Cu Solder Interconnects

NASA Astrophysics Data System (ADS)

Cuddalorepatta, Gayatri; Williams, Maureen; Dasgupta, Abhijit

2010-10-01

The viscoplastic behavior of as-fabricated, undamaged, microscale Sn-3.0 Ag-0.5Cu (SAC305) Pb-free solder is investigated and compared with that of eutectic Sn-37Pb solder and near-eutectic Sn-3.8Ag-0.7Cu (SAC387) solder from prior studies. Creep measurements of microscale SAC305 solder shear specimens show significant piece-to-piece variability under identical loading. Orientation imaging microscopy reveals that these specimens contain only a few, highly anisotropic Sn grains across the entire joint. For the studied loads, the coarse-grained Sn microstructure has a more significant impact on the scatter in primary creep compared to that in the secondary creep. The observed lack of statistical homogeneity (microstructure) and joint-dependent mechanical behavior of microscale SAC305 joints are consistent with those observed for functional microelectronics interconnects. Compared with SAC305 joints, microscale Sn-37Pb shear specimens exhibit more homogenous behavior and microstructure with a large number of small Sn (and Pb) grains. Creep damage in the Pb-free joint is predominantly concentrated at highly misoriented Sn grain boundaries. The coarse-grained Sn microstructure recrystallizes into new grains with high misorientation angles under creep loading. In spite of the observed joint-dependent behavior, as-fabricated SAC305 is significantly more creep resistant than Sn-37Pb solder and slightly less creep resistant than near-eutectic SAC387 solder. Average model constants for primary and secondary creep of SAC305 are presented. Since the viscoplastic measurements are averaged over a wide range of grain configurations, the creep model constants represent the effective continuum behavior in an average sense. The average secondary creep behavior suggests that the dominant creep mechanism is dislocation climb assisted by dislocation pipe diffusion.

Stochastic model for the 3D microstructure of pristine and cyclically aged cathodes in Li-ion batteries

NASA Astrophysics Data System (ADS)

Kuchler, Klaus; Westhoff, Daniel; Feinauer, Julian; Mitsch, Tim; Manke, Ingo; Schmidt, Volker

2018-04-01

It is well-known that the microstructure of electrodes in lithium-ion batteries strongly affects their performance. Vice versa, the microstructure can exhibit strong changes during the usage of the battery due to aging effects. For a better understanding of these effects, mathematical analysis and modeling has turned out to be of great help. In particular, stochastic 3D microstructure models have proven to be a powerful and very flexible tool to generate various kinds of particle-based structures. Recently, such models have been proposed for the microstructure of anodes in lithium-ion energy and power cells. In the present paper, we describe a stochastic modeling approach for the 3D microstructure of cathodes in a lithium-ion energy cell, which differs significantly from the one observed in anodes. The model for the cathode data enhances the ideas of the anode models, which have been developed so far. It is calibrated using 3D tomographic image data from pristine as well as two aged cathodes. A validation based on morphological image characteristics shows that the model is able to realistically describe both, the microstructure of pristine and aged cathodes. Thus, we conclude that the model is suitable to generate virtual, but realistic microstructures of lithium-ion cathodes.

Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography

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

Kashkooli, Ali Ghorbani; Amirfazli, Amir; Farhad, Siamak

For this, a new model that keeps all major advantages of the single-particle model of lithium-ion batteries (LIBs) and includes three-dimensional structure of the electrode was developed. Unlike the single spherical particle, this model considers a small volume element of an electrode, called the Representative Volume Element (RVE), which represent the real electrode structure. The advantages of using RVE as the model geometry was demonstrated for a typical LIB electrode consisting of nano-particle LiFePO 4 (LFP) active material. The three-dimensional morphology of the LFP electrode was reconstructed using a synchrotron X-ray nano-computed tomography at the Advanced Photon Source of themore » Argonne National. A 27 μm 3 cube from reconstructed structure was chosen as the RVE for the simulation purposes. The model was employed to predict the voltage curve in a half-cell during galvanostatic operations and validated with experimental data. The simulation results showed that the distribution of lithium inside the electrode microstructure is very different from the results obtained based on the single-particle model. The range of lithium concentration is found to be much greater, successfully illustrates the effect of microstructure heterogeneity.« less

Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography

DOE PAGES

Kashkooli, Ali Ghorbani; Amirfazli, Amir; Farhad, Siamak; ...

2017-01-28

For this, a new model that keeps all major advantages of the single-particle model of lithium-ion batteries (LIBs) and includes three-dimensional structure of the electrode was developed. Unlike the single spherical particle, this model considers a small volume element of an electrode, called the Representative Volume Element (RVE), which represent the real electrode structure. The advantages of using RVE as the model geometry was demonstrated for a typical LIB electrode consisting of nano-particle LiFePO 4 (LFP) active material. The three-dimensional morphology of the LFP electrode was reconstructed using a synchrotron X-ray nano-computed tomography at the Advanced Photon Source of themore » Argonne National. A 27 μm 3 cube from reconstructed structure was chosen as the RVE for the simulation purposes. The model was employed to predict the voltage curve in a half-cell during galvanostatic operations and validated with experimental data. The simulation results showed that the distribution of lithium inside the electrode microstructure is very different from the results obtained based on the single-particle model. The range of lithium concentration is found to be much greater, successfully illustrates the effect of microstructure heterogeneity.« less

Effects of fabrication on the mechanics, microstructure and micromechanical environment of small intestinal submucosa scaffolds for vascular tissue engineering.

PubMed

Sánchez-Palencia, Diana M; D'Amore, Antonio; González-Mancera, Andrés; Wagner, William R; Briceño, Juan C

2014-08-22

In small intestinal submucosa scaffolds for functional tissue engineering, the impact of scaffold fabrication parameters on success rate may be related to the mechanotransductory properties of the final microstructural organization of collagen fibers. We hypothesized that two fabrication parameters, 1) preservation (P) or removal (R) of a dense collagen layer present in SIS and 2) SIS in a final dehydrated (D) or hydrated (H) state, have an effect on scaffold void area, microstructural anisotropy (fiber alignment) and mechanical anisotropy (global mechanical compliance). We further integrated our experimental measurements in a constitutive model to explore final effects on the micromechanical environment inside the scaffold volume. Our results indicated that PH scaffolds might exhibit recurrent and large force fluctuations between layers (up to 195 pN), while fluctuations in RH scaffolds might be larger (up to 256 pN) but not as recurrent. In contrast, both PD and RD groups were estimated to produce scarcer and smaller fluctuations (not larger than 50 pN). We concluded that the hydration parameter strongly affects the micromechanics of SIS and that an adequate choice of fabrication parameters, assisted by the herein developed method, might leverage the use of SIS for functional tissue engineering applications, where forces at the cellular level are of concern in the guidance of new tissue formation. Copyright © 2014 Elsevier Ltd. All rights reserved.

A microstructural comparison of two nuclear-grade martensitic steels using small-angle neutron scattering

NASA Astrophysics Data System (ADS)

Coppola, R.; Fiori, F.; Little, E. A.; Magnani, M.

1997-06-01

Results are presented of a small-angle neutron scattering (SANS) study on two 10-13% Cr martensitic stainless steels of interest for nuclear applications, viz. DIN 1.4914 (MANET specification, for fusion reactors) and AISI 410. The investigation has focussed principally on microstructural effects associated with the differences in chromium content between the two alloys. The size distribution functions determined from nuclear and magnetic SANS components for the two steels given identical heat treatments are in accord with an interpretation based on the presence of ˜ 1 nm size CCr aggregates in the microstructure. Much larger (˜ 10 nm) scattering inhomogeneities with different magnetic contrast are also present and tentatively identified as carbides.

Viscous constitutive relations of solid-liquid composites in terms of grain boundary contiguity: 1. Grain boundary diffusion control model

NASA Astrophysics Data System (ADS)

Takei, Yasuko; Holtzman, Benjamin K.

2009-06-01

Viscous constitutive relations of partially molten rocks deforming in the regime of grain boundary (GB) diffusion creep are derived theoretically on the basis of microstructural processes at the grain scale. The viscous constitutive relation developed in this study is based on contiguity as an internal state variable, which enables us to take into account the detailed effects of grain-scale melt distribution observed in experiments. Compared to the elasticities derived previously for the same microstructural model, the viscosities are much more sensitive to the presence of melt and variations in contiguity. As explored in this series of three companion papers, this "contiguity" model predicts that a very small amount of melt (ϕ < 0.01) significantly reduces the bulk and shear viscosities. Furthermore, a large anisotropy in viscosity is produced by anisotropy in contiguity, which occurs in deforming partially molten rocks. These results have important implications for deformation and melt extraction at small melt fractions, as well as for shear-induced melt segregation. The viscous and elastic constitutive relations derived in terms of contiguity bridge microscopic grain-scale and macroscopic continuum properties. These constitutive relations are essential for investigating melt migration dynamics in a forward sense on the basis of the basic equations of two-phase dynamics and in an inverse sense on the basis of seismological observations.

Structure-property relations and modeling of small crack fatigue behavior of various magnesium alloys

NASA Astrophysics Data System (ADS)

Bernard, Jairus Daniel

Lightweight structural components are important to the automotive and aerospace industries so that better fuel economy can be realized. Magnesium alloys in particular are being examined to fulfill this need due to their attractive stiffness- and strength-to-weight ratios when compared to other materials. However, when introducing a material into new roles, one needs to properly characterize its mechanical properties. Fatigue behavior is especially important considering aerospace and automotive component applications. Therefore, quantifying the structure-property relationships and accurately predicting the fatigue behavior for these materials are vital. This study has two purposes. The first is to quantify the structure-property relationships for the fatigue behavior in an AM30 magnesium alloy. The second is to use the microstructural-based MultiStage Fatigue (MSF) model in order to accurately predict the fatigue behavior of three magnesium alloys: AM30, Elektron 21, and AZ61. While some studies have previously quantified the MSF material constants for several magnesium alloys, detailed research into the fatigue regimes, notably the microstructurally small crack (MSC) region, is lacking. Hence, the contribution of this work is the first of its kind to experimentally quantify the fatigue crack incubation and MSC regimes that are used for the MultiStage Fatigue model. Using a multi-faceted experimental approach, these regimes were explored with a replica method that used a dual-stage silicone based compound along with previously published in situ fatigue tests. These observations were used in calibrating the MultiStage Fatigue model.

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.

The small length scale effect for a non-local cantilever beam: a paradox solved.

PubMed

Challamel, N; Wang, C M

2008-08-27

Non-local continuum mechanics allows one to account for the small length scale effect that becomes significant when dealing with microstructures or nanostructures. This paper presents some simplified non-local elastic beam models, for the bending analyses of small scale rods. Integral-type or gradient non-local models abandon the classical assumption of locality, and admit that stress depends not only on the strain value at that point but also on the strain values of all points on the body. There is a paradox still unresolved at this stage: some bending solutions of integral-based non-local elastic beams have been found to be identical to the classical (local) solution, i.e. the small scale effect is not present at all. One example is the Euler-Bernoulli cantilever nanobeam model with a point load which has application in microelectromechanical systems and nanoelectromechanical systems as an actuator. In this paper, it will be shown that this paradox may be overcome with a gradient elastic model as well as an integral non-local elastic model that is based on combining the local and the non-local curvatures in the constitutive elastic relation. The latter model comprises the classical gradient model and Eringen's integral model, and its application produces small length scale terms in the non-local elastic cantilever beam solution.

Atomistic to continuum modeling of solidification microstructures

DOE PAGES

Karma, Alain; Tourret, Damien

2015-09-26

We summarize recent advances in modeling of solidification microstructures using computational methods that bridge atomistic to continuum scales. We first discuss progress in atomistic modeling of equilibrium and non-equilibrium solid–liquid interface properties influencing microstructure formation, as well as interface coalescence phenomena influencing the late stages of solidification. The latter is relevant in the context of hot tearing reviewed in the article by M. Rappaz in this issue. We then discuss progress to model microstructures on a continuum scale using phase-field methods. We focus on selected examples in which modeling of 3D cellular and dendritic microstructures has been directly linked tomore » experimental observations. Finally, we discuss a recently introduced coarse-grained dendritic needle network approach to simulate the formation of well-developed dendritic microstructures. The approach reliably bridges the well-separated scales traditionally simulated by phase-field and grain structure models, hence opening new avenues for quantitative modeling of complex intra- and inter-grain dynamical interactions on a grain scale.« less

Superconducting properties of nano-sized SiO2 added YBCO thick film on Ag substrate

NASA Astrophysics Data System (ADS)

Almessiere, Munirah Abdullah; Al-Otaibi, Amal lafy; Azzouz, Faten Ben

2017-10-01

The microstructure and the flux pinning capability of SiO2-added YBa2Cu3Oy thick films on Ag substrates were investigated. A series of YBa2Cu3Oy thick films with small amounts (0-0.5 wt%) of nano-sized SiO2 particles (12 nm) was prepared. The thicknesses of the prepared thick films was approximately 100 µm. Phase analysis by x-ray diffraction and microstructure examination by scanning electron microscopy were performed and the critical current density dependence on the applied magnetic field Jc(H) and electrical resistivity ρ(T) were investigated. The magnetic field and temperature dependence of the critical current density (Jc) was calculated from magnetization measurements using Bean's critical state model. The results showed that the addition of a small amount (≤0.02 wt%) of SiO2 was effective in enhancing the critical current densities in the applied magnetic field. The sample with 0.01 wt% of added SiO2 exhibited a superconducting characteristics under an applied magnetic field for a temperature ranging from 10 to 77 K.

Mnemonic function in small vessel disease and associations with white matter tract microstructure.

PubMed

Metoki, Athanasia; Brookes, Rebecca L; Zeestraten, Eva; Lawrence, Andrew J; Morris, Robin G; Barrick, Thomas R; Markus, Hugh S; Charlton, Rebecca A

2017-09-01

Cerebral small vessel disease (SVD) is associated with deficits in working memory, with a relative sparing of long-term memory; function may be influenced by white matter microstructure. Working and long-term memory were examined in 106 patients with SVD and 35 healthy controls. Microstructure was measured in the uncinate fasciculi and cingula. Working memory was more impaired than long-term memory in SVD, but both abilities were reduced compared to controls. Regression analyses found that having SVD explained the variance in memory functions, with additional variance explained by the cingula (working memory) and uncinate (long-term memory). Performance can be explained in terms of integrity loss in specific white matter tract associated with mnemonic functions. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Improvement of chemical composition, structure and mechanical properties of heat-resistant chromium-nickel alloy

NASA Astrophysics Data System (ADS)

Varlamova, S.; Trushnikova, A.; Rumyantsev, B.; Butrim, V.; Simonov, V.

2018-04-01

A thermodynamic analysis of a multicomponent system of the Cr-Ni alloy (Cr-32Ni-1,5W-0,25V-0,5Ti) with small additions of refractory metals was carried out. The microstructure and phase composition of the base alloy (I) and alloy with additional alloying (II) were studied. The effect of additives on the mechanical properties of the Cr-Ni alloy at 20, 900 and 1080 °C was shown. The microstructure of alloys I and II was studied in the fracture zone of samples after tensile tests at different temperatures. We studied the effect of small additives on the microstructure of alloys and changes in the morphology of the structural components (phases) as a function of temperature and degree of deformation.

Concurrent multiscale modeling of microstructural effects on localization behavior in finite deformation solid mechanics

DOE PAGES

Alleman, Coleman N.; Foulk, James W.; Mota, Alejandro; ...

2017-11-06

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. In order to resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. Here, the authors demonstrate the use of concurrent multiscale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeled withmore » a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J 2 plasticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. In this study, the framework is applied to model incipient localization in tensile specimens during necking.« less

Concurrent multiscale modeling of microstructural effects on localization behavior in finite deformation solid mechanics

NASA Astrophysics Data System (ADS)

Alleman, Coleman N.; Foulk, James W.; Mota, Alejandro; Lim, Hojun; Littlewood, David J.

2018-02-01

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. To resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. In this study, the authors demonstrate the use of concurrent multiscale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeled with a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J2 plasticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. In this study, the framework is applied to model incipient localization in tensile specimens during necking.

Concurrent multiscale modeling of microstructural effects on localization behavior in finite deformation solid mechanics

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

Alleman, Coleman N.; Foulk, James W.; Mota, Alejandro

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. In order to resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. Here, the authors demonstrate the use of concurrent multiscale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeled withmore » a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J 2 plasticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. In this study, the framework is applied to model incipient localization in tensile specimens during necking.« less

Provenance study through analysis of microstructural characteristics using an optical microscope and scanning electron microscopy for Goryeo celadon excavated from the seabed.

PubMed

Min-su, Han

2013-08-01

This paper aims at identifying the provenance of Goryeo celadons by understanding its microstructural characteristics, such as particles, blisters, forms and amount of pores, and the presence of crystal formation, bodies, and glazes and its boundary, using an optical microscope and scanning electron microscopy (SEM). The analysis of the reproduced samples shows that the glazed layer of the sherd fired at higher temperatures has lower viscosity and therefore it encourages the blisters to be combined together and the layer to become more transparent. In addition, the result showed that the vitrification and melting process of clay minerals such as feldspars and quartzs on the bodies was accelerated for those samples. To factor such characteristics of the microstructure and apply it to the sherds, the samples could be divided into six categories based on status, such as small particles with many small pores or mainly large and small circular pores in the bodies, only a limited number of varied sized blisters in the glazes, and a few blisters and needle-shaped crystals on the boundary surface. In conclusion, the analysis of the microstructural characteristics using an optical microscope and SEM have proven to be useful as a categorizing reference factor in a provenance study on Goryeo celadons.

Modelling of Microstructure Changes in Hot Deformed Materials Using Cellular Automata

NASA Astrophysics Data System (ADS)

Kuc, Dariusz; Gawąd, Jerzy

2011-01-01

The paper is focused on application of multi-scale 2D method. Model approach consists of Cellular Automata (CA) model of microstructure development and the finite element code to solve thermo-mechanical problem. Dynamic recrystallization phenomenon is taken into account in 2D CA model which takes advantage of explicit representation of microstructure, including individual grains and grain boundaries. Flow stress is the main material parameter in mechanical part of FE and is calculated on the basis of average dislocation density obtained from CA model. The results attained from the model were validated with the experimental data. In the present study, austenitic steel X3CrNi18-10 was investigated. The examination of microstructure for the initial and final microstructures was carried out, using light microscopy and transmission electron microscopy.

Microstructure-Sensitive Modeling of High Cycle Fatigue (Preprint)

DTIC Science & Technology

2009-03-01

SUBJECT TERMS microplasticity , microstructure-sensitive modeling, high cycle fatigue, fatigue variability 16. SECURITY CLASSIFICATION OF: 17...3Air Force Research Laboratory Wright Patterson Air Force Base, Ohio 45433 Keywords: Microplasticity , microstructure-sensitive modeling, high cycle...cyclic microplasticity ) plays a key role in modeling fatigue resistance. Unlike effective properties such as elastic stiffness, fatigue is

Processable conductive graphene/polyethylene nanocomposites: Effects of graphene dispersion and polyethylene blending with oxidized polyethylene on rheology and microstructure

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

Iqbal, Muhammad Z.; Abdala, Ahmed A.; Mittal, Vikas

Poor dispersion of graphene in non-polar polymer matrices creates composites with limited applications. A method to improve the dispersion of graphene in polyethylene (PE) via blending PE with oxidized PE (OPE) is examined. Graphene was produced by simultaneous thermal exfoliation and reduction of graphite oxide. Nanocomposites of graphene with PE as well as graphene with PE/OPE-blends were prepared by solvent blending. Improved dispersion of graphene in PE/OPE blends substantially decreases percolation from both rheological (0.3 vol%) and electrical (0.13 vol%) measurements compared to neat PE nanocomposites (1 and 0.29 vol%), respectively. A universal Brownian dispersion of graphene in polymers wasmore » concluded similar to that of nanotubes, following the Doi-Edwards theory. Micromechanical models, such as Mori-Tanaka and Halpin-Tsai models, modeled the mechanical properties of the nanocomposites. The nanocomposites microstructure, studied by small angle x-ray scattering, confirmed better dispersion of graphene at lower loadings and the formation of surface fractals in the blend/graphene nanocomposites; whereas only mass fractals were observed in neat PE/graphene nanocomposites.« less

TEM characterization of irradiated microstructure of Fe-9%Cr ODS and ferritic-martensitic alloys

NASA Astrophysics Data System (ADS)

Swenson, M. J.; Wharry, J. P.

2018-04-01

The objective of this study is to evaluate the effects of irradiation dose and dose rate on defect cluster (i.e. dislocation loops and voids) evolution in a model Fe-9%Cr oxide dispersion strengthened steel and commercial ferritic-martensitic steels HCM12A and HT9. Complimentary irradiations using Fe2+ ions, protons, or neutrons to doses ranging from 1 to 100 displacements per atom (dpa) at 500 °C are conducted on each alloy. The irradiated microstructures are characterized using transmission electron microscopy (TEM). Dislocation loops exhibit limited growth after 1 dpa upon Fe2+ and proton irradiation, while any voids observed are small and sparse. The average size and number density of loops are statistically invariant between Fe2+, proton, and neutron irradiated specimens at otherwise fixed irradiation conditions of ∼3 dpa, 500 °C. Therefore, we conclude that higher dose rate charged particle irradiations can reproduce the neutron irradiated loop microstructure with temperature shift governed by the invariance theory; this temperature shift is ∼0 °C for the high sink strength alloys studied herein.

A non-classical Mindlin plate model incorporating microstructure, surface energy and foundation effects.

PubMed

Gao, X-L; Zhang, G Y

2016-07-01

A non-classical model for a Mindlin plate resting on an elastic foundation is developed in a general form using a modified couple stress theory, a surface elasticity theory and a two-parameter Winkler-Pasternak foundation model. It includes all five kinematic variables possible for a Mindlin plate. The equations of motion and the complete boundary conditions are obtained simultaneously through a variational formulation based on Hamilton's principle, and the microstructure, surface energy and foundation effects are treated in a unified manner. The newly developed model contains one material length-scale parameter to describe the microstructure effect, three surface elastic constants to account for the surface energy effect, and two foundation parameters to capture the foundation effect. The current non-classical plate model reduces to its classical elasticity-based counterpart when the microstructure, surface energy and foundation effects are all suppressed. In addition, the new model includes the Mindlin plate models considering the microstructure dependence or the surface energy effect or the foundation influence alone as special cases, recovers the Kirchhoff plate model incorporating the microstructure, surface energy and foundation effects, and degenerates to the Timoshenko beam model including the microstructure effect. To illustrate the new Mindlin plate model, the static bending and free vibration problems of a simply supported rectangular plate are analytically solved by directly applying the general formulae derived.

A non-classical Mindlin plate model incorporating microstructure, surface energy and foundation effects

PubMed Central

Zhang, G. Y.

2016-01-01

A non-classical model for a Mindlin plate resting on an elastic foundation is developed in a general form using a modified couple stress theory, a surface elasticity theory and a two-parameter Winkler–Pasternak foundation model. It includes all five kinematic variables possible for a Mindlin plate. The equations of motion and the complete boundary conditions are obtained simultaneously through a variational formulation based on Hamilton's principle, and the microstructure, surface energy and foundation effects are treated in a unified manner. The newly developed model contains one material length-scale parameter to describe the microstructure effect, three surface elastic constants to account for the surface energy effect, and two foundation parameters to capture the foundation effect. The current non-classical plate model reduces to its classical elasticity-based counterpart when the microstructure, surface energy and foundation effects are all suppressed. In addition, the new model includes the Mindlin plate models considering the microstructure dependence or the surface energy effect or the foundation influence alone as special cases, recovers the Kirchhoff plate model incorporating the microstructure, surface energy and foundation effects, and degenerates to the Timoshenko beam model including the microstructure effect. To illustrate the new Mindlin plate model, the static bending and free vibration problems of a simply supported rectangular plate are analytically solved by directly applying the general formulae derived. PMID:27493578

Continued Analysis of High-Frequency Broadband Acoustic Scattering from Non-Linear Internal Waves during SW06

DTIC Science & Technology

2014-06-20

zooplankton models (Lavery et al, 2007) have shown that the predicted scattering from zooplankton is dominated by copepods, amphipods, and pteropods ...which there is significant salinity gradient, the predicted scattering from the seasonal pycnocline during SW06 was not able to account for the...has focused on echoes from relatively small zooplankton, such as pteropods or copepods, potentially in the presence of microstructure or in mixed

Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes

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

Lei, Yinkai; Cheng, Tian -Le; Wen, You -Hai

Microstructure evolution plays an important role in the performance degradation of SOFC electrodes. In this work, we propose a much improved phase field model to simulate the microstructure evolution in the electrodes of solid oxide fuel cell. We demonstrate that the tunability of the interfacial energy in this model has been significantly enhanced. Parameters are set to fit for the interfacial energies of a typical Ni-YSZ anode, an LSM-YSZ cathode and an artificial reference electrode, respectively. The contact angles at various triple junctions and the microstructure evolutions in two dimensions are calibrated to verify the model. As a demonstration ofmore » the capabilities of the model, three dimensional microstructure evolutions are simulated applying the model to the three different electrodes. The time evolutions of grain size and triple phase boundary density are analyzed. In addition, a recently proposed bound charge successive approximation algorithm is employed to calculate the effective conductivity of the electrodes during microstructure evolution. Furthermore, the effective conductivity of all electrodes are found to decrease during the microstructure evolution, which is attributed to the increased tortuosity and the loss of percolated volume fraction of the electrode phase.« less

Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes

DOE PAGES

Lei, Yinkai; Cheng, Tian -Le; Wen, You -Hai

2017-02-13

Microstructure evolution plays an important role in the performance degradation of SOFC electrodes. In this work, we propose a much improved phase field model to simulate the microstructure evolution in the electrodes of solid oxide fuel cell. We demonstrate that the tunability of the interfacial energy in this model has been significantly enhanced. Parameters are set to fit for the interfacial energies of a typical Ni-YSZ anode, an LSM-YSZ cathode and an artificial reference electrode, respectively. The contact angles at various triple junctions and the microstructure evolutions in two dimensions are calibrated to verify the model. As a demonstration ofmore » the capabilities of the model, three dimensional microstructure evolutions are simulated applying the model to the three different electrodes. The time evolutions of grain size and triple phase boundary density are analyzed. In addition, a recently proposed bound charge successive approximation algorithm is employed to calculate the effective conductivity of the electrodes during microstructure evolution. Furthermore, the effective conductivity of all electrodes are found to decrease during the microstructure evolution, which is attributed to the increased tortuosity and the loss of percolated volume fraction of the electrode phase.« less

Optimization of the performance of the polymerase chain reaction in silicon-based microstructures.

PubMed Central

Taylor, T B; Winn-Deen, E S; Picozza, E; Woudenberg, T M; Albin, M

1997-01-01

We have demonstrated the ability to perform real-time homogeneous, sequence specific detection of PCR products in silicon microstructures. Optimal design/ processing result in equivalent performance (yield and specificity) for high surface-to-volume silicon structures as compared to larger volume reactions in polypropylene tubes. Amplifications in volumes as small as 0.5 microl and thermal cycling times reduced as much as 5-fold from that of conventional systems have been demonstrated for the microstructures. PMID:9224619

The ASMEx snow slab experiment: snow microwave radiative transfer (SMRT) model evaluation

NASA Astrophysics Data System (ADS)

Sandells, Melody; Löwe, Henning; Picard, Ghislain; Dumont, Marie; Essery, Richard; Floury, Nicolas; Kontu, Anna; Lemmetyinen, Juha; Maslanka, William; Mätzler, Christian; Morin, Samuel; Wiesmann, Andreas

2017-04-01

A major uncertainty in snow microwave modelling to date has been the treatment of the snow microstructure. Although observations of microstructural parameters such as the optical grain diameter, specific surface area and correlation length have improved drastically over the last few years, scale factors have been used to derive the parameters needed in microwave emission models from these observations. Previous work has shown that a major difference between electromagnetic models of scattering coefficients is due to the specific snow microstructure models used. The snow microwave radiative transfer model (SMRT) is a new model developed to advance understanding of the role of microstructure and isolate different assumptions in existing microwave models that collectively hinder interpretation of model intercomparison studies. SMRT is implemented in Python and is modular, thus allows switching between different representations in its various components. Here, the role of microstructure is examined with the Improved Born Approximation electromagnetic model. The model is evaluated against scattering and absorption coefficients derived from radiometer measurements of snow slabs taken as part of the Arctic Snow Microstructure Experiment (ASMEx), which took place in Sodankylä, Finland over two seasons. Microtomography observations of slab samples were used to determine parameters for five microstructure models: spherical, exponential, sticky hard sphere, Teubner-Strey and Gaussian random field. SMRT brightness temperature simulations are also compared with radiometric observations of the snow slabs over a reflector plate and an absorber substrate. Agreement between simulations and observations is generally good except for slabs that are highly anisotropic.

Characterization of nano-sized oxides in Fe-12Cr oxide-dispersion-strengthened ferritic steel using small-angle neutron scattering

NASA Astrophysics Data System (ADS)

Han, Young-Soo; Mao, Xiaodong; Jang, Jinsung; Kim, Tae-Kyu

2015-04-01

The ferritic ODS steel was manufactured by hot isostatic pressing and heat treatment. The nano-sized microstructures such as yttrium oxides and Cr oxides were quantitatively analyzed by small-angle neutron scattering (SANS). The effects of the fabrication conditions on the nano-sized microstructure were investigated in relation to the quantitative analysis results obtained by SANS. The ratio between magnetic and nuclear scattering components was calculated, and the characteristics of the nano-sized yttrium oxides are discussed based on the SANS analysis results.

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.

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.

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

A design-centered approach in developing Al-Si-based light-weight alloys with enhanced fatigue life and strength

NASA Astrophysics Data System (ADS)

Fan, Jinghong; Hao, Su

2004-01-01

Material heterogeneities and discontinuities such as porosity, second phase particles, and other defects at meso/micro/nano scales, determine fatigue life, strength, and fracture behavior of aluminum castings. In order to achieve better performance of these alloys, a design-centered computer-aided renovative approach is proposed. Here, the term “design-centered” is used to distinguish the new approach from the traditional trial-and-error design approach by formulating a clear objective, offering a scientific foundation, and developing a computer-aided effective tool for the alloy development. A criterion for tailoring “child” microstructure, obtained by “parent” microstructure through statistical correlation, is proposed for the fatigue design at the initial stage. A dislocations pileup model has been developed. This dislocation model, combined with an optimization analysis, provides an analytical-based solution on a small scale for silicon particles and dendrite cells to enhance both fatigue performance and strength for pore-controlled castings. It can also be used to further tailor microstructures. In addition, a conceptual damage sensitivity map for fatigue life design is proposed. In this map there are critical pore sizes, above which fatigue life is controlled by pores; otherwise it is controlled by other mechanisms such as silicon particles and dendrite cells. In the latter case, the proposed criteria and the dislocation model are the foundations of a guideline in the design-centered approach to maximize both the fatigue life and strength of Al-Si-based light-weight alloy.

Differential porosimetry and permeametry for random porous media.

PubMed

Hilfer, R; Lemmer, A

2015-07-01

Accurate determination of geometrical and physical properties of natural porous materials is notoriously difficult. Continuum multiscale modeling has provided carefully calibrated realistic microstructure models of reservoir rocks with floating point accuracy. Previous measurements using synthetic microcomputed tomography (μ-CT) were based on extrapolation of resolution-dependent properties for discrete digitized approximations of the continuum microstructure. This paper reports continuum measurements of volume and specific surface with full floating point precision. It also corrects an incomplete description of rotations in earlier publications. More importantly, the methods of differential permeametry and differential porosimetry are introduced as precision tools. The continuum microstructure chosen to exemplify the methods is a homogeneous, carefully calibrated and characterized model for Fontainebleau sandstone. The sample has been publicly available since 2010 on the worldwide web as a benchmark for methodical studies of correlated random media. High-precision porosimetry gives the volume and internal surface area of the sample with floating point accuracy. Continuum results with floating point precision are compared to discrete approximations. Differential porosities and differential surface area densities allow geometrical fluctuations to be discriminated from discretization effects and numerical noise. Differential porosimetry and Fourier analysis reveal subtle periodic correlations. The findings uncover small oscillatory correlations with a period of roughly 850μm, thus implying that the sample is not strictly stationary. The correlations are attributed to the deposition algorithm that was used to ensure the grain overlap constraint. Differential permeabilities are introduced and studied. Differential porosities and permeabilities provide scale-dependent information on geometry fluctuations, thereby allowing quantitative error estimates.

Particle-induced osteolysis in three-dimensional micro-computed tomography.

PubMed

Wedemeyer, Christian; Xu, Jie; Neuerburg, Carl; Landgraeber, Stefan; Malyar, Nasser M; von Knoch, Fabian; Gosheger, Georg; von Knoch, Marius; Löer, Franz; Saxler, Guido

2007-11-01

Small-animal models are useful for the in vivo study of particle-induced osteolysis, the most frequent cause of aseptic loosening after total joint replacement. Microstructural changes associated with particle-induced osteolysis have been extensively explored using two-dimensional (2D) techniques. However, relatively little is known regarding the 3D dynamic microstructure of particle-induced osteolysis. Therefore, we tested micro-computed tomography (micro-CT) as a novel tool for 3D analysis of wear debris-mediated osteolysis in a small-animal model of particle-induced osteolysis. The murine calvarial model based on polyethylene particles was utilized in 14 C57BL/J6 mice randomly divided into two groups. Group 1 received sham surgery, and group 2 was treated with polyethylene particles. We performed 3D micro-CT analysis and histological assessment. Various bone morphometric parameters were assessed. Regression was used to examine the relation between the results achieved by the two methods. Micro-CT analysis provides a fully automated means to quantify bone destruction in a mouse model of particle-induced osteolysis. This method revealed that the osteolytic lesions in calvaria in the experimental group were affected irregularly compared to the rather even distribution of osteolysis in the control group. This is an observation which would have been missed if histomorphometric analysis only had been performed, leading to false assessment of the actual situation. These irregularities seen by micro-CT analysis provide new insight into individual bone changes which might otherwise be overlooked by histological analysis and can be used as baseline information on which future studies can be designed.

Biomass particle models with realistic morphology and resolved microstructure for simulations of intraparticle transport phenomena

DOE PAGES

Ciesielski, Peter N.; Crowley, Michael F.; Nimlos, Mark R.; ...

2014-12-09

Biomass exhibits a complex microstructure of directional pores that impact how heat and mass are transferred within biomass particles during conversion processes. However, models of biomass particles used in simulations of conversion processes typically employ oversimplified geometries such as spheres and cylinders and neglect intraparticle microstructure. In this study, we develop 3D models of biomass particles with size, morphology, and microstructure based on parameters obtained from quantitative image analysis. We obtain measurements of particle size and morphology by analyzing large ensembles of particles that result from typical size reduction methods, and we delineate several representative size classes. Microstructural parameters, includingmore » cell wall thickness and cell lumen dimensions, are measured directly from micrographs of sectioned biomass. A general constructive solid geometry algorithm is presented that produces models of biomass particles based on these measurements. Next, we employ the parameters obtained from image analysis to construct models of three different particle size classes from two different feedstocks representing a hardwood poplar species ( Populus tremuloides, quaking aspen) and a softwood pine ( Pinus taeda, loblolly pine). Finally, we demonstrate the utility of the models and the effects explicit microstructure by performing finite-element simulations of intraparticle heat and mass transfer, and the results are compared to similar simulations using traditional simplified geometries. In conclusion, we show how the behavior of particle models with more realistic morphology and explicit microstructure departs from that of spherical models in simulations of transport phenomena and that species-dependent differences in microstructure impact simulation results in some cases.« less

Microstructure-based approach for predicting crack initiation and early growth in metals.

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

Cox, James V.; Emery, John M.; Brewer, Luke N.

2009-09-01

Fatigue cracking in metals has been and is an area of great importance to the science and technology of structural materials for quite some time. The earliest stages of fatigue crack nucleation and growth are dominated by the microstructure and yet few models are able to predict the fatigue behavior during these stages because of a lack of microstructural physics in the models. This program has developed several new simulation tools to increase the microstructural physics available for fatigue prediction. In addition, this program has extended and developed microscale experimental methods to allow the validation of new microstructural models formore » deformation in metals. We have applied these developments to fatigue experiments in metals where the microstructure has been intentionally varied.« less

Micro-imaging of the Mouse Lung via MRI

NASA Astrophysics Data System (ADS)

Wang, Wei

Quantitative measurement of lung microstructure is of great significance in assessment of pulmonary disease, particularly in the earliest stages. Conventional stereological assessment of ex-vivo fixed tissue specimens under the microscope has a long and successful tradition and is regarded as a gold standard, but the invasive nature limits its applications and the practicality of use in longitudinal studies. The technique for diffusion MRI-based 3He lung morphometry was previously developed and validated for human lungs, and was recently extended to ex-vivo mouse lungs. The technique yields accurate, quantitative information about the microstructure and geometry of acinar airways. In this dissertation, the 3He lung morphometry technique is for the first time successfully implemented for in-vivo studies of mice. It can generate spatially-resolved maps of parameters that reveal the microstructure of mouse lung. Results in healthy mice indicate excellent agreement between in-vivo morphometry via 3He MRI and microscopic morphometry after sacrifice. The implementation and validation of 3He morphometry in healthy mice open up new avenues for application of the technique as a precise, noninvasive, in-vivo biomarker of changes in lung microstructure, within various mouse models of lung disease. We have applied 3He morphometry to the Sendai mouse model of lung disease. Specifically, the Sendai-virus model of chronic obstructive lung disease has demonstrated an innate immune response in mouse airways that exhibits similarities to the chronic airway inflammation in human COPD and asthma, but the effect on distal lung parenchyma had not been investigated. We imaged the time course and regional distribution of mouse lung microstructural changes in vivo after Sendai virus (SeV) infection with 1H and 3He diffusion MRI. 1H MR images detected the SeV-induced pulmonary inflammation in vivo and 3He lung morphometry showed modest increase in alveolar duct radius distal to airway inflammation, particularly in the lung periphery, indicating airspace enlargement after virus infection. Another important application of the imaging technique is the study of lung regeneration in a pneumonectomy (PNX) model. Partial resection of the lung by unilateral PNX is a robust model of compensatory lung growth. It is typically studied by postmortem morphometry in which longitudinal assessment in the same animal cannot be achieved. Here we successfully assess the microstructural changes and quantify the compensatory lung growth in vivo in the PNX mouse model via 1H and hyperpolarized 3He diffusion MRI. Our results show complete restoration in lung volume and total alveolar number with enlargement of alveolar size, which is consistent with prior histological studies conducted in different animals at various time points. This dissertation demonstrates that 3He lung morphometry has good sensitivity in quantifying small microstructural changes in the mouse lung and can be applied to a variety of mouse pulmonary models. Particularly, it has great potential to become a valuable tool in understanding the time course and the mechanism of lung growth in individual animals and may provide insight into post-natal lung growth and lung regeneration.

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.

The effect of micro alloying on the microstructure evolution of Sn-Ag-Cu lead-free solder

NASA Astrophysics Data System (ADS)

Werden, Jesse

The microelectronics industry is required to obtain alternative Pb-free soldering materials due to legal, environmental, and technological factors. As a joining material, solder provides an electrical and mechanical support in electronic assemblies and therefore, the properties of the solder are crucial to the durability and reliability of the solder joint and the function of the electronic device. One major concern with new Pb-free alternatives is that the microstructure is prone to microstructural coarsening over time which leads to inconsistent properties over the device's lifetime. Power aging the solder is a common method of stabilizing the microstructure for Pb-based alloys, however, it is unclear if this will be an appropriate solution to the microstructural coarsening of Pb-free solders. The goal of this work is to develop a better understanding of the coarsening process in new solder alloys and to suggest methods of stabilizing the solder microstructure. Microalloying is one potential solution to the microstructural coarsening problem. This experiment consists of a microstructural coarsening study of SAC305 in which each sample has been alloyed with one of three different solutes, directionally solidified at 100microm/s, and then aged at three different temperatures over a total period of 20 days. There are several important conclusions from this experiment. First, the coarsening kinetics of the intermetallics in the ternary eutectic follow the Ostwald ripening model where r3 in proprotional to t for each alloying constituent. Second, the activation energy for coarsening was found to be 68.1+/-10.3 kJ/mol for the SAC305 samples, Zn had the most significant increase in the activation energy increasing it to 88.8+/-34.9 kJ/mol for the SAC+Zn samples, Mn also increased the activation energy to 83.2+/-20.8 kJ/mol for the SAC+Mn samples, and Sb decreased the activation energy to 48.0+/-3.59 kJ/mol for the SAC+Sb samples. Finally, it was found that the coarsening kinetics of SAC305, SAC+Zn, SAC+Mn, and SAC+Sb are all much slower than Pb-Sn alloys, therefore, power aging the solder will not be a viable method of stabilizing the microstructure. However, adding small amounts of Zn or Mn may be useful to maintain the original microstructure so that power aging is not required.

Multiscale Microstructures and Microstructural Effects on the Reliability of Microbumps in Three-Dimensional Integration

PubMed Central

Huang, Zhiheng; Xiong, Hua; Wu, Zhiyong; Conway, Paul; Altmann, Frank

2013-01-01

The dimensions of microbumps in three-dimensional integration reach microscopic scales and thus necessitate a study of the multiscale microstructures in microbumps. Here, we present simulated mesoscale and atomic-scale microstructures of microbumps using phase field and phase field crystal models. Coupled microstructure, mechanical stress, and electromigration modeling was performed to highlight the microstructural effects on the reliability of microbumps. The results suggest that the size and geometry of microbumps can influence both the mesoscale and atomic-scale microstructural formation during solidification. An external stress imposed on the microbump can cause ordered phase growth along the boundaries of the microbump. Mesoscale microstructures formed in the microbumps from solidification, solid state phase separation, and coarsening processes suggest that the microstructures in smaller microbumps are more heterogeneous. Due to the differences in microstructures, the von Mises stress distributions in microbumps of different sizes and geometries vary. In addition, a combined effect resulting from the connectivity of the phase morphology and the amount of interface present in the mesoscale microstructure can influence the electromigration reliability of microbumps. PMID:28788356

Microstructure Modeling of Third Generation Disk Alloys

NASA Technical Reports Server (NTRS)

Jou, Herng-Jeng

2010-01-01

The objective of this program was 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 was to be further improved and implemented to be a useful and user-friendly engineering tool. In this report, the key accomplishments achieved during the third year (2009) of the program are summarized. The activities of this year included: Further development of multistep precipitation simulation framework for gamma prime microstructure evolution during heat treatment; Calibration and validation of gamma prime microstructure modeling with supersolvus heat treated LSHR; Modeling of the microstructure evolution of the minor phases, particularly carbides, during isothermal aging, representing the long term microstructure stability during thermal exposure; and the implementation of software tools. During the research and development efforts to extend the precipitation microstructure modeling and prediction capability in this 3-year program, we identified a hurdle, related to slow gamma prime coarsening rate, with no satisfactory scientific explanation currently available. It is desirable to raise this issue to the Ni-based superalloys research community, with hope that in future there will be a mechanistic understanding and physics-based treatment to overcome the hurdle. In the mean time, an empirical correction factor was developed in this modeling effort to capture the experimental observations.

What lies beneath? Diffusion EAP-based study of brain tissue microstructure.

PubMed

Zucchelli, Mauro; Brusini, Lorenza; Andrés Méndez, C; Daducci, Alessandro; Granziera, Cristina; Menegaz, Gloria

2016-08-01

Diffusion weighted magnetic resonance signals convey information about tissue microstructure and cytoarchitecture. In the last years, many models have been proposed for recovering the diffusion signal and extracting information to constitute new families of numerical indices. Two main categories of reconstruction models can be identified in diffusion magnetic resonance imaging (DMRI): ensemble average propagator (EAP) models and compartmental models. From both, descriptors can be derived for elucidating the underlying microstructural architecture. While compartmental models indices directly quantify the fraction of different cell compartments in each voxel, EAP-derived indices are only a derivative measure and the effect of the different microstructural configurations on the indices is still unclear. In this paper, we analyze three EAP indices calculated using the 3D Simple Harmonic Oscillator based Reconstruction and Estimation (3D-SHORE) model and estimate their changes with respect to the principal microstructural configurations. We take advantage of the state of the art simulations to quantify the variations of the indices with the simulation parameters. Analysis of in-vivo data correlates the EAP indices with the microstructural parameters obtained from the Neurite Orientation Dispersion and Density Imaging (NODDI) model as a pseudo ground truth for brain data. Results show that the EAP derived indices convey information on the tissue microstructure and that their combined values directly reflect the configuration of the different compartments in each voxel. Copyright © 2016 Elsevier B.V. All rights reserved.

Ultrasonic characterization of microstructure in powder metal alloy

NASA Technical Reports Server (NTRS)

Tittmann, B. R.; Ahlberg, L. A.; Fertig, K.

1986-01-01

The ultrasonic wave propagation characteristics were measured for IN-100, a powder metallurgy alloy used for aircraft engine components. This material was as a model system for testing the feasibility of characterizing the microstructure of a variety of inhomogeneous media including powder metals, ceramics, castings and components. The data were obtained for a frequency range from about 2 to 20 MHz and were statistically averaged over numerous volume elements of the samples. Micrographical examination provided size and number distributions for grain and pore structure. The results showed that the predominant source for the ultrasonic attenuation and backscatter was a dense (approx. 100/cubic mm) distribution of small micropores (approx. 10 micron radius). Two samples with different micropore densities were studied in detail to test the feasibility of calculating from observed microstructural parameters the frequency dependence of the microstructural backscatter in the regime for which the wavelength is much larger than the size of the individual scattering centers. Excellent agreement was found between predicted and observed values so as to demonstrate the feasibility of solving the forward problem. The results suggest a way towards the nondestructive detection and characterization of anomalous distributions of micropores when conventional ultrasonic imaging is difficult. The findings are potentially significant toward the application of the early detection of porosity during the materials fabrication process and after manufacturing of potential sites for stress induced void coalescence leading to crack initiation and subsequent failure.

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

Microstructural examination of V-(3-6%)Cr-(3-5%)Ti irradiated in the ATR-A1 experiment

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

Gelles, D.S.

Microstructural examination results are reported for four heats of V-(3-6%)Cr-(3-5%)Ti irradiated in the ATR-A1 experiment to {approximately}4 dpa at {approximately}200 and 300 C to provide an understanding of the microstructural evolution that may be associated with degradation of mechanical properties. Fine precipitates were observed in high density intermixed with small defect clusters for all conditions examined following the irradiation. The irradiation-induced precipitation does not appear to be affected by preirradiation heat treatment or composition.

Water transport mechanism through open capillaries analyzed by direct surface modifications on biological surfaces

NASA Astrophysics Data System (ADS)

Ishii, Daisuke; Horiguchi, Hiroko; Hirai, Yuji; Yabu, Hiroshi; Matsuo, Yasutaka; Ijiro, Kuniharu; Tsujii, Kaoru; Shimozawa, Tateo; Hariyama, Takahiko; Shimomura, Masatsugu

2013-10-01

Some small animals only use water transport mechanisms passively driven by surface energies. However, little is known about passive water transport mechanisms because it is difficult to measure the wettability of microstructures in small areas and determine the chemistry of biological surfaces. Herein, we developed to directly analyse the structural effects of wettability of chemically modified biological surfaces by using a nanoliter volume water droplet and a hi-speed video system. The wharf roach Ligia exotica transports water only by using open capillaries in its legs containing hair- and paddle-like microstructures. The structural effects of legs chemically modified with a self-assembled monolayer were analysed, so that the wharf roach has a smart water transport system passively driven by differences of wettability between the microstructures. We anticipate that this passive water transport mechanism may inspire novel biomimetic fluid manipulations with or without a gravitational field.

An Investigation into the Properties and Microstructure of Cement Mixtures Modified with Cellulose Nanocrystal

PubMed Central

Flores, Jessica; Kamali, Mahsa; Ghahremaninezhad, Ali

2017-01-01

This paper aims to examine the effect of cellulose nanocrystals (CNC) on the hydration, transport behavior, and microstructure of cement mixtures. The addition of CNC delayed hydration at an early age but improved hydration at later ages. A small increase in the electrical resistivity of the cement mixtures with CNC was observed. Statistical nanoindentation showed a small tendency to a larger volume fraction of high density calcium-silicate-hydrate (C-S-H) and a smaller volume fraction of low-density C-S-H in the mixture with CNC. PMID:28772857

A 2-DOF microstructure-dependent model for the coupled torsion/bending instability of rotational nanoscanner

NASA Astrophysics Data System (ADS)

Keivani, M.; Abadian, N.; Koochi, A.; Mokhtari, J.; Abadyan, M.

2016-10-01

It has been well established that the physical performance of nanodevices might be affected by the microstructure. Herein, a two-degree-of-freedom model base on the modified couple stress theory is developed to incorporate the impact of microstructure in the torsion/bending coupled instability of rotational nanoscanner. Effect of microstructure dependency on the instability parameters is determined as a function of the microstructure parameter, bending/torsion coupling ratio, van der Waals force parameter and geometrical dimensions. It is found that the bending/torsion coupling substantially affects the stable behavior of the scanners especially those with long rotational beam elements. Impact of microstructure on instability voltage of the nanoscanner depends on coupling ratio and the conquering bending mode over torsion mode. This effect is more highlighted for higher values of coupling ratio. Depending on the geometry and material characteristics, the presented model is able to simulate both hardening behavior (due to microstructure) and softening behavior (due to torsion/bending coupling) of the nanoscanners.

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.

Understanding the Implications of a LINAC’s Microstructure on Devices and Photocurrent Models

DOE PAGES

McLain, Michael Lee; McDonald, Joseph Kyle; Hembree, Charles E.; ...

2017-10-20

Here, the effect of a linear accelerator’s (LINAC’s) microstructure (i.e., train of narrow pulses) on devices and the associated transient photocurrent models are investigated. The data indicate that the photocurrent response of Si-based RF bipolar junction transistors and RF p-i-n diodes is considerably higher when taking into account the microstructure effects. Similarly, the response of diamond, SiO 2, and GaAs photoconductive detectors (standard radiation diagnostics) is higher when taking into account the microstructure. This has obvious hardness assurance implications when assessing the transient response of devices because the measured photocurrent and dose rate levels could be underestimated if microstructure effectsmore » are not captured. Indeed, the rate the energy is deposited in a material during the microstructure peaks is much higher than the filtered rate which is traditionally measured. In addition, photocurrent models developed with filtered LINAC data may be inherently inaccurate if a device is able to respond to the microstructure.« less

Understanding the Implications of a LINAC’s Microstructure on Devices and Photocurrent Models

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

McLain, Michael Lee; McDonald, Joseph Kyle; Hembree, Charles E.

Here, the effect of a linear accelerator’s (LINAC’s) microstructure (i.e., train of narrow pulses) on devices and the associated transient photocurrent models are investigated. The data indicate that the photocurrent response of Si-based RF bipolar junction transistors and RF p-i-n diodes is considerably higher when taking into account the microstructure effects. Similarly, the response of diamond, SiO 2, and GaAs photoconductive detectors (standard radiation diagnostics) is higher when taking into account the microstructure. This has obvious hardness assurance implications when assessing the transient response of devices because the measured photocurrent and dose rate levels could be underestimated if microstructure effectsmore » are not captured. Indeed, the rate the energy is deposited in a material during the microstructure peaks is much higher than the filtered rate which is traditionally measured. In addition, photocurrent models developed with filtered LINAC data may be inherently inaccurate if a device is able to respond to the microstructure.« less

A Hybrid Multi-Scale Model of Crystal Plasticity for Handling Stress Concentrations

DOE PAGES

Sun, Shang; Ramazani, Ali; Sundararaghavan, Veera

2017-09-04

Microstructural effects become important at regions of stress concentrators such as notches, cracks and contact surfaces. A multiscale model is presented that efficiently captures microstructural details at such critical regions. The approach is based on a multiresolution mesh that includes an explicit microstructure representation at critical regions where stresses are localized. At regions farther away from the stress concentration, a reduced order model that statistically captures the effect of the microstructure is employed. The statistical model is based on a finite element representation of the orientation distribution function (ODF). As an illustrative example, we have applied the multiscaling method tomore » compute the stress intensity factor K I around the crack tip in a wedge-opening load specimen. The approach is verified with an analytical solution within linear elasticity approximation and is then extended to allow modeling of microstructural effects on crack tip plasticity.« less

A Hybrid Multi-Scale Model of Crystal Plasticity for Handling Stress Concentrations

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

Sun, Shang; Ramazani, Ali; Sundararaghavan, Veera

Microstructural effects become important at regions of stress concentrators such as notches, cracks and contact surfaces. A multiscale model is presented that efficiently captures microstructural details at such critical regions. The approach is based on a multiresolution mesh that includes an explicit microstructure representation at critical regions where stresses are localized. At regions farther away from the stress concentration, a reduced order model that statistically captures the effect of the microstructure is employed. The statistical model is based on a finite element representation of the orientation distribution function (ODF). As an illustrative example, we have applied the multiscaling method tomore » compute the stress intensity factor K I around the crack tip in a wedge-opening load specimen. The approach is verified with an analytical solution within linear elasticity approximation and is then extended to allow modeling of microstructural effects on crack tip plasticity.« less

Microstructure Imaging of Crossing (MIX) White Matter Fibers from diffusion MRI

PubMed Central

Farooq, Hamza; Xu, Junqian; Nam, Jung Who; Keefe, Daniel F.; Yacoub, Essa; Georgiou, Tryphon; Lenglet, Christophe

2016-01-01

Diffusion MRI (dMRI) reveals microstructural features of the brain white matter by quantifying the anisotropic diffusion of water molecules within axonal bundles. Yet, identifying features such as axonal orientation dispersion, density, diameter, etc., in complex white matter fiber configurations (e.g. crossings) has proved challenging. Besides optimized data acquisition and advanced biophysical models, computational procedures to fit such models to the data are critical. However, these procedures have been largely overlooked by the dMRI microstructure community and new, more versatile, approaches are needed to solve complex biophysical model fitting problems. Existing methods are limited to models assuming single fiber orientation, relevant to limited brain areas like the corpus callosum, or multiple orientations but without the ability to extract detailed microstructural features. Here, we introduce a new and versatile optimization technique (MIX), which enables microstructure imaging of crossing white matter fibers. We provide a MATLAB implementation of MIX, and demonstrate its applicability to general microstructure models in fiber crossings using synthetic as well as ex-vivo and in-vivo brain data. PMID:27982056

Competing mechanisms in the wear resistance behavior of biomineralized rod-like microstructures

NASA Astrophysics Data System (ADS)

Escobar de Obaldia, Enrique; Herrera, Steven; Grunenfelder, Lessa Kay; Kisailus, David; Zavattieri, Pablo

2016-11-01

The remarkable mechanical properties observed in biological composite materials relative to those of their individual constituents distinguish them from common engineering materials. Some naturally occurring high-performance ceramics, like the external veneer of the Chiton (Cryptochiton stelleri) tooth, have been shown to have superior hardness and impressive abrasion resistance properties. The mechanical performance of the chiton tooth has been attributed to a hierarchical arrangement of nanostructured magnetite rods surrounded with organic material. While nanoindentation tests provide useful information about the overall performance of this biological composite, understanding the key microstructural features and energy dissipation mechanisms at small scales remains a challenging task. We present a combined experimental/numerical approach to elucidate the role of material deformation in the rods, debonding at the rod interfaces and the influence of energy dissipation mechanisms on the ability of the microstructure to distribute damage under extreme loading conditions. We employ a 3D finite element-based micromechanical model to simulate the nanoindentation tests performed in geological magnetite and cross-sections of the chiton tooth. This proposed model is capable of capturing the inelastic deformation of the rods and the failure of their interfaces, while damage, fracture and fragmentation of the mineralized rods is assessed using a probabilistic function. Our results show that these natural materials achieve their abrasion resistant properties by controlling the interface strength between rods, alleviating the tensile stress on the rods near the indentation tip and therefore decreasing the probability of catastrophic failure without significantly sacrificing resistance to penetration. The understanding of these competing energy dissipating mechanisms provides a path to the prediction of new combination of materials. In turns, these results suggest certain guidelines for abrasion resistance rod-like microstructures in composites with high volume fraction of brittle minerals or ceramics with tailored performance for specific applications.

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.

Inferring Spatial Variations of Microstructural Properties from Macroscopic Mechanical Response

PubMed Central

Liu, Tengxiao; Hall, Timothy J.; Barbone, Paul E.; Oberai, Assad A.

2016-01-01

Disease alters tissue microstructure, which in turn affects the macroscopic mechanical properties of tissue. In elasticity imaging, the macroscopic response is measured and is used to infer the spatial distribution of the elastic constitutive parameters. When an empirical constitutive model is used these parameters cannot be linked to the microstructure. However, when the constitutive model is derived from a microstructural representation of the material, it allows for the possibility of inferring the local averages of the spatial distribution of the microstructural parameters. This idea forms the basis of this study. In particular, we first derive a constitutive model by homogenizing the mechanical response of a network of elastic, tortuous fibers. Thereafter, we use this model in an inverse problem to determine the spatial distribution of the microstructural parameters. We solve the inverse problem as a constrained minimization problem, and develop efficient methods for solving it. We apply these methods to displacement fields obtained by deforming gelatin-agar co-gels, and determine the spatial distribution of agar concentration and fiber tortuosity, thereby demonstrating that it is possible to image local averages of microstructural parameters from macroscopic measurements of deformation. PMID:27655420

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.

Fatigue-Life Prediction Methodology Using Small-Crack Theory

NASA Technical Reports Server (NTRS)

Newmann, James C., Jr.; Phillips, Edward P.; Swain, M. H.

1997-01-01

This paper reviews the capabilities of a plasticity-induced crack-closure model to predict fatigue lives of metallic materials using 'small-crack theory' for various materials and loading conditions. Crack-tip constraint factors, to account for three-dimensional state-of-stress effects, were selected to correlate large-crack growth rate data as a function of the effective-stress-intensity factor range (delta K(eff)) under constant-amplitude loading. Some modifications to the delta k(eff)-rate relations were needed in the near-threshold regime to fit measured small-crack growth rate behavior and fatigue endurance limits. The model was then used to calculate small- and large-crack growth rates, and to predict total fatigue lives, for notched and un-notched specimens made of two aluminum alloys and a steel under constant-amplitude and spectrum loading. Fatigue lives were calculated using the crack-growth relations and microstructural features like those that initiated cracks for the aluminum alloys and steel for edge-notched specimens. An equivalent-initial-flaw-size concept was used to calculate fatigue lives in other cases. Results from the tests and analyses agreed well.

Impact of ghosts on the viscoelastic response of gelatinized corn starch dispersions subjected to small strain deformations.

PubMed

Carrillo-Navas, H; Avila-de la Rosa, G; Gómez-Luría, D; Meraz, M; Alvarez-Ramirez, J; Vernon-Carter, E J

2014-09-22

Corn starch dispersions (5.0% w/w) were gelatinized by heating at 90°C for 20 min using gentle stirring. Under these conditions, ghosts, which are insoluble material with high amylopectin content, were detected by optical microscopy. Strain sweep tests showed that the gelatinized starch dispersions (GSD) exhibited a loss modulus (G″) overshoot at relatively low strains (∼1%). In order to achieve a greater understanding as to the mechanisms giving rise to this uncharacteristic nonlinear response at low strains, very small constant torques (from 0.05 to 0.5 μN m) were applied in the bulk of the GSD with a rotating biconical disc. This resulted in small deformations exhibiting torque-dependent inertio-elastic damped oscillations which were subjected to phenomenological modelling. Inertial effects played an important role in the starch mechanical response. The model parameters varied with the magnitude of constant small applied torque and could be related to microstructural changes of ghosts and to the viscoelastic response of GSD. Copyright © 2014 Elsevier Ltd. All rights reserved.

A hydrodynamic mechanism for spontaneous formation of ordered drop arrays in confined shear flow

NASA Astrophysics Data System (ADS)

Singha, Sagnik; Zurita-Gotor, Mauricio; Loewenberg, Michael; Migler, Kalman; Blawzdziewicz, Jerzy

2017-11-01

It has been experimentally demonstrated that a drop monolayer driven by a confined shear flow in a Couette device can spontaneously arrange into a flow-oriented parallel chain microstructure. However, the hydrodynamic mechanism of this puzzling self-assembly phenomenon has so far eluded explanation. In a recent publication we suggested that the observed spontaneous drop ordering may arise from hydrodynamic interparticle interactions via a far-field quadrupolar Hele-Shaw flow associated with drop deformation. To verify this conjecture we have developed a simple numerical-simulation model that includes the far-field Hele-Shaw flow quadrupoles and a near-field short-range repulsion. Our simulations show that an initially disordered particle configuration self-organizes into a system of particle chains, similar to the experimentally observed drop-chain structures. The initial stage of chain formation is fast; subsequently, microstructural defects in a partially ordered system are removed by slow annealing, leading to an array of equally spaced parallel chains with a small number of defects. The microstructure evolution is analyzed using angular and spatial order parameters and correlation functions. Supported by NSF Grants No. CBET 1603627 and CBET 1603806.

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.

Superplastic behavior of two ultrahigh boron steels

NASA Astrophysics Data System (ADS)

Jiménez, J. A.; González-Doncel, G.; Acosta, P.; Ruano, O. A.

1994-06-01

The high-temperature deformation behavior of two ultrahigh boron steels containing 2.2 pct and 4.9 pct B was investigated. Both alloys were processed via powder metallurgy involving gas atomization and hot isostatic pressing (hipping) at various temperatures. After hipping at 700 °C, the Fe-2.2 pct B alloy showed a fine microstructure consisting of l- µm grains and small elongated borides (less than 1 µm) . At 1100 °C, a coarser microstructure with rounded borides was formed. This alloy was superplastic at 850 °C with stress exponents of about two and tensile elongations as high as 435 pct. The microstructure of the Fe-4.9 pct B alloy was similar to that of the Fe-2.2 pct B alloy showing, in addition, coarse borides. This alloy also showed low stress exponent values but lacked high tensile elongation (less than 65 pct), which was attributed to the presence of stress accumulation at the interface between the matrix and the large borides. A change in the activation energy value at the α-γ transformation temperature was seen in the Fe-2.2 pct B alloy. The plastic flow data were in agreement with grain boundary sliding and slip creep models.

Vapor deposition on doublet airfoil substrates: Control of coating thickness and microstructure

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

Rodgers, Theron M.; Zhao, Hengbei; Wadley, Haydn N. G., E-mail: haydn@virginia.edu

Gas jet assisted vapor deposition processes for depositing coatings are conducted at higher pressures than conventional physical vapor deposition methods, and have shown promise for coating complex shaped substrates including those with non-line-of-sight (NLS) regions on their surface. These regions typically receive vapor atoms at a lower rate and with a wider incident angular distribution than substrate regions in line-of-sight (LS) of the vapor source. To investigate the coating of such substrates, the thickness and microstructure variation along the inner (curved) surfaces of a model doublet airfoil containing both LS and NLS regions has been investigated. Results from atomistic simulationsmore » and experiments confirm that the coating's thickness is thinner in flux-shadowed regions than in other regions for all the coating processes investigated. They also indicated that the coatings columnar microstructure and pore volume fraction vary with surface location through the LS to NLS transition zone. A substrate rotation strategy for optimizing the thickness over the entire doublet airfoil surface was investigated, and led to the identification of a process that resulted in only small variation of coating thickness, columnar growth angle, and pore volume fraction on all doublet airfoil surfaces.« less

Characterization of ultrafine grained Cu-Ni-Si alloys by electron backscatter diffraction

NASA Astrophysics Data System (ADS)

Altenberger, I.; Kuhn, H. A.; Gholami, M.; Mhaede, M.; Wagner, L.

2014-08-01

A combination of rotary swaging and optimized precipitation hardening was applied to generate ultra fine grained (UFG) microstructures in low alloyed high performance Cu-based alloy CuNi3Si1Mg. As a result, ultrafine grained (UFG) microstructures with nanoscopically small Ni2Si-precipitates exhibiting high strength, ductility and electrical conductivity can be obtained. Grain boundary pinning by nano-precipitates enhances the thermal stability. Electron channeling contrast imaging (ECCI) and especially electron backscattering diffraction (EBSD) are predestined to characterize the evolving microstructures due to excellent resolution and vast crystallographic information. The following study summarizes the microstructure after different processing steps and points out the consequences for the most important mechanical and physical properties such as strength, ductility and conductivity.

Effect of temperature, microstructure, and stress state on the low cycle fatigue behavior of Waspaloy

NASA Technical Reports Server (NTRS)

Stahl, D. R.; Antolovich, S. D.; Mirdamadi, M.; Zamrik, S. Y.

1988-01-01

Specimens of Waspaloy of two different microstructures were tested in uniaxial and torsional low-cycle fatigue at 24 and 649 C. For all specimens, deformation and failure mechanisms are found to be independent of stress state at 24 C; in both microstructures, failure is associated with the formation of shear cracks. At 649 C, deformation and failure mechanisms for the fine-grain large gamma-prime specimens are independent of stress state, and the mechanisms are similar to those observed at 24 C. For the coarse-grain small gamma-prime specimens, however, failure occurs on principal planes in torsion and on shear plane in uniaxial tension. The results are interpreted in terms of deformation mode and microstructural instability.

An Integrated Approach Linking Process to Structural Modeling With Microstructural Characterization for Injections-Molded Long-Fiber Thermoplastics

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

Nguyen, Ba Nghiep; Bapanapalli, Satish K.; Smith, Mark T.

2008-09-01

The objective of our work is to enable the optimum design of lightweight automotive structural components using injection-molded long fiber thermoplastics (LFTs). To this end, an integrated approach that links process modeling to structural analysis with experimental microstructural characterization and validation is developed. First, process models for LFTs are developed and implemented into processing codes (e.g. ORIENT, Moldflow) to predict the microstructure of the as-formed composite (i.e. fiber length and orientation distributions). In parallel, characterization and testing methods are developed to obtain necessary microstructural data to validate process modeling predictions. Second, the predicted LFT composite microstructure is imported into amore » structural finite element analysis by ABAQUS to determine the response of the as-formed composite to given boundary conditions. At this stage, constitutive models accounting for the composite microstructure are developed to predict various types of behaviors (i.e. thermoelastic, viscoelastic, elastic-plastic, damage, fatigue, and impact) of LFTs. Experimental methods are also developed to determine material parameters and to validate constitutive models. Such a process-linked-structural modeling approach allows an LFT composite structure to be designed with confidence through numerical simulations. Some recent results of our collaborative research will be illustrated to show the usefulness and applications of this integrated approach.« less

Mechanical and structural model of fractal networks of fat crystals at low deformations.

PubMed

Narine, S S; Marangoni, A G

1999-12-01

Fat-crystal networks demonstrate viscoelastic behavior at very small deformations. A structural model of these networks is described and supported by polarized light and atomic-force microscopy. A mechanical model is described which allows the shear elastic modulus (G') of the system to be correlated with forces acting within the network. The fractal arrangement of the network at certain length scales is taken into consideration. It is assumed that the forces acting are due to van der Waals forces. The final expression for G' is related to the volume fraction of solid fat (Phi) via the mass fractal dimension (D) of the network, which agrees with the experimental verification of the scaling behavior of fat-crystal networks [S. S. Narine and A. G. Marangoni, Phys. Rev. E 59, 1908 (1999)]. G' was also found to be inversely proportional to the diameter of the primary particles (sigma approximately equal to 6 microm) within the network (microstructural elements) as well as to the diameter of the microstructures (xi approximately equal to 100 microm) and inversely proportional to the cube of the intermicrostructural element distance (d(0)). This formulation of the elastic modulus agrees well with experimental observations.

Microstructure effects on the recrystallization of low-symmetry alpha-uranium

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

McCabe, Rodney James; Richards, Andrew Walter; Coughlin, Daniel Robert

2015-10-01

We employ electron backscatter diffraction (EBSD) to investigate microstructural evolution of uranium during recrystallization. To understand the relationship between microstructure and recrystallization, we use measures of intra-granular misorientation within grains and near grain boundaries in both deformed (non-recrystallized) uranium and recrystallizing uranium. The data show that the level of intra-granular misorientation depends on crystallographic orientation. However, contrary to expectation, this relationship does not significantly affect the recrystallization texture. Rather, the analysis suggests that recrystallization nucleation occurs along high angle grain boundaries in the deformed microstructure. Specifically, we show that the nucleation of recrystallized grains correlates well with the spatially heterogeneousmore » distribution of high angle boundaries. Due to the inhomogeneous distribution of high angle boundaries, the recrystallized microstructure after long times exhibits clustered distributions of small and large grains. Twin boundaries do not appear to act as recrystallization nucleation sites.« less

Study of the Effect of Modes of Electroerosion Treatment on the Microstructure and Accuracy of Precision Sizes of Small Parts

NASA Astrophysics Data System (ADS)

Korobova, N. V.; Aksenenko, A. Yu.; Bashevskaya, O. S.; Nikitin, A. A.

2016-01-01

Results of a study of the effect of the parameters of electroerosion treatment in a GF Agie Charmilles CUT 1000 OilTech wire-cutting bench on the size accuracy, the quality of the surface layer of cuts, and the microstructure of the surface of the treated parts are presented.

Mechanical properties and microstructures of a magnesium alloy gas tungsten arc welded with a cadmium chloride flux

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

Zhang, Z.D.; Liu, L.M.; Shen, Y.

2008-01-15

Gas tungsten arc (GTA) welds were prepared on 5-mm thick plates of wrought magnesium AZ31B alloy, using an activated flux. The microstructural characteristics of the weld joint were investigated using optical and scanning microscopy, and the fusion zone microstructure was compared with that of the base metal. The elemental distribution was also investigated by electron probe microanalysis (EPMA). Mechanical properties were determined by standard tensile tests on small-scale specimens. The as-welded fusion zone prepared using a CdCl{sub 2} flux exhibited a larger grain size than that prepared without flux; the microstructure consisted of matrix {alpha}-Mg, eutectic {alpha}-Mg and {beta}-Al{sub 12}Mg{submore » 17}. The HAZ was observed to be slightly wider for the weld prepared with a CdCl{sub 2} flux compared to that prepared without flux; thus the tensile strength was lower for the flux-prepared weld. The fact that neither Cd nor Cl was detected in the weld seam by EPMA indicates that the CdCl{sub 2} flux has a small effect on convection in the weld pool.« 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.

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.

Microfluidic processing of concentrated surfactant mixtures: online SAXS, microscopy and rheology.

PubMed

Martin, Hazel P; Brooks, Nicholas J; Seddon, John M; Luckham, Paul F; Terrill, Nick J; Kowalski, Adam J; Cabral, João T

2016-02-14

We investigate the effect of microfluidic flow on the microstructure and dynamics of a model surfactant mixture, combining synchrotron Small Angle X-ray Scattering (SAXS), microscopy and rheology. A system comprising a single-chain cationic surfactant, hexadecyl trimethyl ammonium chloride (C16TAC), a short-chain alcohol (1-pentanol) and water was selected for the study due to its flow responsiveness and industrial relevance. Model flow fields, including sequential contraction-expansion (extensional) and rotational flows, were investigated and the fluid response in terms of the lamellar d-spacing, orientation and birefringence was monitored in situ, as well as the recovery processes after cessation of flow. Extensional flows are found to result in considerable d-spacing increase (from approx 59 Å to 65 Å). However, under continuous flow, swelling decreases with increasing flow velocity, eventually approaching the equilibrium values at velocities ≃2 cm s(-1). Through individual constrictions we observe the alignment of lamellae along the flow velocity, accompanied by increasing birefringence, followed by an orientation flip whereby lamellae exit perpendicularly to the flow direction. The resulting microstructures are mapped quantitatively onto the flow field in 2D with 200 μm spatial resolution. Rotational flows alone do not result in appreciable changes in lamellar spacing and flow type and magnitude evidently impact the fluid microstructure under flow, as well as upon relaxation. The findings are correlated with rheological properties measured ex situ to provide a mechanistic understanding of the effect of flow imposed by tubular processing units in the phase behavior and performance of a model surfactant system with ubiquitous applications in personal care and coating industries.

Probabilistic Mesomechanical Fatigue Model

NASA Technical Reports Server (NTRS)

Tryon, Robert G.

1997-01-01

A probabilistic mesomechanical fatigue life model is proposed to link the microstructural material heterogeneities to the statistical scatter in the macrostructural response. The macrostructure is modeled as an ensemble of microelements. Cracks nucleation within the microelements and grow from the microelements to final fracture. Variations of the microelement properties are defined using statistical parameters. A micromechanical slip band decohesion model is used to determine the crack nucleation life and size. A crack tip opening displacement model is used to determine the small crack growth life and size. Paris law is used to determine the long crack growth life. The models are combined in a Monte Carlo simulation to determine the statistical distribution of total fatigue life for the macrostructure. The modeled response is compared to trends in experimental observations from the literature.

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

Modeling of Microstructure Evolution During Alloy Solidification

NASA Astrophysics Data System (ADS)

Zhu, Mingfang; Pan, Shiyan; Sun, Dongke

In recent years, considerable advances have been achieved in the numerical modeling of microstructure evolution during solidification. This paper presents the models based on the cellular automaton (CA) technique and lattice Boltzmann method (LBM), which can reproduce a wide variety of solidification microstructure features observed experimentally with an acceptable computational efficiency. The capabilities of the models are addressed by presenting representative examples encompassing a broad variety of issues, such as the evolution of dendritic structure and microsegregation in two and three dimensions, dendritic growth in the presence of convection, divorced eutectic solidification of spheroidal graphite irons, and gas porosity formation. The simulations offer insights into the underlying physics of microstructure formation during alloy solidification.

Microstructural studies of nanocrystalline α-alumina powder produced from Al13-cluster

NASA Astrophysics Data System (ADS)

Harun Al Rashid Megat Ahmad, Megat; Aziz Mohamed, Abdul; Ibrahim, Azmi; Seman Mahmood, Che; Giri Rachman Putra, Edy; Jamro, Rafhayudi; Kasim, Razali; Rawi Muhammad Zin, Muhammad

2007-12-01

Nanocrystalline alumina powder was produced from calcinations of Al13-oxalate precipitates at 1100 °C. A nearly normal distribution of agglomerated alumina powder was obtained with an average particle size of about 1 μm. XRD measurement confirmed that the alumina produced was of high purity and crystalline α-phase. Microstructural features of both the precipitates and alumina obtained were studied using the small angle neutron scattering (SANS) technique. SANS examinations show the formation of microstructures in the alumina powder of mass fractals type with dimension of ˜2.8 indicative of low intra-granular porosity.

Stochastic Analysis and Design of Heterogeneous Microstructural Materials System

NASA Astrophysics Data System (ADS)

Xu, Hongyi

Advanced materials system refers to new materials that are comprised of multiple traditional constituents but complex microstructure morphologies, which lead to superior properties over the conventional materials. To accelerate the development of new advanced materials system, the objective of this dissertation is to develop a computational design framework and the associated techniques for design automation of microstructure materials systems, with an emphasis on addressing the uncertainties associated with the heterogeneity of microstructural materials. Five key research tasks are identified: design representation, design evaluation, design synthesis, material informatics and uncertainty quantification. Design representation of microstructure includes statistical characterization and stochastic reconstruction. This dissertation develops a new descriptor-based methodology, which characterizes 2D microstructures using descriptors of composition, dispersion and geometry. Statistics of 3D descriptors are predicted based on 2D information to enable 2D-to-3D reconstruction. An efficient sequential reconstruction algorithm is developed to reconstruct statistically equivalent random 3D digital microstructures. In design evaluation, a stochastic decomposition and reassembly strategy is developed to deal with the high computational costs and uncertainties induced by material heterogeneity. The properties of Representative Volume Elements (RVE) are predicted by stochastically reassembling SVE elements with stochastic properties into a coarse representation of the RVE. In design synthesis, a new descriptor-based design framework is developed, which integrates computational methods of microstructure characterization and reconstruction, sensitivity analysis, Design of Experiments (DOE), metamodeling and optimization the enable parametric optimization of the microstructure for achieving the desired material properties. Material informatics is studied to efficiently reduce the dimension of microstructure design space. This dissertation develops a machine learning-based methodology to identify the key microstructure descriptors that highly impact properties of interest. In uncertainty quantification, a comparative study on data-driven random process models is conducted to provide guidance for choosing the most accurate model in statistical uncertainty quantification. Two new goodness-of-fit metrics are developed to provide quantitative measurements of random process models' accuracy. The benefits of the proposed methods are demonstrated by the example of designing the microstructure of polymer nanocomposites. This dissertation provides material-generic, intelligent modeling/design methodologies and techniques to accelerate the process of analyzing and designing new microstructural materials system.

Influence of Trabecular Bone on Peri-Implant Stress and Strain Based on Micro-CT Finite Element Modeling of Beagle Dog

PubMed Central

Liao, Sheng-hui; Zhu, Xing-hao; Xie, Jing; Sohodeb, Vikesh Kumar; Ding, Xi

2016-01-01

The objective of this investigation is to analyze the influence of trabecular microstructure modeling on the biomechanical distribution of the implant-bone interface. Two three-dimensional finite element mandible models, one with trabecular microstructure (a refined model) and one with macrostructure (a simplified model), were built. The values of equivalent stress at the implant-bone interface in the refined model increased compared with those of the simplified model and strain on the contrary. The distributions of stress and strain were more uniform in the refined model of trabecular microstructure, in which stress and strain were mainly concentrated in trabecular bone. It was concluded that simulation of trabecular bone microstructure had a significant effect on the distribution of stress and strain at the implant-bone interface. These results suggest that trabecular structures could disperse stress and strain and serve as load buffers. PMID:27403424

Influence of Trabecular Bone on Peri-Implant Stress and Strain Based on Micro-CT Finite Element Modeling of Beagle Dog.

PubMed

Liao, Sheng-Hui; Zhu, Xing-Hao; Xie, Jing; Sohodeb, Vikesh Kumar; Ding, Xi

2016-01-01

The objective of this investigation is to analyze the influence of trabecular microstructure modeling on the biomechanical distribution of the implant-bone interface. Two three-dimensional finite element mandible models, one with trabecular microstructure (a refined model) and one with macrostructure (a simplified model), were built. The values of equivalent stress at the implant-bone interface in the refined model increased compared with those of the simplified model and strain on the contrary. The distributions of stress and strain were more uniform in the refined model of trabecular microstructure, in which stress and strain were mainly concentrated in trabecular bone. It was concluded that simulation of trabecular bone microstructure had a significant effect on the distribution of stress and strain at the implant-bone interface. These results suggest that trabecular structures could disperse stress and strain and serve as load buffers.

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.

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.

Bioorthogonal cyclization-mediated in situ self-assembly of small-molecule probes for imaging caspase activity in vivo

NASA Astrophysics Data System (ADS)

Ye, Deju; Shuhendler, Adam J.; Cui, Lina; Tong, Ling; Tee, Sui Seng; Tikhomirov, Grigory; Felsher, Dean W.; Rao, Jianghong

2014-06-01

Directed self-assembly of small molecules in living systems could enable a myriad of applications in biology and medicine, and already this has been used widely to synthesize supramolecules and nano/microstructures in solution and in living cells. However, controlling the self-assembly of synthetic small molecules in living animals is challenging because of the complex and dynamic in vivo physiological environment. Here we employ an optimized first-order bioorthogonal cyclization reaction to control the self-assembly of a fluorescent small molecule, and demonstrate its in vivo applicability by imaging caspase-3/7 activity in human tumour xenograft mouse models of chemotherapy. The fluorescent nanoparticles assembled in situ were imaged successfully in both apoptotic cells and tumour tissues using three-dimensional structured illumination microscopy. This strategy combines the advantages offered by small molecules with those of nanomaterials and should find widespread use for non-invasive imaging of enzyme activity in vivo.

Correlation Between the Microstructural Defects and Residual Stress in a Single Crystal Nickel-Based Superalloy During Different Creep Stages

NASA Astrophysics Data System (ADS)

Mo, Fangjie; Wu, Erdong; Zhang, Changsheng; Wang, Hong; Zhong, Zhengye; Zhang, Jian; Chen, Bo; Hofmann, Michael; Gan, Weimin; Sun, Guangai

2018-03-01

The present work attempts to reveal the correlation between the microstructural defects and residual stress in the single crystal nickel-based superalloy, both of which play the significant role on properties and performance. Neutron diffraction was employed to investigate the microstructural defects and residual stresses in a single crystal (SC) nickel-based superalloy, which was subjected to creeping under 220 MPa and 1000 °C for different times. The measured superlattice and fundamental lattice reflections confirm that the mismatch and tetragonal distortions with c/a > 1 exist in the SC superalloy. At the initially unstrained state, there exists the angular distortion between γ and γ' phases with small triaxial compressive stresses, ensuring the structural stability of the superalloy. After creeping, the tetragonal distortion for the γ phase is larger than that for the γ' phase. With increasing the creeping time, the mismatch between γ and γ' phases increases to the maximum, then decreases gradually and finally remains unchanged. The macroscopic residual stress shows a similar behavior with the mismatch, indicating the correlation between them. Based on the model of shear and dislocations, the evolution of microstructural defects and residual stress are reasonably explained. The effect of shear is dominant at the primary creep stage, which greatly enlarges the mismatch and the residual stress. The dislocations weaken the effect of shear for the further creep stage, resulting in the decrease of the mismatch and relaxation of the residual stress. Those findings add some helpful understanding into the microstructure-performance relationship in the SC nickel-based superalloy, which might provide the insight to materials design and applications.

Experimental constraints and theoretical bases for microstructural damage in plate boundary shear zones

NASA Astrophysics Data System (ADS)

Skemer, P. A.; Cross, A. J.; Bercovici, D.

2016-12-01

(Ultra)mylonites from plate boundary shear zones are characterized by severe grain-size reduction and well-mixed mineral phases. The evolution from relatively undeformed tectonite protoliths to highly deformed (ultra)mylonites via the formation of new grain and phase boundaries is described as microstructural `damage.' Microstructural damage is important for two reasons: grain-size reduction is thought to result in significant rheological weakening, while phase mixing inhibits mechanical recovery and preserves the zone of weakness to be reactivated repeatedly throughout the tectonic cycle. Grain-size reduction by dynamic recrystallization has been studied extensively in both geologic and engineered materials, yet the progressive mixing of mineral phases during high pressure/temperature shear - the other essential element of damage or mylonitization - is not well understood. In this contribution we present new experimental results and theory related to two distinct phase mixing processes. First, we describe high strain torsion experiments on calcite and anhydrite mixtures and a simple geometric mixing model related to the stretching and thinning of monophase domains. Second, we describe a grain-switching mechanism that is driven by the surface-tension driven migration of newly formed interphase triple junctions. Unlike dynamic recrystallization, which occurs at relatively small strains, both phase mixing mechanisms described here appear to require extremely large strains, a prediction that is consistent with geologic observations. These data suggest that ductile shear zones experience long, transient intervals of microstructural evolution during which rheology is not at steady state. Microstructural damage may be interpreted as the product of several interconnected physical processes, which are collectively essential to the preservation of long-lived, Earth-like plate tectonics.

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 Low-Dose MDCT and Iterative Reconstruction on Trabecular Bone Microstructure Assessment.

PubMed

Kopp, Felix K; Holzapfel, Konstantin; Baum, Thomas; Nasirudin, Radin A; Mei, Kai; Garcia, Eduardo G; Burgkart, Rainer; Rummeny, Ernst J; Kirschke, Jan S; Noël, Peter B

2016-01-01

We investigated the effects of low-dose multi detector computed tomography (MDCT) in combination with statistical iterative reconstruction algorithms on trabecular bone microstructure parameters. Twelve donated vertebrae were scanned with the routine radiation exposure used in our department (standard-dose) and a low-dose protocol. Reconstructions were performed with filtered backprojection (FBP) and maximum-likelihood based statistical iterative reconstruction (SIR). Trabecular bone microstructure parameters were assessed and statistically compared for each reconstruction. Moreover, fracture loads of the vertebrae were biomechanically determined and correlated to the assessed microstructure parameters. Trabecular bone microstructure parameters based on low-dose MDCT and SIR significantly correlated with vertebral bone strength. There was no significant difference between microstructure parameters calculated on low-dose SIR and standard-dose FBP images. However, the results revealed a strong dependency on the regularization strength applied during SIR. It was observed that stronger regularization might corrupt the microstructure analysis, because the trabecular structure is a very small detail that might get lost during the regularization process. As a consequence, the introduction of SIR for trabecular bone microstructure analysis requires a specific optimization of the regularization parameters. Moreover, in comparison to other approaches, superior noise-resolution trade-offs can be found with the proposed methods.

Mathematical modeling of microstructural development in hypoeutectic cast iron

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

Maijer, D.; Cockcroft, S.L.; Patt, W.

A mathematical heat-transfer/microstructural model has been developed to predict the evolution of proeutectic austenite, white iron eutectic, and gray iron eutectic during solidification of hypoeutectic cast iron, based on the commercial finite-element code ABAQUS. Specialized routines which employ relationships describing nucleation and growth of equiaxed primary austenite, gray iron eutectic, and white iron eutectic have been formulated and incorporated into ABAQUS through user-specified subroutines. The relationships used in the model to describe microstructural evolution have been adapted from relationships describing equiaxed growth in the literature. The model has been validated/fine tuned against temperature data collected from a QuiK-Cup sample, whichmore » contained a thermocouple embedded approximately in the center of the casting. The phase distribution predicted with the model has been compared to the measured phase distribution inferred from the variation in hardness within the QuiK-Cup sample and from image analysis of photomicrographs of the polished and etched microstructure. Overall, the model results were found to agree well with the measured distribution of the microstructure.« less

Constitutive models for a poly(e-caprolactone) scaffold.

PubMed

Quinn, T P; Oreskovic, T L; McCowan, C N; Washburn, N R

2004-01-01

We investigate material models for a porous, polymeric scaffold used for bone. The material was made by co-extruding poly(e-caprolactone) (PCL), a biodegradable polyester, and poly(ethylene oxide) (PEO). The water soluble PEO was removed resulting in a porous scaffold. The stress-strain curve in compression was fit with a phenomenological model in hyperbolic form. This material model will be useful for designers for quasi-static analysis as it provides a simple form that can easily be used in finite element models. The ASTM D-1621 standard recommends using a secant modulus based on 10% strain. The resulting modulus has a smaller scatter in its value compared to the coefficients of the hyperbolic model, and it is therefore easier to compare material processing differences and ensure quality of the scaffold. A third material model was constructed from images of the microstructure. Each pixel of the micrographs was represented with a brick finite element and assigned the Young's modulus of bulk PCL or a value of 0 for a pore. A compressive strain was imposed on the model and the resulting stresses were calculated. The elastic constants of the scaffold were then computed using Hooke's law for a linear-elastic isotropic material. The model was able to predict the small strain Young's modulus measured in the experiments to within one standard deviation. Thus, by knowing the microstructure of the scaffold, its bulk properties can be predicted from the material properties of the constituents.

3D geometrical characterization and modelling of solid oxide cells electrodes microstructure by image analysis

NASA Astrophysics Data System (ADS)

Moussaoui, H.; Debayle, J.; Gavet, Y.; Delette, G.; Hubert, M.; Cloetens, P.; Laurencin, J.

2017-03-01

A strong correlation exists between the performance of Solid Oxide Cells (SOCs), working either in fuel cell or electrolysis mode, and their electrodes microstructure. However, the basic relationships between the three-dimensional characteristics of the microstructure and the electrode properties are not still precisely understood. Thus, several studies have been recently proposed in an attempt to improve the knowledge of such relations, which are essential before optimizing the microstructure, and hence, designing more efficient SOC electrodes. In that frame, an original model has been adapted to generate virtual 3D microstructures of typical SOCs electrodes. Both the oxygen electrode, which is made of porous LSCF, and the hydrogen electrodes, made of porous Ni-YSZ, have been studied. In this work, the synthetic microstructures are generated by the so-called 3D Gaussian `Random Field model'. The morphological representativeness of the virtual porous media have been validated on real 3D electrode microstructures of a commercial cell, obtained by X-ray nano-tomography at the European Synchrotron Radiation Facility (ESRF). This validation step includes the comparison of the morphological parameters like the phase covariance function and granulometry as well as the physical parameters like the `apparent tortuosity'. Finally, this validated tool will be used, in forthcoming studies, to identify the optimal microstructure of SOCs.

Bioinspired toughening mechanism: lesson from dentin.

PubMed

An, Bingbing; Zhang, Dongsheng

2015-07-09

Inspired by the unique microstructure of dentin, in which the hard peritubular dentin surrounding the dentin tubules is embedded in the soft intertubular dentin, we explore the crack propagation in the bioinspired materials with fracture process zone possessing a dentin-like microstructure, i.e. the composite structure consisting of a soft matrix and hard reinforcements with cylindrical voids. A micromechanical model under small-scale yielding conditions is developed, and numerical simulations are performed, showing that the rising resistant curve (R-curve) is observed for crack propagation caused by the plastic collapse of the intervoid ligaments in the fracture process zone. The dentin-like microstructure in the fracture process zone exhibits enhanced fracture toughness, compared with the case of voids embedded in the homogeneous soft matrix. Further computational simulations show that the dentin-like microstructure can retard void growth, thereby promoting fracture toughness. The typical fracture mechanism of the bioinspired materials with fracture process zone possessing the dentin-like structure is void by void growth, while it is the multiple void interaction in the case of voids in the homogeneous matrix. Based on the results, we propose a bioinspired material design principle, which is that the combination of a hard inner material encompassing voids and a soft outer material in the fracture process zone can give rise to exceptional fracture toughness, achieving damage tolerance. It is expected that the proposed design principle could shed new light on the development of novel man-made engineering materials.

The microstructure of laterally seeded silicon-on-oxide

NASA Astrophysics Data System (ADS)

Pinizzotto, R. F.; Lam, H. W.; Vaandrager, B. L.

1982-03-01

The production of large scale integrated circuits in thin silicon films on insulating substrates is currently of much interest in the electronics industry. One of the most promising techniques of forming this composite structure is by lateral seeding. We have used optical microscopy and transmission electron microscopy to characterize the microstructure of silicon-on-oxide formed by scanning CW laser induced lateral epitaxy. The primary defects are dislocations. Dislocation rearrangement leads to the formation of both small angle boundaries (stable, regular dislocation arrays) and grain boundaries. The grains were found to be misoriented to the <100> direction perpendicular to the film plane by ≤ 4° and to the <100> directions in the plane of the film by ≤ 2°. Internal reflection twins are a common defect. Microtwinning was found to occur at the vertical step caused by the substrate-oxide interface if the substrate to oxide step height was > 120 nm. The microstructure is continuous across successive scan lines. Microstructural defects are found to initiate at the same topographical location in different oxide pads. We propose that this is due to the meeting of two crystallization growth fronts. The liquid silicon between the fronts causes large stresses in this area because of the 9% volume increase during solidification. The defects observed in the bulk may form by a similar mechanism or by dislocation generation at substrate-oxide interface irregularities. The models predict that slower growth leads to improved material quality. This has been observed experimentally.

Analysis of small crack behavior for airframe applications

NASA Technical Reports Server (NTRS)

Mcclung, R. C.; Chan, K. S.; Hudak, S. J., Jr.; Davidson, D. L.

1994-01-01

The small fatigue crack problem is critically reviewed from the perspective of airframe applications. Different types of small cracks-microstructural, mechanical, and chemical-are carefully defined and relevant mechanisms identified. Appropriate analysis techniques, including both rigorous scientific and practical engineering treatments, are briefly described. Important materials data issues are addressed, including increased scatter in small crack data and recommended small crack test methods. Key problems requiring further study are highlighted.

Statistical models and NMR analysis of polymer microstructure

USDA-ARS?s Scientific Manuscript database

Statistical models can be used in conjunction with NMR spectroscopy to study polymer microstructure and polymerization mechanisms. Thus, Bernoullian, Markovian, and enantiomorphic-site models are well known. Many additional models have been formulated over the years for additional situations. Typica...

The Influence of Impurities and Metallic Capping Layers on the Microstructure of Copper Interconnects

NASA Astrophysics Data System (ADS)

Rizzolo, Michael

As copper interconnects have scaled to ever smaller dimensions on semiconductor devices, the microstructure has become increasingly detrimental for performance and reliability. Small grains persist in interconnects despite annealing at high temperatures, leading to higher line resistance and more frequent electromigration-induced failures. Conventionally, it was believed that impurities from the electrodeposition pinned grain growth, but limitations in analytical techniques meant the effect was inferred rather than observed. Recent advances in analytical techniques, however, have enabled this work to quantify impurity content, location, and diffusion in relation to microstructural changes in electroplated copper. Surface segregation of impurities during the initial burst of grain growth was investigated. After no surface segregation was observed, a microfluidic plating cell was constructed to plate multilayer films with regions of intentionally high and low impurity concentrations to determine if grain growth could be pinned by the presence of impurities; it was not. An alternate mechanism for grain boundary pinning based on the texture of the seed layer is proposed, supported by time-resolved transmission electron microscopy and transmission electron backscatter diffraction data. The suggested model posits that the seed in narrow features has no preferred orientation, which results in rapid nucleation of subsurface grains in trench regions prior to recrystallization from the overburden down. These rapidly growing grains are able to block off several trenches from the larger overburden grains, inhibiting grain growth in narrow features. With this knowledge in hand, metallic capping layers were employed to address the problematic microstructure in 70nm lines. The capping layers (chromium, nickel, zinc, and tin) were plated on the copper overburden prior to annealing to manipulate the stress gradient and microstructural development during annealing. It appeared that regardless of as-plated stress, nickel capping altered the recrystallized texture of the copper over patterned features. The nickel capping also caused a 2x increase in the number of advantageous 'bamboo' grains that span the entire trench, which effectively block electromigration pathways. These data provides a more fundamental understanding of manipulating the microstructure in copper interconnects using pre-anneal capping layers, and demonstrates a strategy to improve the microstructure beyond the capabilities of simple annealing.

On Efficient Multigrid Methods for Materials Processing Flows with Small Particles

NASA Technical Reports Server (NTRS)

Thomas, James (Technical Monitor); Diskin, Boris; Harik, VasylMichael

2004-01-01

Multiscale modeling of materials requires simulations of multiple levels of structural hierarchy. The computational efficiency of numerical methods becomes a critical factor for simulating large physical systems with highly desperate length scales. Multigrid methods are known for their superior efficiency in representing/resolving different levels of physical details. The efficiency is achieved by employing interactively different discretizations on different scales (grids). To assist optimization of manufacturing conditions for materials processing with numerous particles (e.g., dispersion of particles, controlling flow viscosity and clusters), a new multigrid algorithm has been developed for a case of multiscale modeling of flows with small particles that have various length scales. The optimal efficiency of the algorithm is crucial for accurate predictions of the effect of processing conditions (e.g., pressure and velocity gradients) on the local flow fields that control the formation of various microstructures or clusters.

Fatigue life and crack growth prediction methodology

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.; Phillips, E. P.; Everett, R. A., Jr.

1993-01-01

The capabilities of a plasticity-induced crack-closure model and life-prediction code to predict fatigue crack growth and fatigue lives of metallic materials are reviewed. Crack-tip constraint factors, to account for three-dimensional effects, were selected to correlate large-crack growth rate data as a function of the effective-stress-intensity factor range (delta(K(sub eff))) under constant-amplitude loading. Some modifications to the delta(K(sub eff))-rate relations were needed in the near threshold regime to fit small-crack growth rate behavior and endurance limits. The model was then used to calculate small- and large-crack growth rates, and in some cases total fatigue lives, for several aluminum and titanium alloys under constant-amplitude, variable-amplitude, and spectrum loading. Fatigue lives were calculated using the crack growth relations and microstructural features like those that initiated cracks. Results from the tests and analyses agreed well.

Efficient 3D porous microstructure reconstruction via Gaussian random field and hybrid optimization.

PubMed

Jiang, Z; Chen, W; Burkhart, C

2013-11-01

Obtaining an accurate three-dimensional (3D) structure of a porous microstructure is important for assessing the material properties based on finite element analysis. Whereas directly obtaining 3D images of the microstructure is impractical under many circumstances, two sets of methods have been developed in literature to generate (reconstruct) 3D microstructure from its 2D images: one characterizes the microstructure based on certain statistical descriptors, typically two-point correlation function and cluster correlation function, and then performs an optimization process to build a 3D structure that matches those statistical descriptors; the other method models the microstructure using stochastic models like a Gaussian random field and generates a 3D structure directly from the function. The former obtains a relatively accurate 3D microstructure, but computationally the optimization process can be very intensive, especially for problems with large image size; the latter generates a 3D microstructure quickly but sacrifices the accuracy due to issues in numerical implementations. A hybrid optimization approach of modelling the 3D porous microstructure of random isotropic two-phase materials is proposed in this paper, which combines the two sets of methods and hence maintains the accuracy of the correlation-based method with improved efficiency. The proposed technique is verified for 3D reconstructions based on silica polymer composite images with different volume fractions. A comparison of the reconstructed microstructures and the optimization histories for both the original correlation-based method and our hybrid approach demonstrates the improved efficiency of the approach. © 2013 The Authors Journal of Microscopy © 2013 Royal Microscopical Society.

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

Computational study of dislocation based mechanisms in FCC materials

NASA Astrophysics Data System (ADS)

Yellakara, Ranga Nikhil

Understanding the relationships between microstructures and properties of materials is a key to developing new materials with more suitable qualities or employing the appropriate materials in special uses. In the present world of material research, the main focus is on microstructural control to cost-effectively enhance properties and meet performance specifications. This present work is directed towards improving the fundamental understanding of the microscale deformation mechanisms and mechanical behavior of metallic alloys, particularly focusing on face centered cubic (FCC) structured metals through a unique computational methodology called three-dimensional dislocation dynamics (3D-DD). In these simulations, the equations of motion for dislocations are mathematically solved to determine the evolution and interaction of dislocations. Microstructure details and stress-strain curves are a direct observation in the simulation and can be used to validate experimental results. The effect of initial dislocation microstructure on the yield strength has been studied. It has been shown that dislocation density based crystal plasticity formulations only work when dislocation densities/numbers are sufficiently large so that a statistically accurate description of the microstructure can be obtainable. The evolution of the flow stress for grain sizes ranging from 0.5 to 10 mum under uniaxial tension was simulated using an improvised model by integrating dislocation pile-up mechanism at grain boundaries has been performed. This study showed that for a same initial dislocation density, the Hall--Petch relationship holds well at small grain sizes (0.5--2 mum), beyond which the yield strength remains constant as the grain size increases. Various dislocation-particle interaction mechanisms have been introduced and investigations were made on their effect on the uniaxial tensile properties. These studies suggested that increase in particle volume fraction and decrease in particle size has contributed to the strength of these alloys. This work has been successful of capturing complex dislocation mechanisms that involves interactions with particles during the deformation of particle hardened FCC alloys. Finally, the DD model has been extended into studying the cyclic behavior of FCC metallic alloys. This study showed that the strength as well as the cyclic hardening increases due to grain refinement and increase in particle volume fraction. It also showed that the cyclic deformation of ultra-fine grained (UFG) material have undergone cyclic softening at all plastic strain amplitudes. The results provided very useful quantitative information for developing future fatigue models.

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

Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale

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

Foulk, James W.; Alleman, Coleman N.; Mota, Alejandro

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. To resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. In this study, the authors demonstrate the use of concurrent multi- scale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeledmore » with a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J 2 plas- ticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. Beyond cases studies in concurrent multiscale, we explore progress in crystal plastic- ity through modular designs, solution methodologies, model verification, and extensions to Sierra/SM and manycore applications. Advances in conformal microstructures having both hexahedral and tetrahedral workflows in Sculpt and Cubit are highlighted. A structure-property case study in two-phase metallic composites applies the Materials Knowledge System to local metrics for void evolution. Discussion includes lessons learned, future work, and a summary of funded efforts and proposed work. Finally, an appendix illustrates the need for two-way coupling through a single degree of freedom.« less

Interactive local super-resolution reconstruction of whole-body MRI mouse data: a pilot study with applications to bone and kidney metastases.

PubMed

Dzyubachyk, Oleh; Khmelinskii, Artem; Plenge, Esben; Kok, Peter; Snoeks, Thomas J A; Poot, Dirk H J; Löwik, Clemens W G M; Botha, Charl P; Niessen, Wiro J; van der Weerd, Louise; Meijering, Erik; Lelieveldt, Boudewijn P F

2014-01-01

In small animal imaging studies, when the locations of the micro-structures of interest are unknown a priori, there is a simultaneous need for full-body coverage and high resolution. In MRI, additional requirements to image contrast and acquisition time will often make it impossible to acquire such images directly. Recently, a resolution enhancing post-processing technique called super-resolution reconstruction (SRR) has been demonstrated to improve visualization and localization of micro-structures in small animal MRI by combining multiple low-resolution acquisitions. However, when the field-of-view is large relative to the desired voxel size, solving the SRR problem becomes very expensive, in terms of both memory requirements and computation time. In this paper we introduce a novel local approach to SRR that aims to overcome the computational problems and allow researchers to efficiently explore both global and local characteristics in whole-body small animal MRI. The method integrates state-of-the-art image processing techniques from the areas of articulated atlas-based segmentation, planar reformation, and SRR. A proof-of-concept is provided with two case studies involving CT, BLI, and MRI data of bone and kidney tumors in a mouse model. We show that local SRR-MRI is a computationally efficient complementary imaging modality for the precise characterization of tumor metastases, and that the method provides a feasible high-resolution alternative to conventional MRI.

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

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

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

DOE PAGES

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.; ...

2016-04-25

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

Role of Microstructure on the Performance of UHTCs

NASA Technical Reports Server (NTRS)

Johnson, Sylvia M.; Gasch, Matthew J.; Lawson, John W.; Gusman, Michael I.; Stackpoole, Mairead

2010-01-01

We have investigated a number of methods to control microstructure. We have routes to form: a) in situ "composites" b) Very fine microstructures. Arcjet testing and other characterization of monolithic materials. Control oxidation through microstructure and composition. Beginning to incorporate these materials as matrices for composites. Modeling effort to facilitate material design and characterization.

Enabling continuous-flow chemistry in microstructured devices for pharmaceutical and fine-chemical production.

PubMed

Kockmann, Norbert; Gottsponer, Michael; Zimmermann, Bertin; Roberge, Dominique M

2008-01-01

Microstructured devices offer unique transport capabilities for rapid mixing, enhanced heat and mass transfer and can handle small amounts of dangerous or unstable materials. The integration of reaction kinetics into fluid dynamics and transport phenomena is essential for successful application from process design in laboratory to chemical production. Strategies to implement production campaigns up to tons of pharmaceutical chemicals are discussed, based on Lonza projects.

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

Mechanical Properties of Materials with Nanometer Scale Microstructures

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

William D. Nix

2004-10-31

We have been engaged in research on the mechanical properties of materials with nanometer-scale microstructural dimensions. Our attention has been focused on studying the mechanical properties of thin films and interfaces and very small volumes of material. Because the dimensions of thin film samples are small (typically 1 mm in thickness, or less), specialized mechanical testing techniques based on nanoindentation, microbeam bending and dynamic vibration of micromachined structures have been developed and used. Here we report briefly on some of the results we have obtained over the past three years. We also give a summary of all of the dissertations,more » talks and publications completed on this grant during the past 15 years.« 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

SiC Fiber-Reinforced Celsian Composites

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.

2003-01-01

Celsian is a promising matrix material for fiber-reinforced composites for high temperature structural applications. Processing and fabrication of small diameter multifilament silicon carbide tow reinforced celsian matrix composites are described. Mechanical and microstructural properties of these composites at ambient and elevated temperatures are presented. Effects of high-temperature exposures in air on the mechanical behavior of these composites are also given. The composites show mechanical integrity up to 1100 C but degrade at higher temperatures in oxidizing atmospheres. A model has been proposed for the degradation of these composites in oxidizing atmospheres at high temperatures.

A Monte Carlo-finite element model for strain energy controlled microstructural evolution - 'Rafting' in superalloys

NASA Technical Reports Server (NTRS)

Gayda, J.; Srolovitz, D. J.

1989-01-01

This paper presents a specialized microstructural lattice model, MCFET (Monte Carlo finite element technique), which simulates microstructural evolution in materials in which strain energy has an important role in determining morphology. The model is capable of accounting for externally applied stress, surface tension, misfit, elastic inhomogeneity, elastic anisotropy, and arbitrary temperatures. The MCFET analysis was found to compare well with the results of analytical calculations of the equilibrium morphologies of isolated particles in an infinite matrix.

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

Surface chemistry and microstructure of metallic biomaterials for hip and knee endoprostheses

NASA Astrophysics Data System (ADS)

Jenko, Monika; Gorenšek, Matevž; Godec, Matjaž; Hodnik, Maxinne; Batič, Barbara Šetina; Donik, Črtomir; Grant, John T.; Dolinar, Drago

2018-01-01

The surface chemistry and microstructures of titanium alloys (both new and used) and CoCrMo alloys used for hip and knee endoprostheses were determined using SEM (morphology), EBSD (phase analysis), AES and XPS (surface chemistry). Two new and two used endoprostheses were studied. The SEM SE and BE images showed their microstructures, while the EBSD provided the phases of the materials. During the production of the hip and knee endoprostheses, these materials are subject to severe thermomechanical treatments and physicochemical processes that are decisive for CoCrMo alloys. The AES and XPS results showed that thin oxide films on (a) Ti6Al4V are primarily a mixture of TiO2 with a small amount of Al2O3, while the V is depleted, (b) Ti6Al7Nb is primarily a mixture of TiO2 with a small amount of Al2O3 and Nb2O5, and (c) the CoCrMo alloy is primarily a mixture of Cr2O3 with small amounts of Co and Mo oxides. The thin oxide film on the CoCrMo alloy should prevent intergranular corrosion and improve the biocompatibility. The thin oxide films on the Ti alloys prevent further corrosion, improve the biocompatibility, and affect the osseointegration.

2-Point microstructure archetypes for improved elastic properties

NASA Astrophysics Data System (ADS)

Adams, Brent L.; Gao, Xiang

2004-01-01

Rectangular models of material microstructure are described by their 1- and 2-point (spatial) correlation statistics of placement of local state. In the procedure described here the local state space is described in discrete form; and the focus is on placement of local state within a finite number of cells comprising rectangular models. It is illustrated that effective elastic properties (generalized Hashin Shtrikman bounds) can be obtained that are linear in components of the correlation statistics. Within this framework the concept of an eigen-microstructure within the microstructure hull is useful. Given the practical innumerability of the microstructure hull, however, we introduce a method for generating a sequence of archetypes of eigen-microstructure, from the 2-point correlation statistics of local state, assuming that the 1-point statistics are stationary. The method is illustrated by obtaining an archetype for an imaginary two-phase material where the objective is to maximize the combination C_{xxxx}^{*} + C_{xyxy}^{*}

Microstructural evaluation of cumulative fatigue damage in a plant component sample

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

Fukuoka, C.; Nakagawa, Y.G.; Yoshida, K.

1996-12-31

Fatigue damage accumulated in a real plant was evaluated in terms of microstructural conditioning. Microstructural damage induced in laboratory by cyclic deformation near and below the fatigue limit was also examined. A Transmission Electron Microscopy (TEM) technique called the Selected Area Diffraction (SAD) method was employed in this study. In earlier studies, it was found that the SAD value indicating a magnitude of crystallographic misorientation in the substructure (dislocation cells) was increasing with the increase of fatigue damage accumulation. Small samples removed from PWR feed water nozzle welds were examined by the SAD. It was found that the damage statemore » measured by the SAD well agreed with the morphological evidence. Cyclic stresses near or below the fatigue limit were applied to samples taken from a SA508 steel plate at various stresses. The SAD value increased even below the fatigue limit, but there was no sign of microstructural conditioning below the stresses of 50% of the fatigue limit. These results suggested that at stresses below the current design curve (below half the fatigue limit) no microstructural conditioning proceeded. It was concluded that the microstructural method was effective to evaluate damage accumulation in real plant components, and also that the current design curve was adequate in terms of microstructural conditioning state.« less

Creating physically-based three-dimensional microstructures: Bridging phase-field and crystal plasticity models.

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

Lim, Hojun; Owen, Steven J.; Abdeljawad, Fadi F.

In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct linkmore » between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.« less

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.

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.

A simple microstructure return model explaining microstructure noise and Epps effects

NASA Astrophysics Data System (ADS)

Saichev, A.; Sornette, D.

2014-01-01

We present a novel simple microstructure model of financial returns that combines (i) the well-known ARFIMA process applied to tick-by-tick returns, (ii) the bid-ask bounce effect, (iii) the fat tail structure of the distribution of returns and (iv) the non-Poissonian statistics of inter-trade intervals. This model allows us to explain both qualitatively and quantitatively important stylized facts observed in the statistics of both microstructure and macrostructure returns, including the short-ranged correlation of returns, the long-ranged correlations of absolute returns, the microstructure noise and Epps effects. According to the microstructure noise effect, volatility is a decreasing function of the time-scale used to estimate it. The Epps effect states that cross correlations between asset returns are increasing functions of the time-scale at which the returns are estimated. The microstructure noise is explained as the result of the negative return correlations inherent in the definition of the bid-ask bounce component (ii). In the presence of a genuine correlation between the returns of two assets, the Epps effect is due to an average statistical overlap of the momentum of the returns of the two assets defined over a finite time-scale in the presence of the long memory process (i).

Phase-field simulation of microstructure formation in technical castings - A self-consistent homoenthalpic approach to the micro-macro problem

NASA Astrophysics Data System (ADS)

Böttger, B.; Eiken, J.; Apel, M.

2009-10-01

Performing microstructure simulation of technical casting processes suffers from the strong interdependency between latent heat release due to local microstructure formation and heat diffusion on the macroscopic scale: local microstructure formation depends on the macroscopic heat fluxes and, in turn, the macroscopic temperature solution depends on the latent heat release, and therefore on the microstructure formation, in all parts of the casting. A self-consistent homoenthalpic approximation to this micro-macro problem is proposed, based on the assumption of a common enthalpy-temperature relation for the whole casting which is used for the description of latent heat production on the macroscale. This enthalpy-temperature relation is iteratively obtained by phase-field simulations on the microscale, thus taking into account the specific morphological impact on the latent heat production. This new approach is discussed and compared to other approximations for the coupling of the macroscopic heat flux to complex microstructure models. Simulations are performed for the binary alloy Al-3at%Cu, using a multiphase-field solidification model which is coupled to a thermodynamic database. Microstructure formation is simulated for several positions in a simple model plate casting, using a one-dimensional macroscopic temperature solver which can be directly coupled to the microscopic phase-field simulation tool.

Study of the Influence of Metallurgical Factors on Fatigue and Fracture of Aerospace Structural Materials

DTIC Science & Technology

1989-03-01

11 II. MICROSTRUCTURE/ PROPERTY RELATIONSHIPS IN ADVANCED 12 STRUCTURAL ALLOYS A. Research Objectives 12 B. Summary of Research Efforts 12 1. Fracture...relationship is needed. Figure 5. Correlation between crack growth rates and effective 7 AK for small and large fatigue cracks in a titanium aluminide ...Microstructural/ Property Relationships in Advanced Structural Alloys Table I. Tensile and Fracture Properties of A-Fe-X Alloys in the 13 LT

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.

Effects of white matter microstructure on phase and susceptibility maps.

PubMed

Wharton, Samuel; Bowtell, Richard

2015-03-01

To investigate the effects on quantitative susceptibility mapping (QSM) and susceptibility tensor imaging (STI) of the frequency variation produced by the microstructure of white matter (WM). The frequency offsets in a WM tissue sample that are not explained by the effect of bulk isotropic or anisotropic magnetic susceptibility, but rather result from the local microstructure, were characterized for the first time. QSM and STI were then applied to simulated frequency maps that were calculated using a digitized whole-brain, WM model formed from anatomical and diffusion tensor imaging data acquired from a volunteer. In this model, the magnitudes of the frequency contributions due to anisotropy and microstructure were derived from the results of the tissue experiments. The simulations suggest that the frequency contribution of microstructure is much larger than that due to bulk effects of anisotropic magnetic susceptibility. In QSM, the microstructure contribution introduced artificial WM heterogeneity. For the STI processing, the microstructure contribution caused the susceptibility anisotropy to be significantly overestimated. Microstructure-related phase offsets in WM yield artifacts in the calculated susceptibility maps. If susceptibility mapping is to become a robust MRI technique, further research should be carried out to reduce the confounding effects of microstructure-related frequency contributions. © 2014 Wiley Periodicals, Inc.

Effects of White Matter Microstructure on Phase and Susceptibility Maps

PubMed Central

Wharton, Samuel; Bowtell, Richard

2015-01-01

Purpose To investigate the effects on quantitative susceptibility mapping (QSM) and susceptibility tensor imaging (STI) of the frequency variation produced by the microstructure of white matter (WM). Methods The frequency offsets in a WM tissue sample that are not explained by the effect of bulk isotropic or anisotropic magnetic susceptibility, but rather result from the local microstructure, were characterized for the first time. QSM and STI were then applied to simulated frequency maps that were calculated using a digitized whole-brain, WM model formed from anatomical and diffusion tensor imaging data acquired from a volunteer. In this model, the magnitudes of the frequency contributions due to anisotropy and microstructure were derived from the results of the tissue experiments. Results The simulations suggest that the frequency contribution of microstructure is much larger than that due to bulk effects of anisotropic magnetic susceptibility. In QSM, the microstructure contribution introduced artificial WM heterogeneity. For the STI processing, the microstructure contribution caused the susceptibility anisotropy to be significantly overestimated. Conclusion Microstructure-related phase offsets in WM yield artifacts in the calculated susceptibility maps. If susceptibility mapping is to become a robust MRI technique, further research should be carried out to reduce the confounding effects of microstructure-related frequency contributions. Magn Reson Med 73:1258–1269, 2015. © 2014 Wiley Periodicals, Inc. PMID:24619643

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.

SMRT: A new, modular snow microwave radiative transfer model

NASA Astrophysics Data System (ADS)

Picard, Ghislain; Sandells, Melody; Löwe, Henning; Dumont, Marie; Essery, Richard; Floury, Nicolas; Kontu, Anna; Lemmetyinen, Juha; Maslanka, William; Mätzler, Christian; Morin, Samuel; Wiesmann, Andreas

2017-04-01

Forward models of radiative transfer processes are needed to interpret remote sensing data and derive measurements of snow properties such as snow mass. A key requirement and challenge for microwave emission and scattering models is an accurate description of the snow microstructure. The snow microwave radiative transfer model (SMRT) was designed to cater for potential future active and/or passive satellite missions and developed to improve understanding of how to parameterize snow microstructure. SMRT is implemented in Python and is modular to allow easy intercomparison of different theoretical approaches. Separate modules are included for the snow microstructure model, electromagnetic module, radiative transfer solver, substrate, interface reflectivities, atmosphere and permittivities. An object-oriented approach is used with carefully specified exchanges between modules to allow future extensibility i.e. without constraining the parameter list requirements. This presentation illustrates the capabilities of SMRT. At present, five different snow microstructure models have been implemented, and direct insertion of the autocorrelation function from microtomography data is also foreseen with SMRT. Three electromagnetic modules are currently available. While DMRT-QCA and Rayleigh models need specific microstructure models, the Improved Born Approximation may be used with any microstructure representation. A discrete ordinates approach with stream connection is used to solve the radiative transfer equations, although future inclusion of 6-flux and 2-flux solvers are envisioned. Wrappers have been included to allow existing microwave emission models (MEMLS, HUT, DMRT-QMS) to be run with the same inputs and minimal extra code (2 lines). Comparisons between theoretical approaches will be shown, and evaluation against field experiments in the frequency range 5-150 GHz. SMRT is simple and elegant to use whilst providing a framework for future development within the community.

Time-Resolved In Situ Measurements During Rapid Alloy Solidification: Experimental Insight for Additive Manufacturing

NASA Astrophysics Data System (ADS)

McKeown, Joseph T.; Zweiacker, Kai; Liu, Can; Coughlin, Daniel R.; Clarke, Amy J.; Baldwin, J. Kevin; Gibbs, John W.; Roehling, John D.; Imhoff, Seth D.; Gibbs, Paul J.; Tourret, Damien; Wiezorek, Jörg M. K.; Campbell, Geoffrey H.

2016-03-01

Additive manufacturing (AM) of metals and alloys is becoming a pervasive technology in both research and industrial environments, though significant challenges remain before widespread implementation of AM can be realized. In situ investigations of rapid alloy solidification with high spatial and temporal resolutions can provide unique experimental insight into microstructure evolution and kinetics that are relevant for AM processing. Hypoeutectic thin-film Al-Cu and Al-Si alloys were investigated using dynamic transmission electron microscopy to monitor pulsed-laser-induced rapid solidification across microsecond timescales. Solid-liquid interface velocities measured from time-resolved images revealed accelerating solidification fronts in both alloys. The observed microstructure evolution, solidification product, and presence of a morphological instability at the solid-liquid interface in the Al-4 at.%Cu alloy are related to the measured interface velocities and small differences in composition that affect the thermophysical properties of the alloys. These time-resolved in situ measurements can inform and validate predictive modeling efforts for AM.

Time-Resolved In Situ Measurements During Rapid Alloy Solidification: Experimental Insight for Additive Manufacturing

DOE PAGES

McKeown, Joseph T.; Zweiacker, Kai; Liu, Can; ...

2016-01-27

In research and industrial environments, additive manufacturing (AM) of metals and alloys is becoming a pervasive technology, though significant challenges remain before widespread implementation of AM can be realized. In situ investigations of rapid alloy solidification with high spatial and temporal resolutions can provide unique experimental insight into microstructure evolution and kinetics that are relevant for AM processing. Hypoeutectic thin-film Al–Cu and Al–Si alloys were investigated using dynamic transmission electron microscopy to monitor pulsed-laser-induced rapid solidification across microsecond timescales. Solid–liquid interface velocities measured from time-resolved images revealed accelerating solidification fronts in both alloys. We observed microstructure evolution, solidification product, andmore » presence of a morphological instability at the solid–liquid interface in the Al–4 at.%Cu alloy are related to the measured interface velocities and small differences in composition that affect the thermophysical properties of the alloys. These time-resolved in situ measurements can inform and validate predictive modeling efforts for AM.« less

Modeling the Homogenization Kinetics of As-Cast U-10wt% Mo alloys

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

Xu, Zhijie; Joshi, Vineet; Hu, Shenyang Y.

2016-01-15

Low-enriched U-22at% Mo (U-10Mo) alloy has been considered as an alternative material to replace the highly enriched fuels in research reactors. For the U-10Mo to work effectively and replace the existing fuel material, a thorough understanding of the microstructure development from as-cast to the final formed structure is required. The as-cast microstructure typically resembles an inhomogeneous microstructure with regions containing molybdenum-rich and -lean regions, which may affect the processing and possibly the in-reactor performance. This as-cast structure must be homogenized by thermal treatment to produce a uniform Mo distribution. The development of a modeling capability will improve the understanding ofmore » the effect of initial microstructures on the Mo homogenization kinetics. In the current work, we investigated the effect of as-cast microstructure on the homogenization kinetics. The kinetics of the homogenization was modeled based on a rigorous algorithm that relates the line scan data of Mo concentration to the gray scale in energy dispersive spectroscopy images, which was used to generate a reconstructed Mo concentration map. The map was then used as realistic microstructure input for physics-based homogenization models, where the entire homogenization kinetics can be simulated and validated against the available experiment data at different homogenization times and temperatures.« less

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

Automated Bone Segmentation and Surface Evaluation of a Small Animal Model of Post-Traumatic Osteoarthritis.

PubMed

Ramme, Austin J; Voss, Kevin; Lesporis, Jurinus; Lendhey, Matin S; Coughlin, Thomas R; Strauss, Eric J; Kennedy, Oran D

2017-05-01

MicroCT imaging allows for noninvasive microstructural evaluation of mineralized bone tissue, and is essential in studies of small animal models of bone and joint diseases. Automatic segmentation and evaluation of articular surfaces is challenging. Here, we present a novel method to create knee joint surface models, for the evaluation of PTOA-related joint changes in the rat using an atlas-based diffeomorphic registration to automatically isolate bone from surrounding tissues. As validation, two independent raters manually segment datasets and the resulting segmentations were compared to our novel automatic segmentation process. Data were evaluated using label map volumes, overlap metrics, Euclidean distance mapping, and a time trial. Intraclass correlation coefficients were calculated to compare methods, and were greater than 0.90. Total overlap, union overlap, and mean overlap were calculated to compare the automatic and manual methods and ranged from 0.85 to 0.99. A Euclidean distance comparison was also performed and showed no measurable difference between manual and automatic segmentations. Furthermore, our new method was 18 times faster than manual segmentation. Overall, this study describes a reliable, accurate, and automatic segmentation method for mineralized knee structures from microCT images, and will allow for efficient assessment of bony changes in small animal models of PTOA.

Prediction of microstructure, residual stress, and deformation in laser powder bed fusion process

NASA Astrophysics Data System (ADS)

Yang, Y. P.; Jamshidinia, M.; Boulware, P.; Kelly, S. M.

2018-05-01

Laser powder bed fusion (L-PBF) process has been investigated significantly to build production parts with a complex shape. Modeling tools, which can be used in a part level, are essential to allow engineers to fine tune the shape design and process parameters for additive manufacturing. This study focuses on developing modeling methods to predict microstructure, hardness, residual stress, and deformation in large L-PBF built parts. A transient sequentially coupled thermal and metallurgical analysis method was developed to predict microstructure and hardness on L-PBF built high-strength, low-alloy steel parts. A moving heat-source model was used in this analysis to accurately predict the temperature history. A kinetics based model which was developed to predict microstructure in the heat-affected zone of a welded joint was extended to predict the microstructure and hardness in an L-PBF build by inputting the predicted temperature history. The tempering effect resulting from the following built layers on the current-layer microstructural phases were modeled, which is the key to predict the final hardness correctly. It was also found that the top layers of a build part have higher hardness because of the lack of the tempering effect. A sequentially coupled thermal and mechanical analysis method was developed to predict residual stress and deformation for an L-PBF build part. It was found that a line-heating model is not suitable for analyzing a large L-PBF built part. The layer heating method is a potential method for analyzing a large L-PBF built part. The experiment was conducted to validate the model predictions.

Prediction of microstructure, residual stress, and deformation in laser powder bed fusion process

NASA Astrophysics Data System (ADS)

Yang, Y. P.; Jamshidinia, M.; Boulware, P.; Kelly, S. M.

2017-12-01

Laser powder bed fusion (L-PBF) process has been investigated significantly to build production parts with a complex shape. Modeling tools, which can be used in a part level, are essential to allow engineers to fine tune the shape design and process parameters for additive manufacturing. This study focuses on developing modeling methods to predict microstructure, hardness, residual stress, and deformation in large L-PBF built parts. A transient sequentially coupled thermal and metallurgical analysis method was developed to predict microstructure and hardness on L-PBF built high-strength, low-alloy steel parts. A moving heat-source model was used in this analysis to accurately predict the temperature history. A kinetics based model which was developed to predict microstructure in the heat-affected zone of a welded joint was extended to predict the microstructure and hardness in an L-PBF build by inputting the predicted temperature history. The tempering effect resulting from the following built layers on the current-layer microstructural phases were modeled, which is the key to predict the final hardness correctly. It was also found that the top layers of a build part have higher hardness because of the lack of the tempering effect. A sequentially coupled thermal and mechanical analysis method was developed to predict residual stress and deformation for an L-PBF build part. It was found that a line-heating model is not suitable for analyzing a large L-PBF built part. The layer heating method is a potential method for analyzing a large L-PBF built part. The experiment was conducted to validate the model predictions.

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.

Micromechanical modeling of elastic properties of cortical bone accounting for anisotropy of dense tissue.

PubMed

Salguero, Laura; Saadat, Fatemeh; Sevostianov, Igor

2014-10-17

The paper analyzes the connection between microstructure of the osteonal cortical bone and its overall elastic properties. The existing models either neglect anisotropy of the dense tissue or simplify cortical bone microstructure (accounting for Haversian canals only). These simplifications (related mostly to insufficient mathematical apparatus) complicate quantitative analysis of the effect of microstructural changes - produced by age, microgravity, or some diseases - on the overall mechanical performance of cortical bone. The present analysis fills this gap; it accounts for anisotropy of the dense tissue and uses realistic model of the porous microstructure. The approach is based on recent results of Sevostianov et al. (2005) and Saadat et al. (2012) on inhomogeneities in a transversely-isotropic material. Bone's microstructure is modeled according to books of Martin and Burr (1989), Currey (2002), and Fung (1993) and includes four main families of pores. The calculated elastic constants for porous cortical bone are in agreement with available experimental data. The influence of each of the pore types on the overall moduli is examined. Copyright © 2014 Elsevier Ltd. All rights reserved.

3D microstructural evolution of primary recrystallization and grain growth in cold rolled single-phase aluminum alloys

NASA Astrophysics Data System (ADS)

Adam, Khaled; Zöllner, Dana; Field, David P.

2018-04-01

Modeling the microstructural evolution during recrystallization is a powerful tool for the profound understanding of alloy behavior and for use in optimizing engineering properties through annealing. In particular, the mechanical properties of metallic alloys are highly dependent upon evolved microstructure and texture from the softening process. In the present work, a Monte Carlo (MC) Potts model was used to model the primary recrystallization and grain growth in cold rolled single-phase Al alloy. The microstructural representation of two kinds of dislocation densities, statistically stored dislocations and geometrically necessary dislocations were quantified based on the ViscoPlastic Fast Fourier transform method. This representation was then introduced into the MC Potts model to identify the favorable sites for nucleation where orientation gradients and entanglements of dislocations are high. Additionally, in situ observations of non-isothermal microstructure evolution for single-phase aluminum alloy 1100 were made to validate the simulation. The influence of the texture inhomogeneity is analyzed from a theoretical point of view using an orientation distribution function for deformed and evolved texture.

Environmental fatigue of an Al-Li-Cu alloy. Part 2: Microscopic hydrogen cracking processes

NASA Technical Reports Server (NTRS)

Piascik, Robert S.; Gangloff, Richard P.

1992-01-01

Based on a fractographic analysis of fatigue crack propagation (FCP) in Al-Li-Cu alloy 2090 stressed in a variety of inert and embrittling environments, microscopic crack paths are identified and correlated with intrinsic da/dN-delta K kinetics. FCP rates in 2090 are accelerated by hydrogen producing environments (pure water vapor, moist air, and aqueous NaCl), as defined in Part 1. For these cases, subgrain boundary fatigue cracking (SGC) dominates for delta K values where the crack tip process zone, a significant fraction of the cyclic plastic zone, is sufficiently large to envelop 5 micron subgrains in the unrecrystallized microstructure. SGC may be due to strong hydrogen trapping at T1 precipitates concentrated at sub-boundaries. At low delta K, the plastic zone diameter is smaller than the subgrain size and FCP progresses along (100) planes due to either local lattice decohesion or aluminum-lithium hydride cracking. For inert environments (vacuum, helium, and oxygen), or at high delta K where the hydrogen effect on da/dN is small, FCP is along (111) slip planes; this mode does not transition with increasing delta K and plastic zone size. The SGC and (100) crystallographic cracking modes, and the governing influence of the crack tip process zone volume (delta K), support hydrogen embrittlement rather than a surface film rupture and anodic dissolution mechanism for environmental FCP. Multi-sloped log da/dN-log delta K behavior is produced by changes in process zone hydrogen-microstructure interactions, and not by purely micromechanical-microstructure interactions, in contradiction to microstructural distance-based fatigue models.

Accelerated Microstructure Imaging via Convex Optimization (AMICO) from diffusion MRI data.

PubMed

Daducci, Alessandro; Canales-Rodríguez, Erick J; Zhang, Hui; Dyrby, Tim B; Alexander, Daniel C; Thiran, Jean-Philippe

2015-01-15

Microstructure imaging from diffusion magnetic resonance (MR) data represents an invaluable tool to study non-invasively the morphology of tissues and to provide a biological insight into their microstructural organization. In recent years, a variety of biophysical models have been proposed to associate particular patterns observed in the measured signal with specific microstructural properties of the neuronal tissue, such as axon diameter and fiber density. Despite very appealing results showing that the estimated microstructure indices agree very well with histological examinations, existing techniques require computationally very expensive non-linear procedures to fit the models to the data which, in practice, demand the use of powerful computer clusters for large-scale applications. In this work, we present a general framework for Accelerated Microstructure Imaging via Convex Optimization (AMICO) and show how to re-formulate this class of techniques as convenient linear systems which, then, can be efficiently solved using very fast algorithms. We demonstrate this linearization of the fitting problem for two specific models, i.e. ActiveAx and NODDI, providing a very attractive alternative for parameter estimation in those techniques; however, the AMICO framework is general and flexible enough to work also for the wider space of microstructure imaging methods. Results demonstrate that AMICO represents an effective means to accelerate the fit of existing techniques drastically (up to four orders of magnitude faster) while preserving accuracy and precision in the estimated model parameters (correlation above 0.9). We believe that the availability of such ultrafast algorithms will help to accelerate the spread of microstructure imaging to larger cohorts of patients and to study a wider spectrum of neurological disorders. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

The co-evolution of microstructure features in self-ion irradiated HT9 at very high damage levels

NASA Astrophysics Data System (ADS)

Getto, E.; Vancoevering, G.; Was, G. S.

2017-02-01

Understanding the void swelling and phase evolution of reactor structural materials at very high damage levels is essential to maintaining safety and longevity of components in Gen IV fast reactors. A combination of ion irradiation and modeling was utilized to understand the microstructure evolution of ferritic-martensitic alloy HT9 at high dpa. Self-ion irradiation experiments were performed on alloy HT9 to determine the co-evolution of voids, dislocations and precipitates up to 650 dpa at 460 °C. Modeling of microstructure evolution was conducted using the modified Radiation Induced Microstructure Evolution (RIME) model, which utilizes a mean field rate theory approach with grouped cluster dynamics. Irradiations were performed with 5 MeV raster-scanned Fe2+ ions on samples pre-implanted with 10 atom parts per million He. The swelling, dislocation and precipitate evolution at very high dpa was determined using Analytical Electron Microscopy in Scanning Transmission Electron Microscopy (STEM) mode. Experimental results were then interpreted using the RIME model. A microstructure consisting only of dislocations and voids is insufficient to account for the swelling evolution observed experimentally at high damage levels in a complicated microstructure such as irradiated alloy HT9. G phase was found to have a minimal effect on either void or dislocation evolution. M2X played two roles; a variable biased sink for defects, and as a vehicle for removal of carbon from solution, thus promoting void growth. When accounting for all microstructure interactions, swelling at high damage levels is a dynamic process that continues to respond to other changes in the microstructure as long as they occur.

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.

Elongated Tetrakaidecahedron Micromechanics Model for Space Shuttle External Tank Foams

NASA Technical Reports Server (NTRS)

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

2009-01-01

The results of microstructural characterization studies and physical and mechanical testing of BX-265 and NCFI24-124 foams are reported. A micromechanics model developed previously by the authors is reviewed, and the resulting equations for the elastic constants, the relative density, and the strength of the foam in the principal material directions are presented. The micromechanics model is also used to derive equations to predict the effect of vacuum on the tensile strength and the strains induced by exposure to vacuum. Using a combination of microstructural dimensions and physical and mechanical measurements as input, the equations for the elastic constants and the relative density are applied and the remaining microstructural dimensions are predicted. The predicted microstructural dimensions are in close agreement with the average measured values for both BX-265 and NCFI24-124. With the microstructural dimensions, the model predicts the ratio of the strengths in the principal material directions for both foams. The model is also used to predict the Poisson s ratios, the vacuum-induced strains, and the effect of vacuum on the tensile strengths. However, the comparison of these predicted values with the measured values is not as favorable.

Characterization and reconstruction of 3D stochastic microstructures via supervised learning.

PubMed

Bostanabad, R; Chen, W; Apley, D W

2016-12-01

The need for computational characterization and reconstruction of volumetric maps of stochastic microstructures for understanding the role of material structure in the processing-structure-property chain has been highlighted in the literature. Recently, a promising characterization and reconstruction approach has been developed where the essential idea is to convert the digitized microstructure image into an appropriate training dataset to learn the stochastic nature of the morphology by fitting a supervised learning model to the dataset. This compact model can subsequently be used to efficiently reconstruct as many statistically equivalent microstructure samples as desired. The goal of this paper is to build upon the developed approach in three major directions by: (1) extending the approach to characterize 3D stochastic microstructures and efficiently reconstruct 3D samples, (2) improving the performance of the approach by incorporating user-defined predictors into the supervised learning model, and (3) addressing potential computational issues by introducing a reduced model which can perform as effectively as the full model. We test the extended approach on three examples and show that the spatial dependencies, as evaluated via various measures, are well preserved in the reconstructed samples. © 2016 The Authors Journal of Microscopy © 2016 Royal Microscopical Society.

Effect of Microstructure on Diffusional Solidification of 4343/3005/4343 Multi-Layer Aluminum Brazing Sheet

NASA Astrophysics Data System (ADS)

Tu, Yiyou; Tong, Zhen; Jiang, Jianqing

2013-04-01

The effect of microstructure on clad/core interactions during the brazing of 4343/3005/4343 multi-layer aluminum brazing sheet was investigated employing differential scanning calorimetry (DSC) and electron back-scattering diffraction (EBSD). The thickness of the melted clad layer gradually decreased during the brazing operation. It could be completely removed isothermally as a result of diffusional solidification at the brazing temperature. During the brazing cycle, the rate of loss of the melt in the brazing sheet, with small equiaxed grains' core layer, was higher than that with the core layer consisting of elongated large grains. The difference in microstructure affected the amount of liquid formed during brazing.

Fluorescence and multilayer structure of the scorpion cuticle

NASA Astrophysics Data System (ADS)

Chen, Yu-Jen; Chiu, Pei-Ju; Lee, Cheng-Chung

2015-09-01

We collect the scorpions, Isometrus maculates, in different instars to analyze the photoluminescence (PL), micro-structure of cuticles and their correlation. The photoluminescence is excited by 405 nm solid laser in room temperature and detected by BWtek BRC 112E spectrometer. The result shows that the intensity of photoluminescence positively correlate to instars of scorpion. The images of micro-structures of cuticles captured by scanning electron microscope (SEM) present the multilayer structure in detail. The samples are prepared in small piece to ensure that the PL and SEM data are caught from the same area. The correlation between instars and intensity of photoluminescence is explained according to micro-structures via the thin-film optics theory.

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

Nagata, Kohki, E-mail: nagata.koki@iri-tokyo.jp; School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571; Ogura, Atsushi

The effects of the fabrication process conditions on the microstructure of silicon dioxide thin films of <10 nm thickness are presented. The microstructure was investigated using grazing-incidence wide and small-angle X-ray scattering methods with synchrotron radiation. The combination of a high brilliance light source and grazing incident configuration enabled the observation of very weak diffuse X-ray scattering from SiO{sub 2} thin films. The results revealed different microstructures, which were dependent on oxidizing species or temperature. The micro-level properties differed from bulk properties reported in the previous literature. It was indicated that these differences originate from inner stress. The detailed structure inmore » an amorphous thin film was not revealed owing to detection difficulties.« less

From Solidification Processing to Microstructure to Mechanical Properties: A Multi-scale X-ray Study of an Al-Cu Alloy Sample

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

Tourret, D.; Mertens, J. C. E.; Lieberman, E.

We follow an Al-12 at. pct Cu alloy sample from the liquid state to mechanical failure, using in situ X-ray radiography during directional solidification and tensile testing, as well as three-dimensional computed tomography of the microstructure before and after mechanical testing. The solidification processing stage is simulated with a multi-scale dendritic needle network model, and the micromechanical behavior of the solidified microstructure is simulated using voxelized tomography data and an elasto-viscoplastic fast Fourier transform model. This study demonstrates the feasibility of direct in situ monitoring of a metal alloy microstructure from the liquid processing stage up to its mechanical failure,more » supported by quantitative simulations of microstructure formation and its mechanical behavior.« less

From Solidification Processing to Microstructure to Mechanical Properties: A Multi-scale X-ray Study of an Al-Cu Alloy Sample

DOE PAGES

Tourret, D.; Mertens, J. C. E.; Lieberman, E.; ...

2017-09-13

We follow an Al-12 at. pct Cu alloy sample from the liquid state to mechanical failure, using in situ X-ray radiography during directional solidification and tensile testing, as well as three-dimensional computed tomography of the microstructure before and after mechanical testing. The solidification processing stage is simulated with a multi-scale dendritic needle network model, and the micromechanical behavior of the solidified microstructure is simulated using voxelized tomography data and an elasto-viscoplastic fast Fourier transform model. This study demonstrates the feasibility of direct in situ monitoring of a metal alloy microstructure from the liquid processing stage up to its mechanical failure,more » supported by quantitative simulations of microstructure formation and its mechanical behavior.« less

From Solidification Processing to Microstructure to Mechanical Properties: A Multi-scale X-ray Study of an Al-Cu Alloy Sample

NASA Astrophysics Data System (ADS)

Tourret, D.; Mertens, J. C. E.; Lieberman, E.; Imhoff, S. D.; Gibbs, J. W.; Henderson, K.; Fezzaa, K.; Deriy, A. L.; Sun, T.; Lebensohn, R. A.; Patterson, B. M.; Clarke, A. J.

2017-11-01

We follow an Al-12 at. pct Cu alloy sample from the liquid state to mechanical failure, using in situ X-ray radiography during directional solidification and tensile testing, as well as three-dimensional computed tomography of the microstructure before and after mechanical testing. The solidification processing stage is simulated with a multi-scale dendritic needle network model, and the micromechanical behavior of the solidified microstructure is simulated using voxelized tomography data and an elasto-viscoplastic fast Fourier transform model. This study demonstrates the feasibility of direct in situ monitoring of a metal alloy microstructure from the liquid processing stage up to its mechanical failure, supported by quantitative simulations of microstructure formation and its mechanical behavior.

Twin related domains in 3D microstructures of conventionally processed and grain boundary engineered materials

DOE PAGES

Lind, Jonathan; Li, Shiu Fai; Kumar, Mukul

2016-05-20

The concept of twin-limited microstructures has been explored in the literature as a crystallographically constrained grain boundary network connected via only coincident site lattice (CSL) boundaries. The advent of orientation imaging has made classification of twin-related domains (TRD) or any other orientation cluster experimentally accessible in 2D using EBSD. With the emergence of 3D orientation mapping, a comparison of TRDs in measured 3D microstructures is performed in this paper and compared against their 2D counterparts. The TRD analysis is performed on a conventionally processed (CP) and a grain boundary engineered (EM) high purity copper sample that have been subjected tomore » successive anneal procedures to promote grain growth. Finally, the EM sample shows extremely large TRDs which begin to approach that of a twin-limited microstructure, while the TRDs in the CP sample remain relatively small and remote.« less

Strain Characterization and Microstructure Evolution Under Deformation in 2060 Alloy

NASA Astrophysics Data System (ADS)

Jin, X.; Zhang, G. D.; Zhao, Y. F.; Xue, F.

2018-05-01

A new method of DIC combined with EBSD is developed for the characterization of strain and microstructure evolution during bending. The traditional microhardness point and DIC methods are used to study the microstructure evolution in 2060 alloy during bending; the interested area suffers under tensile stress, the microstructure evolution is collected by SEM, EBSD, digital image correlation (DIC) method during bending. The results shows that the DIC method can both realize the strain tensor characterization of the interested area, and can also express the local strain tensor in the micro-area even more. The degree of grain division in the process of deformation is related to the strain in this region; the grains have larger strain of small angle grain boundary (SLGBs), which results in a new micro-organizational structure. The misorientation is smaller with larger strain degree while the misorientation is larger with smaller strain.

Microstructural evolution of pure tungsten neutron irradiated with a mixed energy spectrum

NASA Astrophysics Data System (ADS)

Koyanagi, Takaaki; Kumar, N. A. P. Kiran; Hwang, Taehyun; Garrison, Lauren M.; Hu, Xunxiang; Snead, Lance L.; Katoh, Yutai

2017-07-01

Microstructures of single-crystal bulk tungsten (W) and polycrystalline W foil with a strong grain texture were investigated using transmission electron microscopy following neutron irradiation at ∼90-800 °C to 0.03-4.6 displacements per atom (dpa) in the High Flux Isotope Reactor with a mixed energy spectrum. The dominant irradiation defects were dislocation loops and small clusters at ∼90 °C. Additional voids were formed in W irradiated at above 460 °C. Voids and precipitates involving transmutation rhenium and osmium were the dominant defects at more than ∼1 dpa. We found a new phenomenon of microstructural evolution in irradiated polycrystalline W: Re- and Os-rich precipitation along grain boundaries. Comparison of results between this study and previous studies using different irradiation facilities revealed that the microstructural evolution of pure W is highly dependent on the neutron energy spectrum in addition to the irradiation temperature and dose.

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.

Multi-Scale Computational Modeling of Ni-Base Superalloy Brazed Joints for Gas Turbine Applications

NASA Astrophysics Data System (ADS)

Riggs, Bryan

Brazed joints are commonly used in the manufacture and repair of aerospace components including high temperature gas turbine components made of Ni-base superalloys. For such critical applications, it is becoming increasingly important to account for the mechanical strength and reliability of the brazed joint. However, material properties of brazed joints are not readily available and methods for evaluating joint strength such as those listed in AWS C3.2 have inherent challenges compared with testing bulk materials. In addition, joint strength can be strongly influenced by the degree of interaction between the filler metal (FM) and the base metal (BM), the joint design, and presence of flaws or defects. As a result, there is interest in the development of a multi-scale computational model to predict the overall mechanical behavior and fitness-for-service of brazed joints. Therefore, the aim of this investigation was to generate data and methodology to support such a model for Ni-base superalloy brazed joints with conventional Ni-Cr-B based FMs. Based on a review of the technical literature a multi-scale modeling approach was proposed to predict the overall performance of brazed joints by relating mechanical properties to the brazed joint microstructure. This approach incorporates metallurgical characterization, thermodynamic/kinetic simulations, mechanical testing, fracture mechanics and finite element analysis (FEA) modeling to estimate joint properties based on the initial BM/FM composition and brazing process parameters. Experimental work was carried out in each of these areas to validate the multi-scale approach and develop improved techniques for quantifying brazed joint properties. Two Ni-base superalloys often used in gas turbine applications, Inconel 718 and CMSX-4, were selected for study and vacuum furnace brazed using two common FMs, BNi-2 and BNi-9. Metallurgical characterization of these brazed joints showed two primary microstructural regions; a soft, ductile a-Ni phase that formed at the joint interface and a hard, brittle multi-phase centerline eutectic. CrB and Ni3B type borides were identified in the eutectic region via electron probe micro-analysis, and a boron diffusion gradient was observed in the BM adjacent to the joint. The volume fraction of centerline eutectic was found to be highly dependent on the extent of the boron diffusion that occurred during brazing and therefore a function of the primary process parameters; hold time, temperature, FM/BM composition, and joint gap. Thermo-Calc(TM) and DICTRA(TM) simulations were used to model the BM dissolution, isothermal solidification and phase transformations that occurred during brazing to predict the final joint microstructure based on these process parameters. Good agreement was found between experimental and simulated joint microstructures at various joint gaps demonstrating the application of these simulations for brazed joints. However, thermodynamic/kinetic databases available for brazing FMs were limited. A variety of mechanical testing was performed to determine the mechanical properties of CMSX-4/BNi-2 and IN718/BNi-2 brazed joints including small-scale tensile tests, standard-size butt joints and lap shear tests. Small-scale tensile testing provided a novel method for studying microstructure-property relationships in brazed joints and indicated that both joint strength and ductility decrease significantly with an increase in the volume fraction of centerline eutectic. In-situ observations during small-scale testing also showed strain localization and crack initiation occurs around the hard, eutectic phases in the joint microstructure during loading. The average tensile strength for standard-size IN718/BNi-2 butt joints containing a low volume fraction of centerline eutectic was found to be 152.8 ksi approximately 90% of the BM yield strength (˜170 ksi). The average lap shear FM stress was found to decrease from 70 to 20 ksi for IN718/BNi-2 joints and from 50 to 15 ksi for CMSX-4/BNi-2 as the overlap was increased from 1T to 5T due to non-uniform stress/strain distribution across the joint. Digital image correlation techniques and FEA models of the lap shear brazed joints were developed to assess the strain distributions across the overlap. Results were used to validate the use of damage zone models for predicting the load carrying capacity of lap shear brazed joints and suggest that the damage zone is independent of the overlap length. To account for the presence of flaws and defects in fitness-for-service assessments of brazed joints determination of the average fracture toughness (KIC) is necessary. Currently no standard exists to measure the KIC for brazed joints, so three test methods were evaluated in this investigation on IN718/BNi-2 brazed joints. The compact tension and double cantilever beam test methods were found to give the most conservative KIC values of 16.42 and 14.42 ksivin respectively. Linear-elastic FEA models of the test specimens were used to validate the calculated KIC values. Similar to joint strength the fracture toughness appeared to be strongly influenced by the volume fraction of centerline eutectic phases. (Abstract shortened by ProQuest.).

Microstructures and Mechanical Properties of 12Cr1MoVG Tube Welded Joints With/Without Post-weld Heat Treatment

NASA Astrophysics Data System (ADS)

Wang, Jingjing; Sun, Jian; Yu, Xinhai; Chen, Guohong; Fu, Qiuhua; Gao, Chao; Tang, Wenming

2017-10-01

Small-caliber, thick-wall 12Cr1MoVG seamless steel tube welded joints were fabricated in this study by gas tungsten arc welding and shielded metal arc welding techniques, then the microstructures, mechanical properties, and residual stress distributions of the joints with or without post-weld heat treatment (PWHT) were compared. The welded joints are mainly composed of bcc ferrite (F), Fe3C, and M7C3 carbides. PWHT did not cause an apparent microstructure evolution in the joints, but promoted granular pearlite decomposition and growth of F grains and carbides, therefore decreasing the yield, tensile strength, and hardness while increasing the impact toughness and elongation of the welded joints. PWHT also released the circumferential residual stress and altered the stress state in the joint from tensile to compressive. Although the mechanical properties and bending performance of the small-caliber, thick-wall 12Cr1MoVG seamless welded joints without PWHT are acceptable, our results show that the joints with PWHT are more reliable.

An investigation on microstructure and mechanical property of thermally aged stainless steel weld overlay cladding

NASA Astrophysics Data System (ADS)

Cao, X. Y.; Zhu, P.; Ding, X. F.; Lu, Y. H.; Shoji, T.

2017-04-01

Microstructural evolution and mechanical property change of E308L stainless steel weld overlay cladding aged at 400 °C for 400, 1000 and 5000 h were investigated by transmission electron microscope (TEM) and small punch test (SPT). The results indicated that thermal aging had no obvious effect on the volume fraction of ferrite, but can cause microstructural evolution by spinodal decomposotion and G-phase precipitation in the ferrite phase. Spinodal decomposition took place after aging up to 1000 h, while G-phase formed along dislocations, and growed up to 2-11 nm after aging for 5000 h. The total energy for inducing deformation and fracture by the small punch tests decreased with the increase of thermal aging time, and this decline was associated with spinodal decomposition and G-phase precipitation. Plastic deformation of the aged ferrite proceeded via formation of curvilinear slip bands. Nucleation of microcracks occurred at the δ/γ interface along the slip bands. The hardening of the ferrite and high stress concentration on δ/γ phase interface resulted in brittle fracture and phase boundary separation after thermal aging.

3D Imaging of a Dislocation Loop at the Onset of Plasticity in an Indented Nanocrystal.

PubMed

Dupraz, M; Beutier, G; Cornelius, T W; Parry, G; Ren, Z; Labat, S; Richard, M-I; Chahine, G A; Kovalenko, O; De Boissieu, M; Rabkin, E; Verdier, M; Thomas, O

2017-11-08

Structural quality and stability of nanocrystals are fundamental problems that bear important consequences for the performances of small-scale devices. Indeed, at the nanoscale, their functional properties are largely influenced by elastic strain and depend critically on the presence of crystal defects. It is thus of prime importance to be able to monitor, by noninvasive means, the stability of the microstructure of nano-objects against external stimuli such as mechanical load. Here we demonstrate the potential of Bragg coherent diffraction imaging for such measurements, by imaging in 3D the evolution of the microstructure of a nanocrystal exposed to in situ mechanical loading. Not only could we observe the evolution of the internal strain field after successive loadings, but we also evidenced a transient microstructure hosting a stable dislocation loop. The latter is fully characterized from its characteristic displacement field. The mechanical behavior of this small crystal is clearly at odds with what happens in bulk materials where many dislocations interact. Moreover, this original in situ experiment opens interesting possibilities for the investigation of plastic deformation at the nanoscale.

Three Dimensional Characterization of Tin Crystallography and Cu6Sn5 Intermetallics in Solder Joints by Multiscale Tomography

NASA Astrophysics Data System (ADS)

Kirubanandham, A.; Lujan-Regalado, I.; Vallabhaneni, R.; Chawla, N.

2016-11-01

Decreasing pitch size in electronic packaging has resulted in a drastic decrease in solder volumes. The Sn grain crystallography and fraction of intermetallic compounds (IMCs) in small-scale solder joints evolve much differently at the smaller length scales. A cross-sectional study limits the morphological analysis of microstructural features to two dimensions. This study utilizes serial sectioning technique in conjunction with electron backscatter diffraction to investigate the crystallographic orientation of both Sn grains and Cu6Sn5 IMCs in Cu/Pure Sn/Cu solder joints in three dimensional (3D). Quantification of grain aspect ratio is affected by local cooling rate differences within the solder volume. Backscatter electron imaging and focused ion beam serial sectioning enabled the visualization of morphology of both nanosized Cu6Sn5 IMCs and the hollow hexagonal morphology type Cu6Sn5 IMCs in 3D. Quantification and visualization of microstructural features in 3D thus enable us to better understand the microstructure and deformation mechanics within these small scale solder joints.

Probing Phase Transformations and Microstructural Evolutions at the Small Scales: Synchrotron X-ray Microdiffraction for Advanced Applications in [Phase 3 Memory,] 3D IC (Integrated Circuits) and Solar PV (Photovoltaic) Devices

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

Radchenko, I.; Tippabhotla, S. K.; Tamura, N.

2016-10-21

Synchrotron x-ray microdiffraction (μXRD) allows characterization of a crystalline material in small, localized volumes. Phase composition, crystal orientation and strain can all be probed in few-second time scales. Crystalline changes over a large areas can be also probed in a reasonable amount of time with submicron spatial resolution. However, despite all the listed capabilities, μXRD is mostly used to study pure materials but its application in actual device characterization is rather limited. This article will explore the recent developments of the μXRD technique illustrated with its advanced applications in microelectronic devices and solar photovoltaic systems. Application of μXRD in microelectronicsmore » will be illustrated by studying stress and microstructure evolution in Cu TSV (through silicon via) during and after annealing. Here, the approach allowing study of the microstructural evolution in the solder joint of crystalline Si solar cells due to thermal cycling will be also demonstrated.« less

Modeling and characterization of as-welded microstructure of solid solution strengthened Ni-Cr-Fe alloys resistant to ductility-dip cracking Part II: Microstructure characterization

NASA Astrophysics Data System (ADS)

Unfried-Silgado, Jimy; Ramirez, Antonio J.

2014-03-01

In part II of this work is evaluated the as-welded microstructure of Ni-Cr-Fe alloys, which were selected and modeled in part I. Detailed characterization of primary and secondary precipitates, subgrain and grain structures, partitioning, and grain boundary morphology were developed. Microstructural characterization was carried out using optical microscopy, SEM, TEM, EBSD, and XEDS techniques. These results were analyzed and compared to modeling results displaying a good agreement. The Hf additions produced the highest waviness of grain boundaries, which were related to distribution of Hf-rich carbonitrides. Experimental evidences about Mo distribution into crystal lattice have provided information about its possible role in ductility-dip cracking (DDC). Characterization results of studied alloys were analyzed and linked to their DDC resistance data aiming to establish relationships between as-welded microstructure and hot deformation performance. Wavy grain boundaries, primary carbides distribution, and strengthened crystal lattice are metallurgical characteristics related to high DDC resistance.

A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure.

PubMed

Kojic, M; Milosevic, M; Kojic, N; Kim, K; Ferrari, M; Ziemys, A

2014-02-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts.

A multiscale MD–FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure

PubMed Central

Kojic, M.; Milosevic, M.; Kojic, N.; Kim, K.; Ferrari, M.; Ziemys, A.

2014-01-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts. PMID:24578582

Energy Storage Publications | Transportation Research | NREL

Science.gov Websites

. 367, 1 November 2017 pp. 214-215. Quantitative Microstructure Characterization of a NMC Electrode . NREL/PR-5400-68759. Quantitative Microstructure Characterization of a NMC Electrode Presentation Source . NREL/PR-5400-68339. Microstructure Characterization and Modeling for Improved Electrode Design

Nano-Scale Characterization of Al-Mg Nanocrystalline Alloys

NASA Astrophysics Data System (ADS)

Harvey, Evan; Ladani, Leila

Materials with nano-scale microstructure have become increasingly popular due to their benefit of substantially increased strengths. The increase in strength as a result of decreasing grain size is defined by the Hall-Petch equation. With increased interest in miniaturization of components, methods of mechanical characterization of small volumes of material are necessary because traditional means such as tensile testing becomes increasingly difficult with such small test specimens. This study seeks to characterize elastic-plastic properties of nanocrystalline Al-5083 through nanoindentation and related data analysis techniques. By using nanoindentation, accurate predictions of the elastic modulus and hardness of the alloy were attained. Also, the employed data analysis model provided reasonable estimates of the plastic properties (strain-hardening exponent and yield stress) lending credibility to this procedure as an accurate, full mechanical characterization method.

3D Microstructures for Materials and Damage Models

DOE PAGES

Livescu, Veronica; Bronkhorst, Curt Allan; Vander Wiel, Scott Alan

2017-02-01

Many challenges exist with regard to understanding and representing complex physical processes involved with ductile damage and failure in polycrystalline metallic materials. Currently, the ability to accurately predict the macroscale ductile damage and failure response of metallic materials is lacking. Research at Los Alamos National Laboratory (LANL) is aimed at building a coupled experimental and computational methodology that supports the development of predictive damage capabilities by: capturing real distributions of microstructural features from real material and implementing them as digitally generated microstructures in damage model development; and, distilling structure-property information to link microstructural details to damage evolution under a multitudemore » of loading states.« less

Molecular modeling of the microstructure evolution during carbon fiber processing

NASA Astrophysics Data System (ADS)

Desai, Saaketh; Li, Chunyu; Shen, Tongtong; Strachan, Alejandro

2017-12-01

The rational design of carbon fibers with desired properties requires quantitative relationships between the processing conditions, microstructure, and resulting properties. We developed a molecular model that combines kinetic Monte Carlo and molecular dynamics techniques to predict the microstructure evolution during the processes of carbonization and graphitization of polyacrylonitrile (PAN)-based carbon fibers. The model accurately predicts the cross-sectional microstructure of the fibers with the molecular structure of the stabilized PAN fibers and physics-based chemical reaction rates as the only inputs. The resulting structures exhibit key features observed in electron microcopy studies such as curved graphitic sheets and hairpin structures. In addition, computed X-ray diffraction patterns are in good agreement with experiments. We predict the transverse moduli of the resulting fibers between 1 GPa and 5 GPa, in good agreement with experimental results for high modulus fibers and slightly lower than those of high-strength fibers. The transverse modulus is governed by sliding between graphitic sheets, and the relatively low value for the predicted microstructures can be attributed to their perfect longitudinal texture. Finally, the simulations provide insight into the relationships between chemical kinetics and the final microstructure; we observe that high reaction rates result in porous structures with lower moduli.

Predicting Microstructure and Microsegregation in Multicomponent Aluminum Alloys

NASA Astrophysics Data System (ADS)

Yan, Xinyan; Ding, Ling; Chen, ShuangLin; Xie, Fanyou; Chu, M.; Chang, Y. Austin

Accurate predictions of microstructure and microsegregation in metallic alloys are highly important for applications such as alloy design and process optimization. Restricted assumptions concerning the phase diagram could easily lead to erroneous predictions. The best approach is to couple microsegregation modeling with phase diagram computations. A newly developed numerical model for the prediction of microstructure and microsegregation in multicomponent alloys during dendritic solidification was introduced. The micromodel is directly coupled with phase diagram calculations using a user-friendly and robust phase diagram calculation engine-PANDAT. Solid state back diffusion, undercooling and coarsening effects are included in this model, and the experimentally measured cooling curves are used as the inputs to carry out the calculations. This model has been used to predict the microstructure and microsegregation in two multicomponent aluminum alloys, 2219 and 7050. The calculated values were confirmed using results obtained from directional solidification.

Effect of treatment temperature on the microstructure of asphalt binders: insights on the development of dispersed domains.

PubMed

Menapace, I; Masad, E; Bhasin, A

2016-04-01

This paper offers important insights on the development of the microstructure in asphalt binders as a function of the treatment temperature. Different treatment temperatures are useful to understand how dispersed domains form when different driving energies for the mobility of molecular species are provided. Small and flat dispersed domains, with average diameter between 0.02 and 0.70 μm, were detected on the surface of two binders at room temperature, and these domains were observed to grow with an increase in treatment temperature (up to over 2 μm). Bee-like structures started to appear after treatment at or above 100°C. Moreover, the effect of the binder thickness on its microstructure at room temperature and at higher treatment temperatures was investigated and is discussed in this paper. At room temperature, the average size of the dispersed domains increased as the binder thickness decreased. A hypothesis that conciliates current theories on the origin and development of dispersed domains is proposed. Small dispersed domains (average diameter around 0.02 μm) are present in the bulk of the binder, whereas larger domains and bee-like structures develop on the surface, following heat treatment or mechanical disturbance that reduces the film thickness. Molecular mobility and association are the key factors in the development of binder microstructure. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

Effect of mastication on lipid bioaccessibility of almonds in a randomized human study and its implications for digestion kinetics, metabolizable energy, and postprandial lipemia1234

PubMed Central

Grundy, Myriam ML; Grassby, Terri; Mandalari, Giuseppina; Waldron, Keith W; Butterworth, Peter J; Berry, Sarah EE

2015-01-01

Background: The particle size and structure of masticated almonds have a significant impact on nutrient release (bioaccessibility) and digestion kinetics. Objectives: The goals of this study were to quantify the effects of mastication on the bioaccessibility of intracellular lipid of almond tissue and examine microstructural characteristics of masticated almonds. Design: In a randomized, subject-blind, crossover trial, 17 healthy subjects chewed natural almonds (NAs) or roasted almonds (RAs) in 4 separate mastication sessions. Particle size distributions (PSDs) of the expectorated boluses were measured by using mechanical sieving and laser diffraction (primary outcome). The microstructure of masticated almonds, including the structural integrity of the cell walls (i.e., dietary fiber), was examined with microscopy. Lipid bioaccessibility was predicted by using a theoretical model, based on almond particle size and cell dimensions, and then compared with empirically derived release data. Results: Intersubject variations (n = 15; 2 subjects withdrew) in PSDs of both NA and RA samples were small (e.g., laser diffraction; CV: 12% and 9%, respectively). Significant differences in PSDs were found between these 2 almond forms (P < 0.05). A small proportion of lipid was released from ruptured cells on fractured surfaces of masticated particles, as predicted by using the mathematical model (8.5% and 11.3% for NAs and RAs, respectively). This low percentage of lipid bioaccessibility is attributable to the high proportion (35–40%) of large particles (>500 μm) in masticated almonds. Microstructural examination of the almonds indicated that most intracellular lipid remained undisturbed in intact cells after mastication. No adverse events were recorded. Conclusions: Following mastication, most of the almond cells remained intact with lipid encapsulated by cell walls. Thus, most of the lipid in masticated almonds is not immediately bioaccessible and remains unavailable for early stages of digestion. The lipid encapsulation mechanism provides a convincing explanation for why almonds have a low metabolizable energy content and an attenuated impact on postprandial lipemia. This trial was registered at isrctn.org as ISRCTN58438021. PMID:25527747

Evolution of microstructural disorder in annealed bismuth telluride nanowires

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

Erickson, Kristopher J.; Limmer, Steven J.; Yelton, W. Graham

Controlling the distribution of structural defects in nanostructures is important since such defects can strongly affect critical properties, including thermal and electronic transport. However, characterizing the defect arrangements in individual nanostructures is difficult because of the small length scales involved. Here, we investigate the evolution of microstructural disorder with annealing in electrochemically deposited Bi2Te3 nanowires, which are of interest for thermoelectrics. We combine Convergent Beam Electron Diffraction (CBED) and Scanning Transmission Electron Microscopy (STEM) to provide the necessary spatial and orientational resolution. We find that despite their large initial grain sizes and strong Formula crystallographic texturing, the as-deposited nanowires stillmore » exhibit significant intragranular orientational disorder. Annealing drives both grain growth and a significant reduction in the intragranular disorder. The results are discussed in the context of the existing understanding of the initial microstructure of electrodeposited materials and the understanding of annealing microstructures in both electrochemically deposited and bulk-deformed materials. Finally, this analysis highlights the importance of assessing both the grain size and intragranular disorder in understanding the microstructural evolution of individual nanostructures.« less

Evolution of microstructural disorder in annealed bismuth telluride nanowires

DOE PAGES

Erickson, Kristopher J.; Limmer, Steven J.; Yelton, W. Graham; ...

2017-03-01

Controlling the distribution of structural defects in nanostructures is important since such defects can strongly affect critical properties, including thermal and electronic transport. However, characterizing the defect arrangements in individual nanostructures is difficult because of the small length scales involved. Here, we investigate the evolution of microstructural disorder with annealing in electrochemically deposited Bi2Te3 nanowires, which are of interest for thermoelectrics. We combine Convergent Beam Electron Diffraction (CBED) and Scanning Transmission Electron Microscopy (STEM) to provide the necessary spatial and orientational resolution. We find that despite their large initial grain sizes and strong Formula crystallographic texturing, the as-deposited nanowires stillmore » exhibit significant intragranular orientational disorder. Annealing drives both grain growth and a significant reduction in the intragranular disorder. The results are discussed in the context of the existing understanding of the initial microstructure of electrodeposited materials and the understanding of annealing microstructures in both electrochemically deposited and bulk-deformed materials. Finally, this analysis highlights the importance of assessing both the grain size and intragranular disorder in understanding the microstructural evolution of individual nanostructures.« less

Evolution and Control of 2219 Aluminum Microstructural Features Through Electron Beam Freeform Fabrication

NASA Technical Reports Server (NTRS)

Taminger, Karen M.; Hafley, Robert A.; Domack, Marcia S.

2006-01-01

The layer-additive nature of the electron beam freeform fabrication (EBF3) process results in a tortuous thermal path producing complex microstructures including: small homogeneous equiaxed grains; dendritic growth contained within larger grains; and/or pervasive dendritic formation in the interpass regions of the deposits. Several process control variables contribute to the formation of these different microstructures, including translation speed, wire feed rate, beam current and accelerating voltage. In electron beam processing, higher accelerating voltages embed the energy deeper below the surface of the substrate. Two EBF3 systems have been established at NASA Langley, one with a low-voltage (10-30kV) and the other a high-voltage (30-60 kV) electron beam gun. Aluminum alloy 2219 was processed over a range of different variables to explore the design space and correlate the resultant microstructures with the processing parameters. This report is specifically exploring the impact of accelerating voltage. Of particular interest is correlating energy to the resultant material characteristics to determine the potential of achieving microstructural control through precise management of the heat flux and cooling rates during deposition.

Coupled changes in brain white matter microstructure and fluid intelligence in later life.

PubMed

Ritchie, Stuart J; Bastin, Mark E; Tucker-Drob, Elliot M; Maniega, Susana Muñoz; Engelhardt, Laura E; Cox, Simon R; Royle, Natalie A; Gow, Alan J; Corley, Janie; Pattie, Alison; Taylor, Adele M; Valdés Hernández, Maria Del C; Starr, John M; Wardlaw, Joanna M; Deary, Ian J

2015-06-03

Understanding aging-related cognitive decline is of growing importance in aging societies, but relatively little is known about its neural substrates. Measures of white matter microstructure are known to correlate cross-sectionally with cognitive ability measures, but only a few small studies have tested for longitudinal relations among these variables. We tested whether there were coupled changes in brain white matter microstructure indexed by fractional anisotropy (FA) and three broad cognitive domains (fluid intelligence, processing speed, and memory) in a large cohort of human participants with longitudinal diffusion tensor MRI and detailed cognitive data taken at ages 73 years (n = 731) and 76 years (n = 488). Longitudinal changes in white matter microstructure were coupled with changes in fluid intelligence, but not with processing speed or memory. Individuals with higher baseline white matter FA showed less subsequent decline in processing speed. Our results provide evidence for a longitudinal link between changes in white matter microstructure and aging-related cognitive decline during the eighth decade of life. They are consistent with theoretical perspectives positing that a corticocortical "disconnection" partly explains cognitive aging. Copyright © 2015 Ritchie et al.

Microstructural Evolution of AerMet100 Steel Coating on 300M Steel Fabricated by Laser Cladding Technique

NASA Astrophysics Data System (ADS)

Liu, Jian; Li, Jia; Cheng, Xu; Wang, Huaming

2018-02-01

In this paper, the process of coating AerMet100 steel on forged 300M steel with laser cladding was investigated, with a thorough analysis of the chemical composition, microstructure, and hardness of the substrate and the cladding layer as well as the transition zone. Results show that the composition and microhardness of the cladding layer are macroscopically homogenous with the uniformly distributed bainite and a small amount of retained austenite in martensite matrix. The transition zone, which spans approximately 100 μm, yields a gradual change of composition from the cladding layer to 300M steel matrix. The heat-affected zone (HAZ) can be divided into three zones: the sufficiently quenched zone (SQZ), the insufficiently quenched zone (IQZ), and the high tempered zone (HTZ). The SQZ consists of martensitic matrix and bainite, as for the IQZ and the HTZ the microstructures are martensite + tempered martensite and tempered martensite + ferrite, respectively. These complicated microstructures in the HAZ are caused by different peak heating temperatures and heterogeneous microstructures of the as-received 300M steel.

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.

A Microstructurally Inspired Damage Model for Early Venous Thrombus

PubMed Central

Rausch, Manuel K.; Humphrey, Jay D.

2015-01-01

Accumulative damage may be an important contributor to many cases of thrombotic disease progression. Thus, a complete understanding of the pathological role of thrombus requires an understanding of its mechanics and in particular mechanical consequences of damage. In the current study, we introduce a novel microstructurally inspired constitutive model for thrombus that considers a non-uniform distribution of microstructural fibers at various crimp levels and employs one of the distribution parameters to incorporate stretch-driven damage on the microscopic level. To demonstrate its ability to represent the mechanical behavior of thrombus, including a recently reported Mullins type damage phenomenon, we fit our model to uniaxial tensile test data of early venous thrombus. Our model shows an agreement with these data comparable to previous models for damage in elastomers with the added advantages of a microstructural basis and fewer model parameters. We submit that our novel approach marks another important step toward modeling the evolving mechanics of intraluminal thrombus, specifically its damage, and hope it will aid in the study of physiological and pathological thrombotic events. PMID:26523784

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.

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

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

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.

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.

The dimensionality of between-person differences in white matter microstructure in old age.

PubMed

Lövdén, Martin; Laukka, Erika Jonsson; Rieckmann, Anna; Kalpouzos, Grégoria; Li, Tie-Qiang; Jonsson, Tomas; Wahlund, Lars-Olof; Fratiglioni, Laura; Bäckman, Lars

2013-06-01

Between-person differences in white matter microstructure may partly generalize across the brain and partly play out differently for distinct tracts. We used diffusion-tensor imaging and structural equation modeling to investigate this issue in a sample of 260 adults aged 60-87 years. Mean fractional anisotropy and mean diffusivity of seven white matter tracts in each hemisphere were quantified. Results showed good fit of a model positing that individual differences in white matter microstructure are structured according to tracts. A general factor, although accounting for variance in the measures, did not adequately represent the individual differences. This indicates the presence of a substantial amount of tract-specific individual differences in white matter microstructure. In addition, individual differences are to a varying degree shared between tracts, indicating that general factors also affect white matter microstructure. Age-related differences in white matter microstructure were present for all tracts. Correlations among tract factors did not generally increase as a function of age, suggesting that aging is not a process with homogenous effects on white matter microstructure across the brain. These findings highlight the need for future research to examine whether relations between white matter microstructure and diverse outcomes are specific or general. Copyright © 2011 Wiley Periodicals, Inc.

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.

Modeling the effects of small turbulent scales on the drag force for particles below and above the Kolmogorov scale

NASA Astrophysics Data System (ADS)

Gorokhovski, Mikhael; Zamansky, Rémi

2018-03-01

Consistently with observations from recent experiments and DNS, we focus on the effects of strong velocity increments at small spatial scales for the simulation of the drag force on particles in high Reynolds number flows. In this paper, we decompose the instantaneous particle acceleration in its systematic and residual parts. The first part is given by the steady-drag force obtained from the large-scale energy-containing motions, explicitly resolved by the simulation, while the second denotes the random contribution due to small unresolved turbulent scales. This is in contrast with standard drag models in which the turbulent microstructures advected by the large-scale eddies are deemed to be filtered by the particle inertia. In our paper, the residual term is introduced as the particle acceleration conditionally averaged on the instantaneous dissipation rate along the particle path. The latter is modeled from a log-normal stochastic process with locally defined parameters obtained from the resolved field. The residual term is supplemented by an orientation model which is given by a random walk on the unit sphere. We propose specific models for particles with diameter smaller and larger size than the Kolmogorov scale. In the case of the small particles, the model is assessed by comparison with direct numerical simulation (DNS). Results showed that by introducing this modeling, the particle acceleration statistics from DNS is predicted fairly well, in contrast with the standard LES approach. For the particles bigger than the Kolmogorov scale, we propose a fluctuating particle response time, based on an eddy viscosity estimated at the particle scale. This model gives stretched tails of the particle acceleration distribution and dependence of its variance consistent with experiments.

Microstructural characterization of dental zinc phosphate cements using combined small angle neutron scattering and microfocus X-ray computed tomography.

PubMed

Viani, Alberto; Sotiriadis, Konstantinos; Kumpová, Ivana; Mancini, Lucia; Appavou, Marie-Sousai

2017-04-01

To characterize the microstructure of two zinc phosphate cement formulations in order to investigate the role of liquid/solid ratio and composition of powder component, on the developed porosity and, consequently, on compressive strength. X-ray powder diffraction with the Rietveld method was used to study the phase composition of zinc oxide powder and cements. Powder component and cement microstructure were investigated with scanning electron microscopy. Small angle neutron scattering (SANS) and microfocus X-ray computed tomography (XmCT) were together employed to characterize porosity and microstructure of dental cements. Compressive strength tests were performed to evaluate their mechanical performance. The beneficial effects obtained by the addition of Al, Mg and B to modulate powder reactivity were mitigated by the crystallization of a Zn aluminate phase not involved in the cement setting reaction. Both cements showed spherical pores with a bimodal distribution at the micro/nano-scale. Pores, containing a low density gel-like phase, developed through segregation of liquid during setting. Increasing liquid/solid ratio from 0.378 to 0.571, increased both SANS and XmCT-derived specific surface area (by 56% and 22%, respectively), porosity (XmCT-derived porosity increased from 3.8% to 5.2%), the relative fraction of large pores ≥50μm, decreased compressive strength from 50±3MPa to 39±3MPa, and favored microstructural and compositional inhomogeneities. Explain aspects of powder design affecting the setting reaction and, in turn, cement performance, to help in optimizing cement formulation. The mechanism behind development of porosity and specific surface area explains mechanical performance, and processes such as erosion and fluoride release/uptake. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Multiscale optical imaging of rare-earth-doped nanocomposites in a small animal model

NASA Astrophysics Data System (ADS)

Higgins, Laura M.; Ganapathy, Vidya; Kantamneni, Harini; Zhao, Xinyu; Sheng, Yang; Tan, Mei-Chee; Roth, Charles M.; Riman, Richard E.; Moghe, Prabhas V.; Pierce, Mark C.

2018-03-01

Rare-earth-doped nanocomposites have appealing optical properties for use as biomedical contrast agents, but few systems exist for imaging these materials. We describe the design and characterization of (i) a preclinical system for whole animal in vivo imaging and (ii) an integrated optical coherence tomography/confocal microscopy system for high-resolution imaging of ex vivo tissues. We demonstrate these systems by administering erbium-doped nanocomposites to a murine model of metastatic breast cancer. Short-wave infrared emissions were detected in vivo and in whole organ imaging ex vivo. Visible upconversion emissions and tissue autofluorescence were imaged in biopsy specimens, alongside optical coherence tomography imaging of tissue microstructure. We anticipate that this work will provide guidance for researchers seeking to image these nanomaterials across a wide range of biological models.

A computational continuum model of poroelastic beds

PubMed Central

Zampogna, G. A.

2017-01-01

Despite the ubiquity of fluid flows interacting with porous and elastic materials, we lack a validated non-empirical macroscale method for characterizing the flow over and through a poroelastic medium. We propose a computational tool to describe such configurations by deriving and validating a continuum model for the poroelastic bed and its interface with the above free fluid. We show that, using stress continuity condition and slip velocity condition at the interface, the effective model captures the effects of small changes in the microstructure anisotropy correctly and predicts the overall behaviour in a physically consistent and controllable manner. Moreover, we show that the performance of the effective model is accurate by validating with fully microscopic resolved simulations. The proposed computational tool can be used in investigations in a wide range of fields, including mechanical engineering, bio-engineering and geophysics. PMID:28413355

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

Modeling transmission parameters of polymer microstructured fibers for applications in FTTH networks

NASA Astrophysics Data System (ADS)

Gdula, P.; Welikow, K.; Szczepański, P.; Buczyński, R.; Piramidowicz, R.

2011-10-01

This paper is focused on selected aspects of designing and modeling of transmission parameters of plastic optical fibers (POFs), considered in the context of their potential applications in optical access networks and, specifically, in Fiber-To- The-Home (FTTH) systems. The survey of state-of-the-art solutions is presented and possibility of improving transmission properties of POFs by microstructurization is discussed on the basis of the first results of numerical modeling. In particular, the microstructured POF was designed supporting propagation of limited number of modes while keeping relatively large mode area and, simultaneously, significantly lowered bending losses.

Nonlinear hierarchical multiscale modeling of cortical bone considering its nanoscale microstructure.

PubMed

Ghanbari, J; Naghdabadi, R

2009-07-22

We have used a hierarchical multiscale modeling scheme for the analysis of cortical bone considering it as a nanocomposite. This scheme consists of definition of two boundary value problems, one for macroscale, and another for microscale. The coupling between these scales is done by using the homogenization technique. At every material point in which the constitutive model is needed, a microscale boundary value problem is defined using a macroscopic kinematical quantity and solved. Using the described scheme, we have studied elastic properties of cortical bone considering its nanoscale microstructural constituents with various mineral volume fractions. Since the microstructure of bone consists of mineral platelet with nanometer size embedded in a protein matrix, it is similar to the microstructure of soft matrix nanocomposites reinforced with hard nanostructures. Considering a representative volume element (RVE) of the microstructure of bone as the microscale problem in our hierarchical multiscale modeling scheme, the global behavior of bone is obtained under various macroscopic loading conditions. This scheme may be suitable for modeling arbitrary bone geometries subjected to a variety of loading conditions. Using the presented method, mechanical properties of cortical bone including elastic moduli and Poisson's ratios in two major directions and shear modulus is obtained for different mineral volume fractions.

The effects of behavioral and structural assumptions in artificial stock market

NASA Astrophysics Data System (ADS)

Liu, Xinghua; Gregor, Shirley; Yang, Jianmei

2008-04-01

Recent literature has developed the conjecture that important statistical features of stock price series, such as the fat tails phenomenon, may depend mainly on the market microstructure. This conjecture motivated us to investigate the roles of both the market microstructure and agent behavior with respect to high-frequency returns and daily returns. We developed two simple models to investigate this issue. The first one is a stochastic model with a clearing house microstructure and a population of zero-intelligence agents. The second one has more behavioral assumptions based on Minority Game and also has a clearing house microstructure. With the first model we found that a characteristic of the clearing house microstructure, namely the clearing frequency, can explain fat tail, excess volatility and autocorrelation phenomena of high-frequency returns. However, this feature does not cause the same phenomena in daily returns. So the Stylized Facts of daily returns depend mainly on the agents’ behavior. With the second model we investigated the effects of behavioral assumptions on daily returns. Our study implicates that the aspects which are responsible for generating the stylized facts of high-frequency returns and daily returns are different.

The influence of surface friction on the AA2024 microstructure

NASA Astrophysics Data System (ADS)

Eliseev, A. A.; Kolubaev, E. A.; Fortuna, S. V.

2017-12-01

This work is devoted to the study of the effect of sliding at velocities close to those achieved during friction stir welding or friction drilling on the microstructural evolution of 2024 aluminum alloy. The distribution of both solid solution grains and intermetallic precipitates is analyzed. No layers of recrystallized grains depleted by precipitates, which is a common finding in FSW or friction drilling, are found below the worn surface independently of the sliding velocity. A small precipitate content and size changes alone are observed.

Correlations Between Micromagnetic, Microstructural and Microchemical Properties in Ultrathin Epitaxial Magnetic Structures. Magnetic Microstructure Observed With Electron Holography in STEM

DTIC Science & Technology

1998-06-10

and Small Particles, Marian Mankos, J.M. Cowley, M.R. Scheinfein, Material Reseach Society Bulletin, October 95’, 45, (1995). 77 Quantitative...Micromagnetics: Electron Holography of Magnetic Thin Films and Multilayers, Marian Mankos, M.R. Scheinfein, J.M. Cowley, IEEE Trans. MAG-32(5), 4150 (1996...Spatial Resolution, Marian . Mankos, Z.J. Yang, M.R. Scheinfein, J.M. Cowley, IEEE-Trans. MAG 30(6), 4497 (1994). 67 Far Out-of-Focus Electron Holography

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.

TEM characterization of the fine scale microstructure of a Roman ferrous nail

NASA Astrophysics Data System (ADS)

Douin, J.; Henry, O.; Dabosi, F.; Sciau, P.

2010-07-01

This paper describes the microstructure of a Roman ferrous nail through its observation by transmission electron microscopy. The morphologies of pearlitic colonies and ferritic grains are detailed and the relationship between pearlitic colonies and ferrite in Roman nails is explicitly demonstrated for the first time. Observations also confirm the presence of dislocations in ferritic grains and attest to the existence of very small carbide precipitates that have not been pointed out previously in standard archaeometric studies.

Enzyme activity assays within microstructured optical fibers enabled by automated alignment.

PubMed

Warren-Smith, Stephen C; Nie, Guiying; Schartner, Erik P; Salamonsen, Lois A; Monro, Tanya M

2012-12-01

A fluorescence-based enzyme activity assay has been demonstrated within a small-core microstructured optical fiber (MOF) for the first time. To achieve this, a reflection-based automated alignment system has been developed, which uses feedback and piezoelectric actuators to maintain optical alignment. The auto-alignment system provides optical stability for the time required to perform an activity assay. The chosen assay is based on the enzyme proprotein convertase 5/6 (PC6) and has important applications in women's health.

Soft-tissue vessels and cellular preservation in Tyrannosaurus rex.

PubMed

Schweitzer, Mary H; Wittmeyer, Jennifer L; Horner, John R; Toporski, Jan K

2005-03-25

Soft tissues are preserved within hindlimb elements of Tyrannosaurus rex (Museum of the Rockies specimen 1125). Removal of the mineral phase reveals transparent, flexible, hollow blood vessels containing small round microstructures that can be expressed from the vessels into solution. Some regions of the demineralized bone matrix are highly fibrous, and the matrix possesses elasticity and resilience. Three populations of microstructures have cell-like morphology. Thus, some dinosaurian soft tissues may retain some of their original flexibility, elasticity, and resilience.

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.

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.

An analysis of FtsZ assembly using small angle X-ray scattering and electron microscopy.

PubMed

Kuchibhatla, Anuradha; Abdul Rasheed, A S; Narayanan, Janaky; Bellare, Jayesh; Panda, Dulal

2009-04-09

Small angle X-ray scattering (SAXS) was used for the first time to study the self-assembly of the bacterial cell division protein, FtsZ, with three different additives: calcium chloride, monosodium glutamate and DEAE-dextran hydrochloride in solution. The SAXS data were analyzed assuming a model form factor and also by a model-independent analysis using the pair distance distribution function. Transmission electron microscopy (TEM) was used for direct observation of the FtsZ filaments. By sectioning and negative staining with glow discharged grids, very high bundling as well as low bundling polymers were observed under different assembly conditions. FtsZ polymers formed different structures in the presence of different additives and these additives were found to increase the bundling of FtsZ protofilaments by different mechanisms. The combined use of SAXS and TEM provided us a significant insight of the assembly of FtsZ and microstructures of the assembled FtsZ polymers.

Three dimensional microstructural network of elastin, collagen, and cells in Achilles tendons.

PubMed

Pang, Xin; Wu, Jian-Ping; Allison, Garry T; Xu, Jiake; Rubenson, Jonas; Zheng, Ming-Hao; Lloyd, David G; Gardiner, Bruce; Wang, Allan; Kirk, Thomas Brett

2017-06-01

Similar to most biological tissues, the biomechanical, and functional characteristics of the Achilles tendon are closely related to its composition and microstructure. It is commonly reported that type I collagen is the predominant component of tendons and is mainly responsible for the tissue's function. Although elastin has been found in varying proportions in other connective tissues, previous studies report that tendons contain very small quantities of elastin. However, the morphology and the microstructural relationship among the elastic fibres, collagen, and cells in tendon tissue have not been well examined. We hypothesize the elastic fibres, as another fibrillar component in the extracellular matrix, have a unique role in mechanical function and microstructural arrangement in Achilles tendons. It has been shown that elastic fibres present a close connection with the tenocytes. The close relationship of the three components has been revealed as a distinct, integrated and complex microstructural network. Notably, a "spiral" structure within fibril bundles in Achilles tendons was observed in some samples in specialized regions. This study substantiates the hierarchical system of the spatial microstructure of tendon, including the mapping of collagen, elastin and tenocytes, with 3-dimensional confocal images. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:1203-1214, 2017. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Structure-Property Relationships of Architectural Coatings by Neutron Methods

NASA Astrophysics Data System (ADS)

Nakatani, Alan

2015-03-01

Architectural coatings formulations are multi-component mixtures containing latex polymer binder, pigment, rheology modifiers, surfactants, and colorants. In order to achieve the desired flow properties for these formulations, measures of the underlying structure of the components as a function of shear rate and the impact of formulation variables on the structure is necessary. We have conducted detailed measurements to understand the evolution under shear of local microstructure and larger scale mesostructure in model architectural coatings formulations by small angle neutron scattering (SANS) and ultra small angle neutron scattering (USANS), respectively. The SANS results show an adsorbed layer of rheology modifier molecules exist on the surface of the latex particles. However, the additional hydrodynamic volume occupied by the adsorbed surface layer is insufficient to account for the observed viscosity by standard hard sphere suspension models (Krieger-Dougherty). The USANS results show the presence of latex aggregates, which are fractal in nature. These fractal aggregates are the primary structures responsible for coatings formulation viscosity. Based on these results, a new model for the viscosity of coatings formulations has been developed, which is capable of reproducing the observed viscosity behavior.

Microstructure based hygromechanical modelling of deformation of fruit tissue

NASA Astrophysics Data System (ADS)

Abera, M. K.; Wang, Z.; Verboven, P.; Nicolai, B.

2017-10-01

Quality parameters such as firmness and susceptibility to mechanical damage are affected by the mechanical properties of fruit tissue. Fruit tissue is composed of turgid cells that keep cell walls under tension, and intercellular gas spaces where cell walls of neighboring cells have separated. How the structure and properties of these complex microstructures are affecting tissue mechanics is difficult to unravel experimentally. In this contribution, a modelling methodology is presented to calculate the deformation of apple fruit tissue affected by differences in structure and properties of cells and cell walls. The model can be used to perform compression experiments in silico using a hygromechanical model that computes the stress development and water loss during tissue deformation, much like in an actual compression test. The advantage of the model is that properties and structure can be changed to test the influence on the mechanical deformation process. The effect of microstructure, turgor pressure, cell membrane permeability, wall thickness and damping) on the compressibility of the tissue was simulated. Increasing the turgor pressure and thickness of the cell walls results in increased compression resistance of apple tissue increases, as do decreasing cell size and porosity. Geometric variability of the microstructure of tissues plays a major role, affecting results more than other model parameters. Different fruit cultivars were compared, and it was demonstrated, that microstructure variations within a cultivar are so large that interpretation of cultivar-specific effects is difficult.

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.

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.

Mechanical properties of micro-injected HDPE composites

NASA Astrophysics Data System (ADS)

Bongiorno, A.; Pagano, C.; Agnelli, S.; Baldi, F.; Fassi, I.

2016-03-01

Micro-injection moulding is one of the key manufacturing technologies for the mass production of high value polymeric miniaturized-components. However, this process is not just a straightforward down scaling of the conventional injection moulding technique. Indeed, during the micro-injection the polymer melt is forced to flow at high strain rates through very small channels in non-isothermal conditions, and this can lead to complex microstructures and to parts with unexpected performances. In this work, the relationships among the processing conditions, the mechanical properties and the microstructural characteristics of miniaturized specimens obtained by injection moulding were investigated. Two model systems were considered with the same filler content of 15% wt. (HDPE-talc and HDPE-glass beads), representative of two different types of micro-composites: containing lamellar and spherical micro-particles, respectively. The attention was focused on the influence of the filler type and the process conditions on the mechanical behaviour, examined by uniaxial tensile tests and dynamic-mechanical analyses, and on the morphological characteristics of the specimens, examined by microscopy analyses. The results highlight that mechanical response of the miniaturized specimens is significantly affected by both the filler and the process conditions that can have an influence on the polymer microstructure. Lamellar composites showed the best performance due to the orientation of the talc particles during the micro-injection process, while, different morphologies of the skin/core transition region in dependence on the process temperatures were observable.

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.

Structural characterization of casein micelles: shape changes during film formation.

PubMed

Gebhardt, R; Vendrely, C; Kulozik, U

2011-11-09

The objective of this study was to determine the effect of size-fractionation by centrifugation on the film structure of casein micelles. Fractionated casein micelles in solution were asymmetrically distributed with a small distribution width as measured by dynamic light scattering. Films prepared from the size-fractionated samples showed a smooth surface in optical microscopy images and a homogeneous microstructure in atomic force micrographs. The nano- and microstructure of casein films was probed by micro-beam grazing incidence small angle x-ray scattering (μGISAXS). Compared to the solution measurements, the sizes determined in the film were larger and broadly distributed. The measured GISAXS patterns clearly deviate from those simulated for a sphere and suggest a deformation of the casein micelles in the film. © 2011 IOP Publishing Ltd

Boundary Effects and Shear Thickening of Colloidal Suspensions: A study based on measurement of Suspension Microstructure

NASA Astrophysics Data System (ADS)

Perera, M. Tharanga D.

Microstructure is key to understanding rheological behaviors of flowing particulate suspensions. During the past decade, Stokesian Dynamics simulations have been the dominant method of determining suspension microstructure. Structure results obtained numerically reveal that an anisotropic structure is formed under high Peclet (Pe) number conditions. Researchers have used various experimental techniques such as small angle neutron scattering (SANS) and light scattering methods to validate microstructure. This work outlines an experimental technique based on confocal microscopy to study microstructure of a colloidal suspension in an index-matched fluid flowing in a microchannel. High resolution scans determining individual particle locations in suspensions 30-50 vol % yield quantitative results of the local microstructure in the form of the pair distribution function, g(r). From these experimentally determined g(r), the effect of shear rate, quantified by the Peclet number as a ratio of shear and Brownian stress, on the suspension viscosity and normal stress follow that seen in macroscopic rheological measurements and simulations. It is generally believed that shear thickening behavior of colloidal suspensions is driven by the formation of hydroclusters. From measurements of particle locations, hydroclusters are identified. The number of hydroclusters grows exponentially with increasing Pe, and the onset of shear thickening is driven by the increase in formation of clusters having 5-8 particles. At higher Pe, we notice the emergence of 12 or more particle clusters. The internal structure of these hydroclusters has been investigated, and there is some evidence that particles internal to hydroclusters preferentially align along the 45° and 135° axis. Beyond observations of bulk suspension behavior, the influence of boundaries on suspension microstructure is also investigated. Experiments were performed for suspensions flowing over smooth walls, made of glass coverslips, and over rough walls having a high density coating of particles. These results show that there is more order in structure near smooth boundaries while near rough boundaries the structure is similar to that found in the bulk. The relative viscosity and normal stress differences also indicate that boundaries have an effect up as far as 6 particle diameters away from the boundary. Finally, we investigate the microstructure evolvement in a model porous medium and notice that such boundary effects come into play in such real process flows. The confocal microscopy technique also provides us with the advantage of measuring structure in real process flows. We have investigated how the microstructure evolves upstream and downstream in a porous medium. We notice more structure in a high volume fraction suspension and notice anisotropic behavior at regions where shear from the wall of the posts dominate. In other cases, a mixed flow behavior is observed due to collisions between pore surfaces and other particles resulting in a deviation from flow streamlines.

A study on the effects of temperature and substrate structure on the templated two-phase film growth via a hybrid model

NASA Astrophysics Data System (ADS)

Lu, Xiao; Li, Jia; Zhu, Jian-Gang; Laughlin, David E.; Zhu, Jingxi

2018-06-01

Templated growth of two-phase thin films can achieve desirably ordered microstructures. In such cases, the microstructure of the growing films follows the topography of the template. By combining the Potts model Monte Carlo simulation and the "level set" method, an attempt was previously made to understand the physical mechanism behind the templated growth process. In the current work, this model is further used to study the effect of two parameters within the templated growth scenario, namely, the temperature and the geometric features of the template. The microstructure of the thin film grown with different lattice temperatures and domes is analyzed. It is found that within a moderate temperature range, the effect of geometric features took control of the ordering of the microstructure by its influence on the surface energy gradient. Interestingly, within this temperature range, as the temperature is increased, an ordered microstructure forms on a template without the optimal geometric features, which seems to be a result of competition between the kinetics and the thermodynamics during deposition. However, when the temperature was either above or below this temperature range, the template provided no guide to the whole deposition so that no ordered microstructure formed.

A Rate-Theory-Phase-Field Model of Irradiation-Induced Recrystallization in UMo Nuclear Fuels

NASA Astrophysics Data System (ADS)

Hu, Shenyang; Joshi, Vineet; Lavender, Curt A.

2017-12-01

In this work, we developed a recrystallization model to study the effect of microstructures and radiation conditions on recrystallization kinetics in UMo fuels. The model integrates the rate theory of intragranular gas bubble and interstitial loop evolutions and a phase-field model of recrystallization zone evolution. A first passage method is employed to describe one-dimensional diffusion of interstitials with a diffusivity value several orders of magnitude larger than that of fission gas xenons. With the model, the effect of grain sizes on recrystallization kinetics is simulated. The results show that (1) recrystallization in large grains starts earlier than that in small grains, (2) the recrystallization kinetics (recrystallization volume fraction) decrease as the grain size increases, (3) the predicted recrystallization kinetics are consistent with the experimental results, and (4) the recrystallization kinetics can be described by the modified Avrami equation, but the parameters of the Avrami equation strongly depend on the grain size.

TA [B] Predicting Microstructure-Creep Resistance Correlation in High Temperature Alloys over Multiple Time Scales

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

Tomar, Vikas

2017-03-06

DoE-NETL partnered with Purdue University to predict the creep and associated microstructure evolution of tungsten-based refractory alloys. Researchers use grain boundary (GB) diagrams, a new concept, to establish time-dependent creep resistance and associated microstructure evolution of grain boundaries/intergranular films GB/IGF controlled creep as a function of load, environment, and temperature. The goal was to conduct a systematic study that includes the development of a theoretical framework, multiscale modeling, and experimental validation using W-based body-centered-cubic alloys, doped/alloyed with one or two of the following elements: nickel, palladium, cobalt, iron, and copper—typical refractory alloys. Prior work has already established and validated amore » basic theory for W-based binary and ternary alloys; the study conducted under this project extended this proven work. Based on interface diagrams phase field models were developed to predict long term microstructural evolution. In order to validate the models nanoindentation creep data was used to elucidate the role played by the interface properties in predicting long term creep strength and microstructure evolution.« 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

Modeling of the static recrystallization for 7055 aluminum alloy by cellular automaton

NASA Astrophysics Data System (ADS)

Zhang, Tao; Lu, Shi-hong; Zhang, Jia-bin; Li, Zheng-fang; Chen, Peng; Gong, Hai; Wu, Yun-xin

2017-09-01

In order to simulate the flow behavior and microstructure evolution during the pass interval period of the multi-pass deformation process, models of static recovery (SR) and static recrystallization (SRX) by the cellular automaton (CA) method for the 7055 aluminum alloy were established. Double-pass hot compression tests were conducted to acquire flow stress and microstructure variation during the pass interval period. With the basis of the material constants obtained from the compression tests, models of the SR, incubation period, nucleation rate and grain growth were fitted by least square method. A model of the grain topology and a statistical computation of the CA results were also introduced. The effects of the pass interval time, temperature, strain, strain rate and initial grain size on the microstructure variation for the SRX of the 7055 aluminum alloy were studied. The results show that a long pass interval time, large strain, high temperature and large strain rate are beneficial for finer grains during the pass interval period. The stable size of the static recrystallized grain is not concerned with the initial grain size, but mainly depends on the strain rate and temperature. The SRX plays a vital role in grain refinement, while the SR has no effect on the variation of microstructure morphology. Using flow stress and microstructure comparisons of the simulated and experimental CA results, the established CA models can accurately predict the flow stress and microstructure evolution during the pass interval period, and provide guidance for the selection of optimized parameters for the multi-pass deformation process.

Detecting and modelling structures on the micro and the macro scales: Assessing their effects on solute transport behaviour

NASA Astrophysics Data System (ADS)

Haslauer, C. P.; Bárdossy, A.; Sudicky, E. A.

2017-09-01

This paper demonstrates quantitative reasoning to separate the dataset of spatially distributed variables into different entities and subsequently characterize their geostatistical properties, properly. The main contribution of the paper is a statistical based algorithm that matches the manual distinction results. This algorithm is based on measured data and is generally applicable. In this paper, it is successfully applied at two datasets of saturated hydraulic conductivity (K) measured at the Borden (Canada) and the Lauswiesen (Germany) aquifers. The boundary layer was successfully delineated at Borden despite its only mild heterogeneity and only small statistical differences between the divided units. The methods are verified with the more heterogeneous Lauswiesen aquifer K data-set, where a boundary layer has previously been delineated. The effects of the macro- and the microstructure on solute transport behaviour are evaluated using numerical solute tracer experiments. Within the microscale structure, both Gaussian and non-Gaussian models of spatial dependence of K are evaluated. The effects of heterogeneity both on the macro- and the microscale are analysed using numerical tracer experiments based on four scenarios: including or not including the macroscale structures and optimally fitting a Gaussian or a non-Gaussian model for the spatial dependence in the micro-structure. The paper shows that both micro- and macro-scale structures are important, as in each of the four possible geostatistical scenarios solute transport behaviour differs meaningfully.

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

Influence of food intrinsic complexity on Listeria monocytogenes growth in/on vacuum-packed model systems at suboptimal temperatures.

PubMed

Baka, Maria; Noriega, Estefanía; Van Langendonck, Kristof; Van Impe, Jan F

2016-10-17

Food intrinsic factors e.g., food (micro)structure, compositional and physicochemical aspects, which are mutually dependent, influence microbial growth. While the effect of composition and physicochemical properties on microbial growth has been thoroughly assessed and characterised, the role of food (micro)structure still remains unravelled. Most studies on food (micro)structure focus on comparing planktonic growth in liquid (microbiological) media with colonial growth in/on solid-like systems or on real food surfaces. However, foods are not only liquids or solids; they can also be emulsions or gelled emulsions and have complex compositions. In this study, Listeria monocytogenes growth was studied on the whole spectrum of (micro)structure, in terms of food (model) systems. The model systems varied not only in (micro)structure, which was the target of the study, but also in compositional and physicochemical characteristics, which was an inevitable consequence of the (micro)structural variability. The compositional and physicochemical differences were mainly due to the presence or absence of fat and gelling agents. The targeted (micro)structures were: i) liquids, ii) aqueous gels, iii) emulsions and iv) gelled emulsions. Furthermore, the microbial dynamics were studied and compared in/on all these model systems, as well as on a compositionally predefined canned meat, developed in order to have equal compositional level to the gelled emulsion model system and represent a real food system. Frankfurter sausages were the targeted real foods, selected as a case study, to which the canned meat had similar compositional characteristics. All systems were vacuum packed and incubated at 4, 8 and 12°C. The most appropriate protocol for the preparation of the model systems was developed. The pH, water activity and resistance to penetration of the model systems were characterised. Results indicated that low temperature contributes to growth variations among the model systems. Additionally, the firmer the solid system, the faster L. monocytogenes grew on it. Finally, it was found that L. monocytogenes grows faster on canned meat and real Frankfurters, as found in a previous study, followed by liquids, aqueous gels, emulsions and gelled emulsions. This observation indicates that all model systems, developed in this study, underestimated L. monocytogenes growth. Despite some limitations, model systems are overall advantageous and therefore, their validation is always recommended prior to further use. Copyright © 2016. Published by Elsevier B.V.

Tissue microstructure estimation using a deep network inspired by a dictionary-based framework.

PubMed

Ye, Chuyang

2017-12-01

Diffusion magnetic resonance imaging (dMRI) captures the anisotropic pattern of water displacement in the neuronal tissue and allows noninvasive investigation of the complex tissue microstructure. A number of biophysical models have been proposed to relate the tissue organization with the observed diffusion signals, so that the tissue microstructure can be inferred. The Neurite Orientation Dispersion and Density Imaging (NODDI) model has been a popular choice and has been widely used for many neuroscientific studies. It models the diffusion signal with three compartments that are characterized by distinct diffusion properties, and the parameters in the model describe tissue microstructure. In NODDI, these parameters are estimated in a maximum likelihood framework, where the nonlinear model fitting is computationally intensive. Therefore, efforts have been made to develop efficient and accurate algorithms for NODDI microstructure estimation, which is still an open problem. In this work, we propose a deep network based approach that performs end-to-end estimation of NODDI microstructure, which is named Microstructure Estimation using a Deep Network (MEDN). MEDN comprises two cascaded stages and is motivated by the AMICO algorithm, where the NODDI microstructure estimation is formulated in a dictionary-based framework. The first stage computes the coefficients of the dictionary. It resembles the solution to a sparse reconstruction problem, where the iterative process in conventional estimation approaches is unfolded and truncated, and the weights are learned instead of predetermined by the dictionary. In the second stage, microstructure properties are computed from the output of the first stage, which resembles the weighted sum of normalized dictionary coefficients in AMICO, and the weights are also learned. Because spatial consistency of diffusion signals can be used to reduce the effect of noise, we also propose MEDN+, which is an extended version of MEDN. MEDN+ allows incorporation of neighborhood information by inserting a stage with learned weights before the MEDN structure, where the diffusion signals in the neighborhood of a voxel are processed. The weights in MEDN or MEDN+ are jointly learned from training samples that are acquired with diffusion gradients densely sampling the q-space. We performed MEDN and MEDN+ on brain dMRI scans, where two shells each with 30 gradient directions were used, and measured their accuracy with respect to the gold standard. Results demonstrate that the proposed networks outperform the competing methods. Copyright © 2017 Elsevier B.V. All rights reserved.

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.

The influence of adsorbent microstructure upon adsorption equilibria: Investigations of a model system

NASA Astrophysics Data System (ADS)

Kaminsky, R. D.; Monson, P. A.

1991-08-01

We present a theoretical study of the influence of the microstructure of a porous adsorbent upon associated adsorption behavior. A model is developed which describes the interactions of adsorbed molecules with an adsorbent treated as a matrix of particles each of which is a continuum of interaction centers. The model leads to an analytic expression for the adsorbate-adsorbent particle potential which is an analog of the 9-3 potential model for adsorption on planar solid surfaces. To illustrate the utility of the approach, an application to methane adsorbed in a microporous silica gel is presented. Several adsorbent microstructures are investigated, including a variety of crystal lattices as well as structures derived from equilibrium configurations of hard spheres. Adsorption in these structures is studied through calculation of Henry's law constants and by using grand canonical Monte Carlo simulation to determine adsorption isotherms and the structure of adsorbed fluids. The results obtained are related to details of the adsorbent microstructure.

Influence of Microstructure Representation on Flow Stress and Grain Size Prediction in Through-Process Modeling of AA5182 Sheet Production

NASA Astrophysics Data System (ADS)

Lohmar, Johannes; Bambach, Markus; Karhausen, Kai F.

2013-01-01

Integrated computational materials engineering is an up to date method for developing new materials and optimizing complete process chains. In the simulation of a process chain, material models play a central role as they capture the response of the material to external process conditions. While much effort is put into their development and improvement, less attention is paid to their implementation, which is problematic because the representation of microstructure in the model has a decisive influence on modeling accuracy and calculation speed. The aim of this article is to analyze the influence of different microstructure representation concepts on the prediction of flow stress and microstructure evolution when using the same set of material equations. Scalar, tree-based and cluster-based concepts are compared for a multi-stage rolling process of an AA5182 alloy. It was found that implementation influences the predicted flow stress and grain size, in particular in the regime of coupled hardening and softening.

Modelling the effect of intervillous flow on solute transfer based on 3D imaging of the human placental microstructure.

PubMed

Perazzolo, S; Lewis, R M; Sengers, B G

2017-12-01

A healthy pregnancy depends on placental transfer from mother to fetus. Placental transfer takes place at the micro scale across the placental villi. Solutes from the maternal blood are taken up by placental villi and enter the fetal capillaries. This study investigated the effect of maternal blood flow on solute uptake at the micro scale. A 3D image based modelling approach of the placental microstructures was undertaken. Solute transport in the intervillous space was modelled explicitly and solute uptake with respect to different maternal blood flow rates was estimated. Fetal capillary flow was not modelled and treated as a perfect sink. For a freely diffusing small solute, the flow of maternal blood through the intervillous space was found to be limiting the transfer. Ignoring the effects of maternal flow resulted in a 2.4 ± 0.4 fold over-prediction of transfer by simple diffusion, in absence of binding. Villous morphology affected the efficiency of solute transfer due to concentration depleted zones. Interestingly, less dense microvilli had lower surface area available for uptake which was compensated by increased flow due to their higher permeability. At super-physiological pressures, maternal flow was not limiting, however the efficiency of uptake decreased. This study suggests that the interplay between maternal flow and villous structure affects the efficiency of placental transfer but predicted that flow rate will be the major determinant of transfer. Copyright © 2017 Elsevier Ltd. All rights reserved.

A microstructural lattice model for strain oriented problems: A combined Monte Carlo finite element technique

NASA Technical Reports Server (NTRS)

Gayda, J.; Srolovitz, D. J.

1987-01-01

A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, was developed which simulates microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. In this approach, the microstructure is discretized onto a fine lattice. Each element in the lattice is labelled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis was validated by comparing this approach with a closed form, analytical method for stress assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analytical for multiparticle problems were also run and in general the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperature.

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

Microstructural analysis of the 2195 aluminum-lithium alloy welds

NASA Technical Reports Server (NTRS)

Talia, George E.

1993-01-01

The principal objective of this research was to explain a tendency of 2195 Al-Li alloy to crack at elevated temperature during welding. Therefore, a study was made on the effect of welding and thermal treatment on the microstructure of Al-Li Alloy 2195. The critical roles of precipitates, boundaries, phases, and other features of the microstructure were inferred from the crack propagation paths and the morphology of fracture surface of the alloy with different microstructures. Particular emphasis was placed on the microstructures generated by the welding process and the mechanisms of crack propagation in such structures. Variation of the welding parameters and thermal treatments were used to alter the micro/macro structures, and they were characterized by optical and scanning electron microscopy. A theoretical model is proposed to explain changes in the microstructure of welded material. This model proposes a chemical reaction in which gases from the air (i.e., nitrogen) release hydrogen inside the alloy. Such a reaction could generate large internal stresses capable to induce porosity and crack-like delamination in the material.

Histological, chemical, and morphological reexamination of the ``heart'' of a small Late Cretaceous Thescelosaurus

NASA Astrophysics Data System (ADS)

Cleland, Timothy P.; Stoskopf, Michael K.; Schweitzer, Mary H.

2011-03-01

A three-dimensional, iron-cemented structure found in the anterior thoracic cavity of articulated Thescelosaurus skeletal remains was hypothesized to be the fossilized remains of the animal's four-chambered heart. This was important because the finding could be interpreted to support a hypothesis that non-avian dinosaurs were endothermic. Mammals and birds, the only extant organisms with four-chambered hearts and single aortae, are endotherms. The hypothesis that this Thescelosaurus has a preserved heart was controversial, and therefore, we reexamined it using higher-resolution computed tomography, paleohistological examination, X-ray diffraction analysis, X-ray photoelectron spectroscopy, and scanning electron microscopy. This suite of analyses allows for detailed morphological and chemical examination beyond what was provided in the original work. Neither the more detailed examination of the gross morphology and orientation of the thoracic "heart" nor the microstructural studies supported the hypothesis that the structure was a heart. The more advanced computed tomography showed the same three areas of low density as the earlier studies with no evidence of additional low-density areas as might be expected from examinations of an ex situ ostrich heart. Microstructural examination of a fragment taken from the "heart" was consistent with cemented sand grains, and no chemical signal consistent with a biological origin was detected. However, small patches of cell-like microstructures were preserved in the sandstone matrix of the thoracic structure. A possible biological origin for these microstructures is the focus of ongoing investigation.

Microstructural evolution of pure tungsten neutron irradiated with a mixed energy spectrum

DOE PAGES

Koyanagi, Takaaki; Kumar, N. A. P. Kiran; Hwang, Taehyun; ...

2017-04-13

Here, microstructures of single-crystal bulk tungsten (W) and polycrystalline W foil with a strong grain texture were investigated using transmission electron microscopy following neutron irradiation at ~90–800 °C to 0.03–4.6 displacements per atom (dpa) in the High Flux Isotope Reactor with a mixed energy spectrum. The dominant irradiation defects were dislocation loops and small clusters at ~90 °C. Additional voids were formed in W irradiated at above 460 °C. Voids and precipitates involving transmutation rhenium and osmium were the dominant defects at more than ~1 dpa. We found a new phenomenon of microstructural evolution in irradiated polycrystalline W: Re- andmore » Os-rich precipitation along grain boundaries. Comparison of results between this study and previous studies using different irradiation facilities revealed that the microstructural evolution of pure W is highly dependent on the neutron energy spectrum in addition to the irradiation temperature and dose.« less

Microstructural evolution of pure tungsten neutron irradiated with a mixed energy spectrum

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

Koyanagi, Takaaki; Kumar, N. A. P. Kiran; Hwang, Taehyun

Here, microstructures of single-crystal bulk tungsten (W) and polycrystalline W foil with a strong grain texture were investigated using transmission electron microscopy following neutron irradiation at ~90–800 °C to 0.03–4.6 displacements per atom (dpa) in the High Flux Isotope Reactor with a mixed energy spectrum. The dominant irradiation defects were dislocation loops and small clusters at ~90 °C. Additional voids were formed in W irradiated at above 460 °C. Voids and precipitates involving transmutation rhenium and osmium were the dominant defects at more than ~1 dpa. We found a new phenomenon of microstructural evolution in irradiated polycrystalline W: Re- andmore » Os-rich precipitation along grain boundaries. Comparison of results between this study and previous studies using different irradiation facilities revealed that the microstructural evolution of pure W is highly dependent on the neutron energy spectrum in addition to the irradiation temperature and dose.« less

Ductility Improvement of an AZ61 Magnesium Alloy through Two-Pass Submerged Friction Stir Processing

PubMed Central

Luo, Xicai; Cao, Genghua; Zhang, Wen; Qiu, Cheng; Zhang, Datong

2017-01-01

Friction stir processing (FSP) has been considered as a novel technique to refine the grain size and homogenize the microstructure of metallic materials. In this study, two-pass FSP was conducted under water to enhance the cooling rate during processing, and an AZ61 magnesium alloy with fine-grained and homogeneous microstructure was prepared through this method. Compared to the as-cast material, one-pass FSP resulted in grain refinement and the β-Mg17Al12 phase was broken into small particles. Using a smaller stirring tool and an overlapping ratio of 100%, a finer and more uniform microstructure with an average grain size of 4.6 μm was obtained through two-pass FSP. The two-pass FSP resulted in a significant improvement in elongation of 37.2% ± 4.3%, but a slight decrease in strength compared with one-pass FSP alloy. Besides the microstructure refinement, the texture evolution in the stir zone is also considered responsible for the ductility improvement. PMID:28772614

Ultrasound finite element simulation sensitivity to anisotropic titanium microstructures

NASA Astrophysics Data System (ADS)

Freed, Shaun; Blackshire, James L.; Na, Jeong K.

2016-02-01

Analytical wave models are inadequate to describe complex metallic microstructure interactions especially for near field anisotropic property effects and through geometric features smaller than the wavelength. In contrast, finite element ultrasound simulations inherently capture microstructure influences due to their reliance on material definitions rather than wave descriptions. To better understand and quantify heterogeneous crystal orientation effects to ultrasonic wave propagation, a finite element modeling case study has been performed with anisotropic titanium grain structures. A parameterized model has been developed utilizing anisotropic spheres within a bulk material. The resulting wave parameters are analyzed as functions of both wavelength and sphere to bulk crystal mismatch angle.

Modeling of non-uniform spatial arrangement of fibers in a ceramic matrix composite

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

Yang, S.; Tewari, A.; Gokhale, A.M.

In the unidirectional fiber reinforced composites, the spatial agreement of fibers is often non-uniform. These non-uniformities are linked to the processing conditions, and they affect the properties of the composite. In this contribution, a recently developed digital image analysis technique is used to quantify the non-uniform spatial arrangement of Nicalon fibers in a ceramic matrix composite (CMC). These quantitative data are utilized to develop a six parameter computer simulated microstructure model that is statistically equivalent to the non-uniform microstructure of the CMC. The simulated microstructure can be utilized as a RVE for the micro-mechanical modeling studies.

Rheology of Rice Flour Dough with Gum Arabic: Small and Large-Deformation Studies, Sensory Assessment and Modeling.

PubMed

Shanthilal, J; Bhattacharya, Suvendu

2015-08-01

The absence of gluten protein makes the rice flour doughs difficult to handle when flattened/sheeted products are to be prepared. The rheological, sensory and microstructural changes in rice flour doughs having gum Arabic (0% to 5%, w/w) and moisture contents (44% to 50%) were studied for improving the dough handling characteristics. Rheological parameters like storage modulus (G') and complex viscosity (η*) decreased with an increase in moisture content while loss angle (δ) increased. A power-law type equation was suitable to relate angular frequency (ω) with G', G", and η* (0.814 ≤ r ≤ 0.999, P ≤ 0.01). An increase in gum and moisture contents increased δ from 6.9° to 15.5° but decreased the energy required for compression/flattening. The 6-element spring-dashpot model was suitable (r ≥ 0.991, P ≤ 0.01) for creep curves. The sensory panel had the opinion that dough with a low to moderate hardness between 3 and 4, and stickiness of ≤ 3.5 was suitable for the purpose of flattening in relation to the preparation of sheeted/flattened products; the appropriate condition for dough formulation was with the moisture and gum contents of 47.0% to 47.9% and 1.55% to 2.25%, respectively to offer the desirability index between 0.50 and 0.52. The microstructure of the rice flour dough in the absence of gum Arabic appeared to possess loosely bound flour particles. The presence of gum provided a coating on flour particles to yield dough having good cohesive microstructure. © 2015 Institute of Food Technologists®

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.

Robust and fast nonlinear optimization of diffusion MRI microstructure models.

PubMed

Harms, R L; Fritz, F J; Tobisch, A; Goebel, R; Roebroeck, A

2017-07-15

Advances in biophysical multi-compartment modeling for diffusion MRI (dMRI) have gained popularity because of greater specificity than DTI in relating the dMRI signal to underlying cellular microstructure. A large range of these diffusion microstructure models have been developed and each of the popular models comes with its own, often different, optimization algorithm, noise model and initialization strategy to estimate its parameter maps. Since data fit, accuracy and precision is hard to verify, this creates additional challenges to comparability and generalization of results from diffusion microstructure models. In addition, non-linear optimization is computationally expensive leading to very long run times, which can be prohibitive in large group or population studies. In this technical note we investigate the performance of several optimization algorithms and initialization strategies over a few of the most popular diffusion microstructure models, including NODDI and CHARMED. We evaluate whether a single well performing optimization approach exists that could be applied to many models and would equate both run time and fit aspects. All models, algorithms and strategies were implemented on the Graphics Processing Unit (GPU) to remove run time constraints, with which we achieve whole brain dataset fits in seconds to minutes. We then evaluated fit, accuracy, precision and run time for different models of differing complexity against three common optimization algorithms and three parameter initialization strategies. Variability of the achieved quality of fit in actual data was evaluated on ten subjects of each of two population studies with a different acquisition protocol. We find that optimization algorithms and multi-step optimization approaches have a considerable influence on performance and stability over subjects and over acquisition protocols. The gradient-free Powell conjugate-direction algorithm was found to outperform other common algorithms in terms of run time, fit, accuracy and precision. Parameter initialization approaches were found to be relevant especially for more complex models, such as those involving several fiber orientations per voxel. For these, a fitting cascade initializing or fixing parameter values in a later optimization step from simpler models in an earlier optimization step further improved run time, fit, accuracy and precision compared to a single step fit. This establishes and makes available standards by which robust fit and accuracy can be achieved in shorter run times. This is especially relevant for the use of diffusion microstructure modeling in large group or population studies and in combining microstructure parameter maps with tractography results. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Direct numerical simulations in solid mechanics for quantifying the macroscale effects of microstructure and material model-form error

DOE PAGES

Bishop, Joseph E.; Emery, John M.; Battaile, Corbett C.; ...

2016-03-16

Two fundamental approximations in macroscale solid-mechanics modeling are (1) the assumption of scale separation in homogenization theory and (2) the use of a macroscopic plasticity material model that represents, in a mean sense, the multitude of inelastic processes occurring at the microscale. With the goal of quantifying the errors induced by these approximations on engineering quantities of interest, we perform a set of direct numerical simulations (DNS) in which polycrystalline microstructures are embedded throughout a macroscale structure. The largest simulations model over 50,000 grains. The microstructure is idealized using a randomly close-packed Voronoi tessellation in which each polyhedral Voronoi cellmore » represents a grain. An face centered cubic crystal-plasticity model is used to model the mechanical response of each grain. The overall grain structure is equiaxed, and each grain is randomly oriented with no overall texture. The detailed results from the DNS simulations are compared to results obtained from conventional macroscale simulations that use homogeneous isotropic plasticity models. The macroscale plasticity models are calibrated using a representative volume element of the idealized microstructure. Furthermore, we envision that DNS modeling will be used to gain new insights into the mechanics of material deformation and failure.« less

Microstructure of Amorphous and Semi-Crystalline Polymers.

DTIC Science & Technology

1981-06-07

of these materials. Further, the occurrence of nodular structures is difficult to reconcile with the results of studies of small angle neutron ...scattering and small angle neutron scattering studies of the same materials. Based on the combined results of these studies , it is suggested that the nodular...relevance here were reviewed by Flory.’ In addition to these, the results of studies using small angle neutron scattering’ and wide angle X-ray scattering

An efficient algorithm for generating diverse microstructure sets and delineating properties closures

DOE PAGES

Johnson, Oliver K.; Kurniawan, Christian

2018-02-03

Properties closures delineate the theoretical objective space for materials design problems, allowing designers to make informed trade-offs between competing constraints and target properties. In this paper, we present a new algorithm called hierarchical simplex sampling (HSS) that approximates properties closures more efficiently and faithfully than traditional optimization based approaches. By construction, HSS generates samples of microstructure statistics that span the corresponding microstructure hull. As a result, we also find that HSS can be coupled with synthetic polycrystal generation software to generate diverse sets of microstructures for subsequent mesoscale simulations. Finally, by more broadly sampling the space of possible microstructures, itmore » is anticipated that such diverse microstructure sets will expand our understanding of the influence of microstructure on macroscale effective properties and inform the construction of higher-fidelity mesoscale structure-property models.« less

An efficient algorithm for generating diverse microstructure sets and delineating properties closures

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

Johnson, Oliver K.; Kurniawan, Christian

Properties closures delineate the theoretical objective space for materials design problems, allowing designers to make informed trade-offs between competing constraints and target properties. In this paper, we present a new algorithm called hierarchical simplex sampling (HSS) that approximates properties closures more efficiently and faithfully than traditional optimization based approaches. By construction, HSS generates samples of microstructure statistics that span the corresponding microstructure hull. As a result, we also find that HSS can be coupled with synthetic polycrystal generation software to generate diverse sets of microstructures for subsequent mesoscale simulations. Finally, by more broadly sampling the space of possible microstructures, itmore » is anticipated that such diverse microstructure sets will expand our understanding of the influence of microstructure on macroscale effective properties and inform the construction of higher-fidelity mesoscale structure-property models.« less

Computational Study of the Effect of Cortical Porosity on Ultrasound Wave Propagation in Healthy and Osteoporotic Long Bones

PubMed Central

T. Potsika, Vassiliki; N. Grivas, Konstantinos; Gortsas, Theodoros; Iori, Gianluca; C. Protopappas, Vasilios; Raum, Kay; Polyzos, Demosthenes; I. Fotiadis, Dimitrios

2016-01-01

Computational studies on the evaluation of bone status in cases of pathologies have gained significant interest in recent years. This work presents a parametric and systematic numerical study on ultrasound propagation in cortical bone models to investigate the effect of changes in cortical porosity and the occurrence of large basic multicellular units, simply called non-refilled resorption lacunae (RL), on the velocity of the first arriving signal (FAS). Two-dimensional geometries of cortical bone are established for various microstructural models mimicking normal and pathological tissue states. Emphasis is given on the detection of RL formation which may provoke the thinning of the cortical cortex and the increase of porosity at a later stage of the disease. The central excitation frequencies 0.5 and 1 MHz are examined. The proposed configuration consists of one point source and multiple successive receivers in order to calculate the FAS velocity in small propagation paths (local velocity) and derive a variation profile along the cortical surface. It was shown that: (a) the local FAS velocity can capture porosity changes including the occurrence of RL with different number, size and depth of formation; and (b) the excitation frequency 0.5 MHz is more sensitive for the assessment of cortical microstructure. PMID:28773331

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).

Prediction and Optimization of Phase Transformation Region After Spot Continual Induction Hardening Process Using Response Surface Method

NASA Astrophysics Data System (ADS)

Qin, Xunpeng; Gao, Kai; Zhu, Zhenhua; Chen, Xuliang; Wang, Zhou

2017-09-01

The spot continual induction hardening (SCIH) process, which is a modified induction hardening, can be assembled to a five-axis cooperating computer numerical control machine tool to strengthen more than one small area or relatively large area on complicated component surface. In this study, a response surface method was presented to optimize phase transformation region after the SCIH process. The effects of five process parameters including feed velocity, input power, gap, curvature and flow rate on temperature, microstructure, microhardness and phase transformation geometry were investigated. Central composition design, a second-order response surface design, was employed to systematically estimate the empirical models of temperature and phase transformation geometry. The analysis results indicated that feed velocity has a dominant effect on the uniformity of microstructure and microhardness, domain size, oxidized track width, phase transformation width and height in the SCIH process while curvature has the largest effect on center temperature in the design space. The optimum operating conditions with 0.817, 0.845 and 0.773 of desirability values are expected to be able to minimize ratio (tempering region) and maximize phase transformation width for concave, flat and convex surface workpieces, respectively. The verification result indicated that the process parameters obtained by the model were reliable.

Optical and electrical properties of Mn1.56Co0.96Ni0.48O4 thin films

NASA Astrophysics Data System (ADS)

Gao, Y. Q.; Huang, Z. M.; Hou, Y.; Wu, J.; Chu, J. H.

2013-12-01

Mn1.56Co0.96Ni0.48O4 (MCN) films with different layers have been prepared on Al2O3 substrate by chemical solution deposition method. The microstructures, optical and electrical properties of the films are investigated. X-ray diffraction and microstructure analyses show good crystallization and both the crystalline quality and the grain size are improved with the increasing thickness of the films. Mid-infrared optical properties of MCN films have been investigated using transmission spectra. The results show the red shift of absorption with the increasing film thickness and the energy gap Eg decrease from 0.6422 eV to 0.6354 eV. All the MCN films show an exponential decrease in the resistivity with increasing temperature within the measured range. The temperature dependence resistivity can be described by the small polarons hopping model. Using this model, the characteristic temperature T0 and activation energy E of the MCN films were derived. With the film thickness increase, the T0 and E of the MCN films increase. The calculated room temperature coefficient of resistance (TCR) of MCN film with 100 layers is -3.5% K-1. The MCN films showed appropriate resistance and high value of TCR, these advantages make them very preponderant for thermal sensors.

Effect of surface microstructure on electrochemical performance of garnet solid electrolytes.

PubMed

Cheng, Lei; Chen, Wei; Kunz, Martin; Persson, Kristin; Tamura, Nobumichi; Chen, Guoying; Doeff, Marca

2015-01-28

Cubic garnet phases based on Al-substituted Li7La3Zr2O12 (LLZO) have high ionic conductivities and exhibit good stability versus metallic lithium, making them of particular interest for use in next-generation rechargeable battery systems. However, high interfacial impedances have precluded their successful utilization in such devices until the present. Careful engineering of the surface microstructure, especially the grain boundaries, is critical to achieving low interfacial resistances and enabling long-term stable cycling with lithium metal. This study presents the fabrication of LLZO heterostructured solid electrolytes, which allowed direct correlation of surface microstructure with the electrochemical characteristics of the interface. Grain orientations and grain boundary distributions of samples with differing microstructures were mapped using high-resolution synchrotron polychromatic X-ray Laue microdiffraction. The electrochemical characteristics are strongly dependent upon surface microstructure, with small grained samples exhibiting much lower interfacial resistances and better cycling behavior than those with larger grain sizes. Low area specific resistances of 37 Ω cm(2) were achieved; low enough to ensure stable cycling with minimal polarization losses, thus removing a significant obstacle toward practical implementation of solid electrolytes in high energy density batteries.

Phase Transformations and Microstructural Evolution: Part I

DOE PAGES

Clarke, Amy Jean

2015-08-29

The activities of the Phase Transformations Committee of the Materials Processing & Manufacturing Division (MPMD) of The Minerals, Metals & Materials Society (TMS) are oriented toward understanding the fundamental aspects of phase transformations. Emphasis is placed on the thermodynamic driving forces for phase transformations, the kinetics of nucleation and growth, interfacial structures and energies, transformation crystallography, surface reliefs, and, above all, the atomic mechanisms of phase transformations. Phase transformations and microstructural evolution are directly linked to materials processing, properties, and performance, including in extreme environments, of structural metal alloys. In this paper, aspects of phase transformations and microstructural evolution aremore » highlighted from the atomic to the microscopic scale for ferrous and non-ferrous alloys. Many papers from this issue are highlighted with small summaries of their scientific achievements given.« less

Microstructures and magnetic properties of Co-Al-O granular thin films

NASA Astrophysics Data System (ADS)

Ohnuma, M.; Hono, K.; Onodera, H.; Ohnuma, S.; Fujimori, H.; Pedersen, J. S.

2000-01-01

The microstructures of Co-Al-O thin films of wide varieties of compositions are studied by transmission electron microscopy and small angle x-ray scattering (SAXS). In the superparamagnetic specimens, high resolution electron microscope images reveal that isolated spherical Co particles are surrounded by an amorphous aluminum oxide matrix. However, in the soft ferromagnetic films, the shape of the Co particles is prolate ellipsoidal. SAXS intensities from the soft magnetic specimens decrease inversely with the wave vector, q, in a low wave-vector region, while an interparticle interference peak is observed for the superparamagnetic specimens. The scattering profiles of the soft magnetic films imply that the Co particles have a cylindrical shape and are randomly oriented. The correlation between the magnetic properties and the microstructures is discussed.

Multiscale Modeling of Ceramic Matrix Composites

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Mital, Subodh K.; Pineda, Evan J.; Arnold, Steven M.

2015-01-01

Results of multiscale modeling simulations of the nonlinear response of SiC/SiC ceramic matrix composites are reported, wherein the microstructure of the ceramic matrix is captured. This micro scale architecture, which contains free Si material as well as the SiC ceramic, is responsible for residual stresses that play an important role in the subsequent thermo-mechanical behavior of the SiC/SiC composite. Using the novel Multiscale Generalized Method of Cells recursive micromechanics theory, the microstructure of the matrix, as well as the microstructure of the composite (fiber and matrix) can be captured.

Stress Rupture Fracture Model and Microstructure Evolution for Waspaloy

NASA Astrophysics Data System (ADS)

Yao, Zhihao; Zhang, Maicang; Dong, Jianxin

2013-07-01

Stress rupture behavior and microstructure evolution of nickel-based superalloy Waspaloy specimens from tenon teeth of an as-received 60,000-hour service-exposed gas turbine disk were studied between 923 K and 1088 K (650 °C and 815 °C) under initial applied stresses varying from 150 to 840 MPa. Good microstructure stability and performance were verified for this turbine disk prior to stress rupture testing. Microstructure instability, such as the coarsening and dissolution of γ' precipitates at the varying test conditions, was observed to be increased with temperature and reduced stress. Little microstructure variation was observed at 923 K (650 °C). Only secondary γ' instability occurred at 973 K (700 °C). Four fracture mechanisms were obtained. Transgranular creep fracture was exhibited up to 923 K (650 °C) and at high stress. A mixed mode of transgranular and intergranular creep fracture occurred with reduced stress as a transition to intergranular creep fracture (ICF) at low stress. ICF was dominated by grain boundary sliding at low temperature and by the nucleation and growth of grain boundary cavities due to microstructure instability at high temperature. The fracture mechanism map and microstructure-related fracture model were constructed. Residual lifetime was also evaluated by the Larson-Miller parameter method.

Microstructure-failure mode correlations in braided composites

NASA Technical Reports Server (NTRS)

Filatovs, G. J.; Sadler, Robert L.; El-Shiekh, Aly

1992-01-01

Explication of the fracture processes of braided composites is needed for modeling their behavior. Described is a systematic exploration of the relationship between microstructure, loading mode, and micro-failure mechanisms in carbon/epoxy braided composites. The study involved compression and fracture toughness tests and optical and scanning electron fractography, including dynamic in-situ testing. Principal failure mechanisms of low sliding, buckling, and unstable crack growth are correlated to microstructural parameters and loading modes; these are used for defining those microstructural conditions which are strength limiting.

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.

Processing and mechanical properties of metal-ceramic composites with controlled microstructure formed by reactive metal penetration

NASA Astrophysics Data System (ADS)

Ellerby, Donald Thomas

1999-12-01

Compared to monolithic ceramics, metal-reinforced ceramic composites offer the potential for improved toughness and reliability in ceramic materials. As such, there is significant scientific and commercial interest in the microstructure and properties of metal-ceramic composites. Considerable work has been conducted on modeling the toughening behavior of metal reinforcements in ceramics; however, there has been limited application and testing of these concepts on real systems. Composites formed by newly developed reactive processes now offer the flexibility to systematically control metal-ceramic composite microstructure, and to test some of the property models that have been proposed for these materials. In this work, the effects of metal-ceramic composite microstructure on resistance curve (R-curve) behavior, strength, and reliability were systematically investigated. Al/Al2O3 composites were formed by reactive metal penetration (RMP) of aluminum metal into aluminosilicate ceramic preforms. Processing techniques were developed to control the metal content, metal composition, and metal ligament size in the resultant composite microstructure. Quantitative stereology and microscopy were used to characterize the composite microstructures, and then the influence of microstructure on strength, toughness, R-curve behavior, and reliability, was investigated. To identify the strength limiting flaws in the composite microstructure, fractography was used to determine the failure origins. Additionally, the crack bridging tractions produced by the metal ligaments in metal-ceramic composites formed by the RMP process were modeled. Due to relatively large flaws and low bridging stresses in RMP composites, no dependence of reliability on R-curve behavior was observed. The inherent flaws formed during reactive processing appear to limit the strength and reliability of composites formed by the RMP process. This investigation has established a clear relationship between processing, microstructure, and properties in metal-ceramic composites formed by the RMP process. RMP composite properties are determined by the metal-ceramic composite microstructure (e.g., metal content and ligament size), which can be systematically varied by processing. Furthermore, relative to the ceramic preforms used to make the composites, metal-ceramic composites formed by RMP generally have improved properties and combinations of properties that make them more desirable for advanced engineering applications.

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.

Effect of grain morphology on gas bubble swelling in UMo fuels – A 3D microstructure dependent Booth model

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

Hu, Shenyang; Burkes, Douglas; Lavender, Curt A.

2016-11-01

A three dimensional microstructure dependent swelling model is developed for studying the fission gas swelling kinetics in irradiated nuclear fuels. The model is extended from the Booth model [1] in order to investigate the effect of heterogeneous microstructures on gas bubble swelling kinetics. As an application of the model, the effect of grain morphology, fission gas diffusivity, and spatial dependent fission rate on swelling kinetics are simulated in UMo fuels. It is found that the decrease of grain size, the increase of grain aspect ratio for the grain having the same volume, and the increase of fission gas diffusivity (fissionmore » rate) cause the increase of swelling kinetics. Other heterogeneities such as second phases and spatial dependent thermodynamic properties including diffusivity of fission gas, sink and source strength of defects could be naturally integrated into the model to enhance the model capability.« less

Study of composite thin films for applications in high density data storage

NASA Astrophysics Data System (ADS)

Yuan, Hua

Granular Co-alloy + oxide thin films are currently used as the magnetic recording layer of perpendicular media in hard disk drives. The microstructure of these films is composed mainly of fine (7--10 nm) magnetic grains physically surrounded by oxide phases, which produce magnetic isolation of the grains. As a result, the magnetic switching volume is maintained as small as the physical grain size. Consequently, ample number of magnetic switching units can be obtained in one recording bit, in other words, higher signal to noise ratios (SNR) can be achieved. Therefore, a good understanding and control of the microstructure of the films is very important for high areal density magnetic recording media. Interlayers and seedlayers play important roles in controlling the microstructure in terms of grain size, grain size distribution, oxide segregation and orientation dispersion of the crystallographic texture. Developing novel interlayers or seedlayers with smaller grain size is a key approach to produce smaller grain size in the recording layer. This study focuses on how to achieve smaller grain sizes in the recording layer through novel interlayer/seedlayer materials and processes. It also discusses the resulting microstructure in smaller-grain-size thin films. Metal + oxide (e.g. Ru + SiO2) composite thin films were chosen as interlayer and seedlayer materials due to their unique segregated microstructure. Such layers can be grown epitaxially on top of fcc metal seedlayers with good orientation. It can also provide an epitaxial growth template for the subsequent magnetic layer (recording layer). The metal and oxide phases in the composite thin films are immiscible. The final microstructure of the interlayer depends on factors, such as, sputtering pressure, oxide species, oxide volume fraction, thickness, alloy composition, temperature etc. Moreover, it has been found that the microstructure of the composite thin films is affected mostly by two important factors---oxide volume fraction and sputtering pressure. The latter affects grain size and grain segregation through surface-diffusion modification and the self-shadowing effect. The composite Ru + oxide interlayers were found to have various microstructures under various sputtering conditions. Four characteristic microstructure zones can be identified as a function of oxide volume fraction and sputtering pressure---"percolated" (A), "maze" (T), "granular" (B) and "embedded" (C), based on which, a new structural zone model (SZM) is established for composite thin films. The granular microstructure of zone B is of particular interest for recording media application. The grain size of interlayers is a strong function of pressure, oxide species and oxide volume fraction. Magnetic layers grown on top of these interlayers were found to be significantly affected by the interlayer microstructure. One-to-one grain epitaxial growth is very difficult to achieve when the grain size is too small. As a result, the magnetic properties of smaller grain size magnetic layers deteriorate due to poor growth. This presents a huge challenge to high areal density magnetic recording media. A novel approach of Ar-ion etched Ru seedlayer, which can improve epitaxy between interlayer and magnetic layer is proposed. This method produces interlayer thin films of: (1) smaller grain size and higher nucleation density due to both a rougher seedlayer surface and an oxide addition in the interlayer; (2) good (00.2) texture due to the growth on top of the low pressure deposited Ru seedlayer; (3) dome-shape grain morphology due to the high pressure deposition. Therefore, a significant Ru grain size reduction with enhanced granular morphology and improved grain-to-grain epitaxy with the magnetic layer was achieved. High resolution transmission electron microscopy (TEM) techniques, such as, electron energy loss spectroscopy (EELS), energy-filtered TEM (EFTEM), energy-dispersive X-ray spectroscopy (EDS) and mapping, and high angle annular dark field (HAADF) imaging have been utilized to investigate elemental distribution and grain morphology in composite magnetic thin films of different grain sizes. An oxygen-rich grain shell of about 0.5 ˜ 1 nm thickness is often observed for most media with different grain sizes. Reducing the grain size increases surface to volume ratio. With more surface area, smaller grains are more vulnerable to oxidization, resulting in even greater influence of the oxide on the magnetic properties of the grains.

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.

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.

Fatigue Crack Growth Behavior and Microstructural Mechanisms in Ti-6Al-4V Manufactured by Laser Engineered Net Shaping

DTIC Science & Technology

2015-12-01

hardening heat treatment were the controlling factors of the fatigue resistance, while testing directions have the least impact. Leuders et al. [16...radius. The microstructurally-small fatigue crack growth test was run under load control at constant stress ratio R=0.1 and a cyclic frequency of 20 Hz...not been thoroughly investigated. In this study, long fatigue crack growth tests were conducted at two stress ratios (R=0.1 and 0.8), using Ti-6Al

Effects of Microalloying on the Microstructures and Mechanical Properties of Directionally Solidified Ni-33(at.%)Al-31Cr-3Mo Eutectic Alloys Investigated

NASA Technical Reports Server (NTRS)

Whittenberger, J. Daniel; Raj, Sai V.; Locci, Ivan E.; Salem, Jonathan A.

2002-01-01

Despite nickel aluminide (NiAl) alloys' attractive combination of oxidation and thermophysical properties, their development as replacements for superalloy airfoils in gas turbine engines has been largely limited by difficulties in developing alloys with an optimum combination of elevated-temperature creep resistance and room-temperature fracture toughness. Alternatively, research has focused on developing directionally solidified NiAl-based in situ eutectic composites composed of NiAl and (Cr,Mo) phases in order to obtain a desirable combination of properties a systematic investigation was undertaken at the NASA Glenn Research Center to examine the effects of small additions of 11 alloying elements (Co, Cu, Fe, Hf, Mn, Nb, Re, Si, Ta, Ti, and Zr) in amounts varying from 0.25 to 1.0 at.% on the elevated-temperature strength and room-temperature fracture toughness of directionally solidified Ni-33Al-31Cr-3Mo eutectic alloy. The alloys were grown at 12.7 mm/hr, where the unalloyed eutectic base alloy exhibited a planar eutectic microstructure. The different microstructures that formed because of these fifth-element additions are included in the table. The additions of these elements even in small amounts resulted in the formation of cellular microstructures, and in some cases, dendrites and third phases were observed. Most of these elemental additions did not improve either the elevated-temperature strength or the room-temperature fracture toughness over that of the base alloy. However, small improvements in the compression strength were observed between 1200 and 1400 K when 0.5 at.% Hf and 0.25 at.% Ti were added to the base alloy. The results of this study suggest that the microalloying of Ni-33Al-31Cr-3Mo will not significantly improve either its elevatedtemperature strength or its room-temperature fracture toughness. Thus, any improvements in these properties must be acquired by changing the processing conditions.

Phase transformation kinetics in rolled U-10 wt. % Mo foil: Effect of post-rolling heat treatment and prior γ-UMo grain size

DOE PAGES

Jana, Saumyadeep; Overman, Nicole; Varga, Tamas; ...

2017-09-25

Here, the effect of sub-eutectoid heat treatment on the phase transformation behavior in rolled U-10 wt.% Mo (U10Mo) foils was systematically investigated. The as-cast 5 mm thick foils were initially homogenized at 900 °C for 48 h and were hot rolled to 2 mm and later cold rolled down to 0.2 mm. Three starting microstructures were evaluated: (i) hot + cold-rolled to 0.2 mm (as-rolled condition), (ii) hot + cold-rolled to 0.2 mm + annealed at 700 °C for 1 h, and (iii) hot + cold-rolled to 0.2 mm + annealed at 1000 °C for 60 h. Annealing of as-rolledmore » materials at 700 °C resulted in small grain size (15 ± 9 μm average grain size), while annealing at 1000 °C led to very large grains (156 ± 118 μm average grain size) in rolled U10Mo foils. Later the samples were subjected to sub-eutectoid heat-treatment temperatures of 550 °C, 500 °C, and 400 °C for different durations of time starting from 1 h up to 100 h. U10Mo rolled foils went through various degrees of decomposition when subjected to the sub-eutectoid heat-treatment step and formed a lamellar microstructure through a cellular reaction mostly along the previous γ-UMo grain boundaries. The least amount of cellular reaction was observed in the large-grain microstructure at all temperatures. Conversely, a substantial amount of cellular reaction was observed in both the as-rolled and the small-grain microstructure. After 100 h of heat treatment at 500 °C, the volume fraction of the lamellar phase was found to be 4%, 22%, and 82% in large-grain, as-rolled, and small-grain samples, respectively.« less

Phase transformation kinetics in rolled U-10 wt. % Mo foil: Effect of post-rolling heat treatment and prior γ-UMo grain size

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

Jana, Saumyadeep; Overman, Nicole; Varga, Tamas

Here, the effect of sub-eutectoid heat treatment on the phase transformation behavior in rolled U-10 wt.% Mo (U10Mo) foils was systematically investigated. The as-cast 5 mm thick foils were initially homogenized at 900 °C for 48 h and were hot rolled to 2 mm and later cold rolled down to 0.2 mm. Three starting microstructures were evaluated: (i) hot + cold-rolled to 0.2 mm (as-rolled condition), (ii) hot + cold-rolled to 0.2 mm + annealed at 700 °C for 1 h, and (iii) hot + cold-rolled to 0.2 mm + annealed at 1000 °C for 60 h. Annealing of as-rolledmore » materials at 700 °C resulted in small grain size (15 ± 9 μm average grain size), while annealing at 1000 °C led to very large grains (156 ± 118 μm average grain size) in rolled U10Mo foils. Later the samples were subjected to sub-eutectoid heat-treatment temperatures of 550 °C, 500 °C, and 400 °C for different durations of time starting from 1 h up to 100 h. U10Mo rolled foils went through various degrees of decomposition when subjected to the sub-eutectoid heat-treatment step and formed a lamellar microstructure through a cellular reaction mostly along the previous γ-UMo grain boundaries. The least amount of cellular reaction was observed in the large-grain microstructure at all temperatures. Conversely, a substantial amount of cellular reaction was observed in both the as-rolled and the small-grain microstructure. After 100 h of heat treatment at 500 °C, the volume fraction of the lamellar phase was found to be 4%, 22%, and 82% in large-grain, as-rolled, and small-grain samples, respectively.« less

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

Imaging brain microstructure with diffusion MRI: practicality and applications.

PubMed

Alexander, Daniel C; Dyrby, Tim B; Nilsson, Markus; Zhang, Hui

2017-11-29

This article gives an overview of microstructure imaging of the brain with diffusion MRI and reviews the state of the art. The microstructure-imaging paradigm aims to estimate and map microscopic properties of tissue using a model that links these properties to the voxel scale MR signal. Imaging techniques of this type are just starting to make the transition from the technical research domain to wide application in biomedical studies. We focus here on the practicalities of both implementing such techniques and using them in applications. Specifically, the article summarizes the relevant aspects of brain microanatomy and the range of diffusion-weighted MR measurements that provide sensitivity to them. It then reviews the evolution of mathematical and computational models that relate the diffusion MR signal to brain tissue microstructure, as well as the expanding areas of application. Next we focus on practicalities of designing a working microstructure imaging technique: model selection, experiment design, parameter estimation, validation, and the pipeline of development of this class of technique. The article concludes with some future perspectives on opportunities in this topic and expectations on how the field will evolve in the short-to-medium term. Copyright © 2017 John Wiley & Sons, Ltd.

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

Evolution of microstructure, strain and physical properties in oxide nanocomposite films

DOE PAGES

Chen, Aiping; Weigand, Marcus; Bi, Zhenxing; ...

2014-06-24

Using LSMO:ZnO nanocomposite films as a model system, we have researched the effect of film thickness on the physical properties of nanocomposites. It shows that strain, microstructure, as well as magnetoresistance strongly rely on film thickness. The magnetotransport properties have been fitted by a modified parallel connection channel model, which is in agreement with the microstructure evolution as a function of film thickness in nanocomposite films on sapphire substrates. The strain analysis indicates that the variation of physical properties in nanocomposite films on LAO is dominated by strain effect. These results confirm the critical role of film thickness on microstructures,more » strain states, and functionalities. Furthermore, it shows that one can use film thickness as a key parameter to design nanocomposites with optimum functionalities.« less

Thermal Effects on Microstructural Heterogeneity of Inconel 718 Materials Fabricated by Electron Beam Melting

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

Sames, William J.; Unocic, Kinga A.; Dehoff, Ryan R.

2014-07-28

Additive manufacturing (AM) technologies, also known as 3D printing, have demonstrated the potential to fabricate complex geometrical components, but the resulting microstructures and mechanical properties of these materials are not well understood due to unique and complex thermal cycles observed during processing. The electron beam melting (EBM) process is unique because the powder bed temperature can be elevated and maintained at temperatures over 1000 °C for the duration of the process. This results in three specific stages of microstructural phase evolution: (a) rapid cool down from the melting temperature to the process temperature, (b) extended hold at the process temperature,more » and (c) slow cool down to the room temperature. In this work, the mechanisms for reported microstructural differences in EBM are rationalized for Inconel 718 based on measured thermal cycles, preliminary thermal modeling, and computational thermodynamics models. The relationship between processing parameters, solidification microstructure, interdendritic segregation, and phase precipitation (δ, γ´, and γ´´) are discussed.« less

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

Stochastic modelling of microstructure formation in solidification processes

NASA Astrophysics Data System (ADS)

Nastac, Laurentiu; Stefanescu, Doru M.

1997-07-01

To relax many of the assumptions used in continuum approaches, a general stochastic model has been developed. The stochastic model can be used not only for an accurate description of the fraction of solid evolution, and therefore accurate cooling curves, but also for simulation of microstructure formation in castings. The advantage of using the stochastic approach is to give a time- and space-dependent description of solidification processes. Time- and space-dependent processes can also be described by partial differential equations. Unlike a differential formulation which, in most cases, has to be transformed into a difference equation and solved numerically, the stochastic approach is essentially a direct numerical algorithm. The stochastic model is comprehensive, since the competition between various phases is considered. Furthermore, grain impingement is directly included through the structure of the model. In the present research, all grain morphologies are simulated with this procedure. The relevance of the stochastic approach is that the simulated microstructures can be directly compared with microstructures obtained from experiments. The computer becomes a `dynamic metallographic microscope'. A comparison between deterministic and stochastic approaches has been performed. An important objective of this research was to answer the following general questions: (1) `Would fully deterministic approaches continue to be useful in solidification modelling?' and (2) `Would stochastic algorithms be capable of entirely replacing purely deterministic models?'

Detection of percolating paths in polyhedral segregated network composites using electrostatic force microscopy and conductive atomic force microscopy

NASA Astrophysics Data System (ADS)

Waddell, J.; Ou, R.; Capozzi, C. J.; Gupta, S.; Parker, C. A.; Gerhardt, R. A.; Seal, K.; Kalinin, S. V.; Baddorf, A. P.

2009-12-01

Composite specimens possessing polyhedral segregated network microstructures require a very small amount of nanosize filler, <1 vol %, to reach percolation because percolation occurs by accumulation of the fillers along the edges of the deformed polymer matrix particles. In this paper, electrostatic force microscopy (EFM) and conductive atomic force microscopy (C-AFM) were used to confirm the location of the nanosize fillers and the corresponding percolating paths in polymethyl methacrylate/carbon black composites. The EFM and C-AFM images revealed that the polyhedral polymer particles were coated with filler, primarily on the edges as predicted by the geometric models provided.

Modeling of microstructure evolution in direct metal laser sintering: A phase field approach

NASA Astrophysics Data System (ADS)

Nandy, Jyotirmoy; Sarangi, Hrushikesh; Sahoo, Seshadev

2017-02-01

Direct Metal Laser Sintering (DMLS) is a new technology in the field of additive manufacturing, which builds metal parts in a layer by layer fashion directly from the powder bed. The process occurs within a very short time period with rapid solidification rate. Slight variations in the process parameters may cause enormous change in the final build parts. The physical and mechanical properties of the final build parts are dependent on the solidification rate which directly affects the microstructure of the material. Thus, the evolving of microstructure plays a vital role in the process parameters optimization. Nowadays, the increase in computational power allows for direct simulations of microstructures during materials processing for specific manufacturing conditions. In this study, modeling of microstructure evolution of Al-Si-10Mg powder in DMLS process was carried out by using a phase field approach. A MATLAB code was developed to solve the set of phase field equations, where simulation parameters include temperature gradient, laser scan speed and laser power. The effects of temperature gradient on microstructure evolution were studied and found that with increase in temperature gradient, the dendritic tip grows at a faster rate.

Mesoscale Thermodynamically motivated Statistical Mechanics based Kinetic Model for Sintering monoliths

NASA Astrophysics Data System (ADS)

Mohan, Nisha

Modeling the evolution of microstructure during sintering is a persistent challenge in ceramics science, although needed as the microstructure impacts properties of an engineered material. Bridging the gap between microscopic and continuum models, kinetic Monte Carlo (kMC) methods provide a stochastic approach towards sintering and microstructure evolution. These kMC models work at the mesoscale, with length and time-scales between those of atomistic and continuum approaches. We develop a sintering/compacting model for the two-phase sintering of boron nitride ceramics and allotropes alike. Our formulation includes mechanisms for phase transformation between h-BN and c-BN and takes into account thermodynamics of pressure and temperature on interaction energies and mechanism rates. In addition to replicating the micro-structure evolution observed in experiments, it also captures the phase diagram of Boron Nitride materials. Results have been analyzed in terms of phase diagrams and crystal growth. It also serves with insights to guide the choice of additives and conditions for the sintering process.While detailed time and spatial resolutions are lost in any MC, the progression of stochastic events still captures plausible local energy minima and long-time temporal developments. DARPA.

High temperature coarsening of Cr2Nb precipitates in Cu-8 Cr-4 Nb alloy

NASA Technical Reports Server (NTRS)

Anderson, Kenneth Reed

1996-01-01

A new high-temperature-strength, high-conductivity Cu-Cr-Nb alloy with a CrNb ratio of 2:1 was developed to achieve improved performance and durability. The Cu-8 Cr4 Nb alloy studied has demonstrated remarkable thermal and microstructural stability after long exposures at temperatures up to 0.98 T(sub m). This stability was mainly attributed to the slow coarsening kinetics of the Cr2Nb precipitates present in the alloy. At all temperatures, the microstructure consists of a bimodal and sometimes trimodal distribution of strengthening Cr2Nb precipitates, depending on precipitation condition, i.e. from liquid or solid solution, and cooling rates. These precipitates remain in the same size range, i.e. large precipitates of approximately I pm, and small precipitates less dm 300 nm, and effectively pin the grain boundaries thus retaining a fine grain size of 2.7 micro-m after 100 h at 1323 K. (A relatively small number of Cr-rich and Nb-rich particles were also present.) This grain boundary pinning and sluggish coarsening of Cr2Nb particles explain the retention of good mechanical properties after prolonged holding at very high temperatures, e.g., 75% of the original hardness after aging for 100 h at 1273 K. Application of LSW-based coarsening models indicated that the coarsening kinetics of the large precipitates are most likely governed by grain boundary diffsion and, to a lesser extent, volume diffusion mechanisms.

Analysis of New Composite Architectures

NASA Technical Reports Server (NTRS)

Whitcomb, John D.

1996-01-01

Efficient and accurate specialty finite elements methods to analyze textile composites were developed and are described. Textile composites present unique challenges to the analyst because of the large, complex 'microstructure'. The geometry of the microstructure is difficult to model and it introduces unusual free surface effects. The size of the microstructure complicates the use of traditional homogenization methods. The methods developed constitute considerable progress in addressing the modeling difficulties. The details of the methods and attended results obtained therefrom, are described in the various chapters included in Part 1 of the report. Specific conclusions and computer codes generated are included in Part 2 of the report.

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.

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.

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.

Experimental and model based investigation of the links between snow bidirectional reflectance and snow microstructure

NASA Astrophysics Data System (ADS)

Dumont, M.; Flin, F.; Malinka, A.; Brissaud, O.; Hagenmuller, P.; Dufour, A.; Lapalus, P.; Lesaffre, B.; Calonne, N.; Rolland du Roscoat, S.; Ando, E.

2017-12-01

Snow optical properties are unique among Earth surface and crucial for a wide range of applications. The bi-directional reflectance, hereafter BRDF, of snow is sensible to snow microstructure. However the complex interplays between different parameters of snow microstructure namely size parameters and shape parameters on reflectance are challenging to disentangle both theoretically and experimentally. An accurate understanding and modelling of snow BRDF is required to correctly process satellite data. BRDF measurements might also provide means of characterizing snow morphology. This study presents one of the very few dataset that combined bi-directional reflectance measurements over 500-2500 nm and X-ray tomography of the snow microstructure for three different snow samples and two snow types. The dataset is used to evaluate the approach from Malinka, 2014 that relates snow optical properties to the chord length distribution in the snow microstructure. For low and medium absorption, the model accurately reproduces the measurements but tends to slightly overestimate the anisotropy of the reflectance. The model indicates that the deviation of the ice chord length distribution from an exponential distribution, that can be understood as a characterization of snow types, does not impact the reflectance for such absorptions. The simulations are also impacted by the uncertainties in the ice refractive index values. At high absorption and high viewing/incident zenith angle, the simulations and the measurements disagree indicating that some of the assumptions made in the model are not met anymore. The study also indicates that crystal habits might play a significant role for the reflectance under such geometries and wavelengths. However quantitative relationship between crystal habits and reflectance alongside with potential optical methodologies to classify snow morphology would require an extended dataset over more snow types. This extended dataset can likely be obtained thanks to the use of ray tracing models on tomography images of the snow microstructure.

Modeling of Processing-Induced Pore Morphology in an Additively-Manufactured Ti-6Al-4V Alloy

PubMed Central

Kabir, Mohammad Rizviul; Richter, Henning

2017-01-01

A selective laser melting (SLM)-based, additively-manufactured Ti-6Al-4V alloy is prone to the accumulation of undesirable defects during layer-by-layer material build-up. Defects in the form of complex-shaped pores are one of the critical issues that need to be considered during the processing of this alloy. Depending on the process parameters, pores with concave or convex boundaries may occur. To exploit the full potential of additively-manufactured Ti-6Al-4V, the interdependency between the process parameters, pore morphology, and resultant mechanical properties, needs to be understood. By incorporating morphological details into numerical models for micromechanical analyses, an in-depth understanding of how these pores interact with the Ti-6Al-4V microstructure can be gained. However, available models for pore analysis lack a realistic description of both the Ti-6Al-4V grain microstructure, and the pore geometry. To overcome this, we propose a comprehensive approach for modeling and discretizing pores with complex geometry, situated in a polycrystalline microstructure. In this approach, the polycrystalline microstructure is modeled by means of Voronoi tessellations, and the complex pore geometry is approximated by strategically combining overlapping spheres of varied sizes. The proposed approach provides an elegant way to model the microstructure of SLM-processed Ti-6Al-4V containing pores or crack-like voids, and makes it possible to investigate the relationship between process parameters, pore morphology, and resultant mechanical properties in a finite-element-based simulation framework. PMID:28772504

Modeling of Processing-Induced Pore Morphology in an Additively-Manufactured Ti-6Al-4V Alloy.

PubMed

Kabir, Mohammad Rizviul; Richter, Henning

2017-02-08

A selective laser melting (SLM)-based, additively-manufactured Ti-6Al-4V alloy is prone to the accumulation of undesirable defects during layer-by-layer material build-up. Defects in the form of complex-shaped pores are one of the critical issues that need to be considered during the processing of this alloy. Depending on the process parameters, pores with concave or convex boundaries may occur. To exploit the full potential of additively-manufactured Ti-6Al-4V, the interdependency between the process parameters, pore morphology, and resultant mechanical properties, needs to be understood. By incorporating morphological details into numerical models for micromechanical analyses, an in-depth understanding of how these pores interact with the Ti-6Al-4V microstructure can be gained. However, available models for pore analysis lack a realistic description of both the Ti-6Al-4V grain microstructure, and the pore geometry. To overcome this, we propose a comprehensive approach for modeling and discretizing pores with complex geometry, situated in a polycrystalline microstructure. In this approach, the polycrystalline microstructure is modeled by means of Voronoi tessellations, and the complex pore geometry is approximated by strategically combining overlapping spheres of varied sizes. The proposed approach provides an elegant way to model the microstructure of SLM-processed Ti-6Al-4V containing pores or crack-like voids, and makes it possible to investigate the relationship between process parameters, pore morphology, and resultant mechanical properties in a finite-element-based simulation framework.

Molecular dynamics study of dual-phase microstructure of Titanium and Zirconium metals during the quenching process

NASA Astrophysics Data System (ADS)

Miyazaki, Narumasa; Sato, Kazunori; Shibutani, Yoji

Dual-phase (DP) transformation, which is composed of felite- and/or martensite- multicomponent microstructural phases, is one of the most effective tools to product functional alloys. To obtain this DP structure such as DP steels and other materials, we usually apply thermal processes such as quenching, tempering and annealing. As the transformation dynamics of DP microstructure depends on conditions of temperature, annealing time, and quenching rate, physical properties of materials are able to be tuned by controlling microstructure type, size, their interfaces and so on. In this study, to understand the behavior of DP transformation and to control physical properties of materials by tuning DP microstructures, we analyze the atomistic dynamics of DP transformation during the quenching process and the detail of DP microstructures by using the molecular dynamics simulations. As target metals of DP transformation, we focus on group 4 transition metals, such as Ti and Zr described by EAM interatomic potentials. For Ti and Zr models we perform molecular dynamics simulations by assuming melt-quenching process from 3000 K to 0 K under the isothermal-isobaric ensemble. During the process for each material, we observe liquid to HCP like transition around the melting temperature, and continuously HCP-BCC like transition around martensitic transformation temperature. Furthermore, we clearly distinguish DP microstructure for each quenched model.

General Analytical Schemes for the Characterization of Pectin-Based Edible Gelled Systems

PubMed Central

Haghighi, Maryam; Rezaei, Karamatollah

2012-01-01

Pectin-based gelled systems have gained increasing attention for the design of newly developed food products. For this reason, the characterization of such formulas is a necessity in order to present scientific data and to introduce an appropriate finished product to the industry. Various analytical techniques are available for the evaluation of the systems formulated on the basis of pectin and the designed gel. In this paper, general analytical approaches for the characterization of pectin-based gelled systems were categorized into several subsections including physicochemical analysis, visual observation, textural/rheological measurement, microstructural image characterization, and psychorheological evaluation. Three-dimensional trials to assess correlations among microstructure, texture, and taste were also discussed. Practical examples of advanced objective techniques including experimental setups for small and large deformation rheological measurements and microstructural image analysis were presented in more details. PMID:22645484

PVA/NaCl/MgO nanocomposites-microstructural analysis by whole pattern fitting method

NASA Astrophysics Data System (ADS)

Prashanth, K. S.; Mahesh, S. S.; Prakash, M. B. Nanda; Somashekar, R.; Nagabhushana, B. M.

2018-04-01

The nanofillers in the macromolecular matrix have displayed noteworthy changes in the structure and reactivity of the polymer nanocomposites. Novel functional materials usually consist of defects and are largely disordered. The intriguing properties of these materials are often attributed to defects. X-ray line profiles from powder diffraction reveal the quantitative information about size distribution and shape of diffracting domains which governs the contribution from small conventional X-ray diffraction (XRD) techniques to enumerate the microstructural information. In this study the MgO nanoparticles were prepared by solution combustion method and PVA/NaCl/MgO nanocomposite films were synthesized by the solvent cast method. Microstructural parameters viz crystal defects like stacking faults and twin faults, compositional inhomogeneity, crystallite size and lattice strain (g in %), were extracted using whole pattern fitting method.

Reactive flow modeling of small scale detonation failure experiments for a baseline non-ideal explosive

NASA Astrophysics Data System (ADS)

Kittell, David E.; Cummock, Nick R.; Son, Steven F.

2016-08-01

Small scale characterization experiments using only 1-5 g of a baseline ammonium nitrate plus fuel oil (ANFO) explosive are discussed and simulated using an ignition and growth reactive flow model. There exists a strong need for the small scale characterization of non-ideal explosives in order to adequately survey the wide parameter space in sample composition, density, and microstructure of these materials. However, it is largely unknown in the scientific community whether any useful or meaningful result may be obtained from detonation failure, and whether a minimum sample size or level of confinement exists for the experiments. In this work, it is shown that the parameters of an ignition and growth rate law may be calibrated using the small scale data, which is obtained from a 35 GHz microwave interferometer. Calibration is feasible when the samples are heavily confined and overdriven; this conclusion is supported with detailed simulation output, including pressure and reaction contours inside the ANFO samples. The resulting shock wave velocity is most likely a combined chemical-mechanical response, and simulations of these experiments require an accurate unreacted equation of state (EOS) in addition to the calibrated reaction rate. Other experiments are proposed to gain further insight into the detonation failure data, as well as to help discriminate between the role of the EOS and reaction rate in predicting the measured outcome.

Reactive flow modeling of small scale detonation failure experiments for a baseline non-ideal explosive

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

Kittell, David E.; Cummock, Nick R.; Son, Steven F.

2016-08-14

Small scale characterization experiments using only 1–5 g of a baseline ammonium nitrate plus fuel oil (ANFO) explosive are discussed and simulated using an ignition and growth reactive flow model. There exists a strong need for the small scale characterization of non-ideal explosives in order to adequately survey the wide parameter space in sample composition, density, and microstructure of these materials. However, it is largely unknown in the scientific community whether any useful or meaningful result may be obtained from detonation failure, and whether a minimum sample size or level of confinement exists for the experiments. In this work, itmore » is shown that the parameters of an ignition and growth rate law may be calibrated using the small scale data, which is obtained from a 35 GHz microwave interferometer. Calibration is feasible when the samples are heavily confined and overdriven; this conclusion is supported with detailed simulation output, including pressure and reaction contours inside the ANFO samples. The resulting shock wave velocity is most likely a combined chemical-mechanical response, and simulations of these experiments require an accurate unreacted equation of state (EOS) in addition to the calibrated reaction rate. Other experiments are proposed to gain further insight into the detonation failure data, as well as to help discriminate between the role of the EOS and reaction rate in predicting the measured outcome.« less

Creep Behavior of Oxide/Oxide Composites with Monazite Fiber Coating at 1100 deg C in Air and in Steam Environments

DTIC Science & Technology

2008-09-01

monolithic ceramics initiates at small defects formed during processing. Minimization of such defects may improve performance, but thermal shock and cyclic...fiber tows are used in CMCs, where the use of small -diameter fibers causes a reduction in scale of microstructural defects associated with the fibers [7... Small Diameter · Improves matrix strength and facilitates fab- rication of thin and complex-shaped CMCs. · Low Density · Improves CMC specific properties

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

Direct comparison of Fe-Cr unmixing characterization by atom probe tomography and small angle scattering

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

Couturier, Laurent, E-mail: laurent.couturier55@ho

The fine microstructure obtained by unmixing of a solid solution either by classical precipitation or spinodal decomposition is often characterized either by small angle scattering or atom probe tomography. This article shows that a common data analysis framework can be used to analyze data obtained from these two techniques. An example of the application of this common analysis is given for characterization of the unmixing of the Fe-Cr matrix of a 15-5 PH stainless steel during long-term ageing at 350 °C and 400 °C. A direct comparison of the Cr composition fluctuations amplitudes and characteristic lengths obtained with both techniquesmore » is made showing a quantitative agreement for the fluctuation amplitudes. The origin of the discrepancy remaining for the characteristic lengths is discussed. - Highlights: •Common analysis framework for atom probe tomography and small angle scattering •Comparison of same microstructural characteristics obtained using both techniques •Good correlation of Cr composition fluctuations amplitudes from both techniques •Good correlation of Cr composition fluctuations amplitudes with classic V parameter.« less

A small-scale anatomical dosimetry model of the liver

NASA Astrophysics Data System (ADS)

Stenvall, Anna; Larsson, Erik; Strand, Sven-Erik; Jönsson, Bo-Anders

2014-07-01

Radionuclide therapy is a growing and promising approach for treating and prolonging the lives of patients with cancer. For therapies where high activities are administered, the liver can become a dose-limiting organ; often with a complex, non-uniform activity distribution and resulting non-uniform absorbed-dose distribution. This paper therefore presents a small-scale dosimetry model for various source-target combinations within the human liver microarchitecture. Using Monte Carlo simulations, Medical Internal Radiation Dose formalism-compatible specific absorbed fractions were calculated for monoenergetic electrons; photons; alpha particles; and 125I, 90Y, 211At, 99mTc, 111In, 177Lu, 131I and 18F. S values and the ratio of local absorbed dose to the whole-organ average absorbed dose was calculated, enabling a transformation of dosimetry calculations from macro- to microstructure level. For heterogeneous activity distributions, for example uptake in Kupffer cells of radionuclides emitting low-energy electrons (125I) or high-LET alpha particles (211At) the target absorbed dose for the part of the space of Disse, closest to the source, was more than eight- and five-fold the average absorbed dose to the liver, respectively. With the increasing interest in radionuclide therapy of the liver, the presented model is an applicable tool for small-scale liver dosimetry in order to study detailed dose-effect relationships in the liver.

Quantitative analysis and feature recognition in 3-D microstructural data sets

NASA Astrophysics Data System (ADS)

Lewis, A. C.; Suh, C.; Stukowski, M.; Geltmacher, A. B.; Spanos, G.; Rajan, K.

2006-12-01

A three-dimensional (3-D) reconstruction of an austenitic stainless-steel microstructure was used as input for an image-based finite-element model to simulate the anisotropic elastic mechanical response of the microstructure. The quantitative data-mining and data-warehousing techniques used to correlate regions of high stress with critical microstructural features are discussed. Initial analysis of elastic stresses near grain boundaries due to mechanical loading revealed low overall correlation with their location in the microstructure. However, the use of data-mining and feature-tracking techniques to identify high-stress outliers revealed that many of these high-stress points are generated near grain boundaries and grain edges (triple junctions). These techniques also allowed for the differentiation between high stresses due to boundary conditions of the finite volume reconstructed, and those due to 3-D microstructural features.

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.

High-temperature deformation and microstructural analysis for Si3N4-Sc2O3

NASA Technical Reports Server (NTRS)

Cheong, Deock-Soo; Sanders, William A.

1990-01-01

It was indicated that Si3N4 doped with Sc2O3 may exhibit high temperature mechanical properties superior to Si3N4 systems with various other oxide sintered additives. High temperature deformation of samples was studied by characterizing the microstructures before and after deformation. It was found that elements of the additive, such as Sc and O, exist in small amounts at very thin grain boundary layers and most of them stay in secondary phases at triple and multiple grain boundary junctions. These secondary phases are devitrified as crystalline Sc2Si2O7. Deformation of the samples was dominated by cavitational processes rather than movements of dislocations. Thus the excellent deformation resistance of the samples at high temperature can be attributed to the very small thickness of the grain boundary layers and the crystalline secondary phase.

Effect of the microstructure on the thermoelectric properties of polycrystalline lanthanum chalcogenides

NASA Technical Reports Server (NTRS)

Lockwood, A.; Wood, C.; Vandersande, J.; Zoltan, A.; Parker, J.; Danielson, L.; Alexander, M.; Whittenberger, D.

1987-01-01

Small amounts of second phase materials can have important effects on the thermoelectric properties of polycrystalline gamma-La(3-x)X4 (X-S, Te; X in the range of 0 to 1/3). Microscopic examination by SEM of hot pressed La(3-x)Te4 samples has revealed from 1-5 vol. pct of La2O2Te, an amount which is not detected by X-ray powder diffraction measurements. This amount of La2O2Te resulting from oxygen contamination can reduce the concentration of electrons by as much as 10 to 75 percent below the electron concentration calculated for single phase La(3-x)Te4 in the composition range of greatest interest. Small amounts of second phase materials can also lower the lattice thermal conductivity by scattering low frequency phonons. These results indicate that microstructural effects should be considered when electrical and thermal properties of polycrystalline materials are analyzed.

Contribution of Small-Scale Correlated Fluctuations of Microstructural Properties of a Spatially Extended Geophysical Target Under the Assessment of Radar Backscatter

NASA Technical Reports Server (NTRS)

Yurchak, Boris S.

2010-01-01

The study of the collective effects of radar scattering from an aggregation of discrete scatterers randomly distributed in a space is important for better understanding the origin of the backscatter from spatially extended geophysical targets (SEGT). We consider the microstructure irregularities of a SEGT as the essential factor that affect radar backscatter. To evaluate their contribution this study uses the "slice" approach: particles close to the front of incident radar wave are considered to reflect incident electromagnetic wave coherently. The radar equation for a SEGT is derived. The equation includes contributions to the total backscatter from correlated small-scale fluctuations of the slice's reflectivity. The correlation contribution changes in accordance with an earlier proposed idea by Smith (1964) based on physical consideration. The slice approach applied allows parameterizing the features of the SEGT's inhomogeneities.

Small angle neutron scattering analyses and high temperature mechanical properties of nano-structured oxide dispersion strengthened steels produced via cryomilling

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

Kim, Jeoung Han; Byun, Thak Sang; Shin, Eunjoo

2015-08-17

Three oxide dispersion-strengthened (ODS) steels are produced in order to investigate the effect of the mechanical alloying (MA) temperature on the microstructural evolution and high temperature mechanical properties. The microstructural evolution with different MA conditions is examined using small angle neutron scattering. As the MA temperature decreases, the density of the nanoclusters below 10 nm increases and their mean diameter decreases. A low temperature during MA leads to a high strength in the compression tests performed at 500 *C; however, this effect disappears in testing at 900 *C. The milling process at *70 *C exhibits excellent high fracture toughness, whichmore » is better than the benchmark material 14YWT-SM10. However, the *150 *C milling process results in significantly worse fracture toughness properties. The reasons for this strong temperature dependency are discussed.« less

High-temperature deformation and microstructural analysis for silicon nitride-scandium(III) oxide

NASA Technical Reports Server (NTRS)

Cheong, Deock-Soo; Sanders, William A.

1992-01-01

It was indicated that Si3N4 doped with Sc2O3 may exhibit high temperature mechanical properties superior to Si3N4 systems with various other oxide sintered additives. High temperature deformation of samples was studied by characterizing the microstructures before and after deformation. It was found that elements of the additive, such as Sc and O, exist in small amounts at very thin grain boundary layers and most of them stay in secondary phases at tripple and multiple grain boundary junctions. These secondary phases are devitrified as crystalline Sc2Si2O7. Deformation of the samples was dominated by cavitational processes rather than movements of dislocations. Thus the excellent deformation resistance of the samples at high temperature can be attributed to the very small thickness of the grain boundary layers and the crystalline secondary phase.

Ultrathin multi-slit metamaterial as excellent sound absorber: Influence of micro-structure

NASA Astrophysics Data System (ADS)

Ren, S. W.; Meng, H.; Xin, F. X.; Lu, T. J.

2016-01-01

An ultrathin (subwavelength) hierarchy multi-slit metamaterial with simultaneous negative effective density and negative compressibility is proposed to absorb sound over a wide frequency range. Different from conventional acoustic metamaterials having only negative real parts of acoustic parameters, the imaginary parts of effective density and compressibility are both negative for the proposed metamaterial, which result in superior viscous and thermal dissipation of sound energy. By combining the slit theory of sound absorption with the double porosity theory for porous media, a theoretical model is developed to investigate the sound absorption performance of the metamaterial. To verify the model, a finite element model is established to calculate the effective density, compressibility, and sound absorption of the metamaterial. It is theoretically and numerically confirmed that, upon introducing micro-slits into the meso-slits matrix, the multi-slit metamaterial possesses indeed negative imaginary parts of effective density and compressibility. The influence of micro-slits on the acoustical performance of the metamaterial is analyzed in the context of its specific surface area and static flow resistivity. This work shows great potential of multi-slit metamaterials in noise control applications that require both small volume and small weight of sound-absorbing materials.

Microstructure design of nanoporous TiO2 photoelectrodes for dye-sensitized solar cell modules.

PubMed

Hu, Linhua; Dai, Songyuan; Weng, Jian; Xiao, Shangfeng; Sui, Yifeng; Huang, Yang; Chen, Shuanghong; Kong, Fantai; Pan, Xu; Liang, Linyun; Wang, Kongjia

2007-01-18

The optimization of dye-sensitized solar cells, especially the design of nanoporous TiO2 film microstructure, is an urgent problem for high efficiency and future commercial applications. However, up to now, little attention has been focused on the design of nanoporous TiO2 microstructure for a high efficiency of dye-sensitized solar cell modules. The optimization and design of TiO2 photoelectrode microstructure are discussed in this paper. TiO2 photoelectrodes with three different layers, including layers of small pore size films, larger pore size films, and light-scattering particles on the conducting glass with the desirable thickness, were designed and investigated. Moreover, the photovoltaic properties showed that the different porosities, pore size distribution, and BET surface area of each layer have a dramatic influence on short-circuit current, open-circuit voltage, and fill factor of the modules. The optimization and design of TiO2 photoelectrode microstructure contribute a high efficiency of DSC modules. The photoelectric conversion efficiency around 6% with 15 x 20 cm2 modules under illumination of simulated AM1.5 sunlight (100 mW/cm2) and 40 x 60 cm2 panels with the same performance tested outdoor have been achieved by our group.

[Influence on microstructure of dental zirconia ceramics prepared by two-step sintering].

PubMed

Jian, Chao; Li, Ning; Wu, Zhikai; Teng, Jing; Yan, Jiazhen

2013-10-01

To investigate the microstructure of dental zirconia ceramics prepared by two-step sintering. Nanostructured zirconia powder was dry compacted, cold isostatic pressed, and pre-sintered. The pre-sintered discs were cut processed into samples. Conventional sintering, single-step sintering, and two-step sintering were carried out, and density and grain size of the samples were measured. Afterward, T1 and/or T2 of two-step sintering ranges were measured. Effects on microstructure of different routes, which consisted of two-step sintering and conventional sintering were discussed. The influence of T1 and/or T2 on density and grain size were analyzed as well. The range of T1 was between 1450 degrees C and 1550 degrees C, and the range of T2 was between 1250 degrees C and 1350 degrees C. Compared with conventional sintering, finer microstructure of higher density and smaller grain could be obtained by two-step sintering. Grain growth was dependent on T1, whereas density was not much related with T1. However, density was dependent on T2, and grain size was minimally influenced. Two-step sintering could ensure a sintering body with high density and small grain, which is good for optimizing the microstructure of dental zirconia ceramics.

Multiscale Modeling for Linking Growth, Microstructure, and Properties of Inorganic Microporous Films

NASA Technical Reports Server (NTRS)

Vlachos, Dion G.

2002-01-01

The focus of this presentation is on multiscale modeling in order to link processing, microstructure, and properties of materials. Overview of problems we study includes: Growth mechanisms in chemical and physical vapor epitaxy; thin films of zeolites for separation and sensing; thin Pd films for hydrogen separation and pattern formation by self-regulation routes.

Advances in multi-scale modeling of solidification and casting processes

NASA Astrophysics Data System (ADS)

Liu, Baicheng; Xu, Qingyan; Jing, Tao; Shen, Houfa; Han, Zhiqiang

2011-04-01

The development of the aviation, energy and automobile industries requires an advanced integrated product/process R&D systems which could optimize the product and the process design as well. Integrated computational materials engineering (ICME) is a promising approach to fulfill this requirement and make the product and process development efficient, economic, and environmentally friendly. Advances in multi-scale modeling of solidification and casting processes, including mathematical models as well as engineering applications are presented in the paper. Dendrite morphology of magnesium and aluminum alloy of solidification process by using phase field and cellular automaton methods, mathematical models of segregation of large steel ingot, and microstructure models of unidirectionally solidified turbine blade casting are studied and discussed. In addition, some engineering case studies, including microstructure simulation of aluminum casting for automobile industry, segregation of large steel ingot for energy industry, and microstructure simulation of unidirectionally solidified turbine blade castings for aviation industry are discussed.

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.

Grain Cluster Microstructure and Grain Boundary Character Distribution in Alloy 690

NASA Astrophysics Data System (ADS)

Xia, Shuang; Zhou, Bangxin; Chen, Wenjue

2009-12-01

The effects of thermal-mechanical processing (TMP) on microstructure evolution during recrystallization and grain boundary character distribution (GBCD) in aged Alloy 690 were investigated by the electron backscatter diffraction (EBSD) technique and optical microscopy. The original grain boundaries of the deformed microstructure did not play an important role in the manipulation of the proportion of the Σ3 n ( n = 1, 2, 3…) type boundaries. Instead, the grain cluster formed by multiple twinning starting from a single nucleus during recrystallization was the key microstructural feature affecting the GBCD. All of the grains in this kind of cluster had Σ3 n mutual misorientations regardless of whether they were adjacent. A large grain cluster containing 91 grains was found in the sample after a small-strain (5 pct) and a high-temperature (1100 °C) recrystallization anneal, and twin relationships up to the ninth generation (Σ39) were found in this cluster. The ratio of cluster size over grain size (including all types of boundaries as defining individual grains) dictated the proportion of Σ3 n boundaries.

Superhydrophobic surfaces fabricated by femtosecond laser with tunable water adhesion: from lotus leaf to rose petal.

PubMed

Long, Jiangyou; Fan, Peixun; Gong, Dingwei; Jiang, Dafa; Zhang, Hongjun; Li, Lin; Zhong, Minlin

2015-05-13

Superhydrophobic surfaces with tunable water adhesion have attracted much interest in fundamental research and practical applications. In this paper, we used a simple method to fabricate superhydrophobic surfaces with tunable water adhesion. Periodic microstructures with different topographies were fabricated on copper surface via femtosecond (fs) laser irradiation. The topography of these microstructures can be controlled by simply changing the scanning speed of the laser beam. After surface chemical modification, these as-prepared surfaces showed superhydrophobicity combined with different adhesion to water. Surfaces with deep microstructures showed self-cleaning properties with extremely low water adhesion, and the water adhesion increased when the surface microstructures became flat. The changes in surface water adhesion are attributed to the transition from Cassie state to Wenzel state. We also demonstrated that these superhydrophobic surfaces with different adhesion can be used for transferring small water droplets without any loss. We demonstrate that our approach provides a novel but simple way to tune the surface adhesion of superhydrophobic metallic surfaces for good potential applications in related areas.

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.

Small-scale shear measurements during the Fine and Microstructure Experiment (Fame)

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

Gargett, A.E.; Osborn, T.R.

1981-03-20

The turbulent kinetic energy dissipation rate e is estimated from measurements of small-scale shear taken with a vertical profiler during the Fine and Microstructure Experiment (Fame). Typical profiles of e are presented for the different oceanographic regions sampled, the Gulf Stream, a mid-Sargasso site, and locations withoutin and with the 100 fathom (approx.2000 m) contour about the island of Bermuda. Heavily averaged values of e are presented as a funtion of mean Vaeisaela frequency N-bar, a fundamental scaling parameter for the oceanic internal wave field. A dependence of e-barproportionalN-bar is found for an ensemble of stations near Bermuda: functional dependencemore » for an ensemble of stations at the mid-Sargasso site is less clear, with results exhibiting an undersirable sensitivity to infrequent large events. Dissipation is found to increase as the island of Bermuda is approached from any direction: the density of measurements is insufficient to determine any azimuthal variation resulting from the anisotropic mean flow field about the island at the time. A set of three profiles across the Gulf Stream suggests that this is not a region of abnormally high dissipation, a conclusion supported by previous and concurrent measurements of temperature finestructure and microstructure.« less

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.

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

Numerical Study of Variation of Mechanical Properties of a Binary Aluminum Alloy with Respect to Its Grain Shapes †

PubMed Central

Sharifi, Hamid; Larouche, Daniel

2014-01-01

To study the variation of the mechanical behavior of binary aluminum copper alloys with respect to their microstructure, a numerical simulation of their granular structure was carried out. The microstructures are created by a repeated inclusion of some predefined basic grain shapes into a representative volume element until reaching a given volume percentage of the α-phase. Depending on the grain orientations, the coalescence of the grains can be performed. Different granular microstructures are created by using different basic grain shapes. Selecting a suitable set of basic grain shapes, the modeled microstructure exhibits a realistic aluminum alloy microstructure which can be adapted to a particular cooling condition. Our granular models are automatically converted to a finite element model. The effect of grain shapes and sizes on the variation of elastic modulus and plasticity of such a heterogeneous domain was investigated. Our results show that for a given α-phase fraction having different grain shapes and sizes, the elastic moduli and yield stresses are almost the same but the ultimate stress and elongation are more affected. Besides, we realized that the distribution of the θ phases inside the α phases is more important than the grain shape itself. PMID:28788607

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.

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

PDF-based heterogeneous multiscale filtration model.

PubMed

Gong, Jian; Rutland, Christopher J

2015-04-21

Motivated by modeling of gasoline particulate filters (GPFs), a probability density function (PDF) based heterogeneous multiscale filtration (HMF) model is developed to calculate filtration efficiency of clean particulate filters. A new methodology based on statistical theory and classic filtration theory is developed in the HMF model. Based on the analysis of experimental porosimetry data, a pore size probability density function is introduced to represent heterogeneity and multiscale characteristics of the porous wall. The filtration efficiency of a filter can be calculated as the sum of the contributions of individual collectors. The resulting HMF model overcomes the limitations of classic mean filtration models which rely on tuning of the mean collector size. Sensitivity analysis shows that the HMF model recovers the classical mean model when the pore size variance is very small. The HMF model is validated by fundamental filtration experimental data from different scales of filter samples. The model shows a good agreement with experimental data at various operating conditions. The effects of the microstructure of filters on filtration efficiency as well as the most penetrating particle size are correctly predicted by the model.

Multiscale optical imaging of rare-earth-doped nanocomposites in a small animal model.

PubMed

Higgins, Laura M; Ganapathy, Vidya; Kantamneni, Harini; Zhao, Xinyu; Sheng, Yang; Tan, Mei-Chee; Roth, Charles M; Riman, Richard E; Moghe, Prabhas V; Pierce, Mark C

2018-03-01

Rare-earth-doped nanocomposites have appealing optical properties for use as biomedical contrast agents, but few systems exist for imaging these materials. We describe the design and characterization of (i) a preclinical system for whole animal in vivo imaging and (ii) an integrated optical coherence tomography/confocal microscopy system for high-resolution imaging of ex vivo tissues. We demonstrate these systems by administering erbium-doped nanocomposites to a murine model of metastatic breast cancer. Short-wave infrared emissions were detected in vivo and in whole organ imaging ex vivo. Visible upconversion emissions and tissue autofluorescence were imaged in biopsy specimens, alongside optical coherence tomography imaging of tissue microstructure. We anticipate that this work will provide guidance for researchers seeking to image these nanomaterials across a wide range of biological models. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Copper Refinement from Anode to Cathode and then to Wire Rod: Effects of Impurities on Recrystallization Kinetics and Wire Ductility.

PubMed

Helbert, Anne-Laure; Moya, Alice; Jil, Tomas; Andrieux, Michel; Ignat, Michel; Brisset, François; Baudin, Thierry

2015-10-01

In this paper, the traceability of copper from the anode to the cathode and then the wire rod has been studied in terms of impurity content, microstructure, texture, recrystallization kinetics, and ductility. These characterizations were obtained based on secondary ion mass spectrometry, differential scanning calorimetry (DSC), X-ray diffraction, HV hardness, and electron backscattered diffraction. It is shown that the recrystallization was delayed by the total amount of impurities. From tensile tests performed on cold drawn and subsequently annealed wires for a given time, a simplified model has been developed to link tensile elongation to the chemical composition. This model allowed quantification of the contribution of some additional elements, present in small quantity, on the recrystallization kinetics. The proposed model adjusted for the cold-drawn wires was also validated on both the cathode and wire rod used for the study of traceability.

Effects of Long Term Thermal Exposure on Chemically Pure (CP) Titanium Grade 2 Room Temperature Tensile Properties and Microstructure

NASA Technical Reports Server (NTRS)

Ellis, David L.

2007-01-01

Room temperature tensile testing of Chemically Pure (CP) Titanium Grade 2 was conducted for as-received commercially produced sheet and following thermal exposure at 550 and 650 K for times up to 5,000 h. No significant changes in microstructure or failure mechanism were observed. A statistical analysis of the data was performed. Small statistical differences were found, but all properties were well above minimum values for CP Ti Grade 2 as defined by ASTM standards and likely would fall within normal variation of the material.

Simulation of mixture microstructures via particle packing models and their direct comparison with real mixtures

NASA Astrophysics Data System (ADS)

Gulliver, Eric A.

The objective of this thesis to identify and develop techniques providing direct comparison between simulated and real packed particle mixture microstructures containing submicron-sized particles. This entailed devising techniques for simulating powder mixtures, producing real mixtures with known powder characteristics, sectioning real mixtures, interrogating mixture cross-sections, evaluating and quantifying the mixture interrogation process and for comparing interrogation results between mixtures. A drop and roll-type particle-packing model was used to generate simulations of random mixtures. The simulated mixtures were then evaluated to establish that they were not segregated and free from gross defects. A powder processing protocol was established to provide real mixtures for direct comparison and for use in evaluating the simulation. The powder processing protocol was designed to minimize differences between measured particle size distributions and the particle size distributions in the mixture. A sectioning technique was developed that was capable of producing distortion free cross-sections of fine scale particulate mixtures. Tessellation analysis was used to interrogate mixture cross sections and statistical quality control charts were used to evaluate different types of tessellation analysis and to establish the importance of differences between simulated and real mixtures. The particle-packing program generated crescent shaped pores below large particles but realistic looking mixture microstructures otherwise. Focused ion beam milling was the only technique capable of sectioning particle compacts in a manner suitable for stereological analysis. Johnson-Mehl and Voronoi tessellation of the same cross-sections produced tessellation tiles with different the-area populations. Control charts analysis showed Johnson-Mehl tessellation measurements are superior to Voronoi tessellation measurements for detecting variations in mixture microstructure, such as altered particle-size distributions or mixture composition. Control charts based on tessellation measurements were used for direct, quantitative comparisons between real and simulated mixtures. Four sets of simulated and real mixtures were examined. Data from real mixture was matched with simulated data when the samples were well mixed and the particle size distributions and volume fractions of the components were identical. Analysis of mixture components that occupied less than approximately 10 vol% of the mixture was not practical unless the particle size of the component was extremely small and excellent quality high-resolution compositional micrographs of the real sample are available. These methods of analysis should allow future researchers to systematically evaluate and predict the impact and importance of variables such as component volume fraction and component particle size distribution as they pertain to the uniformity of powder mixture microstructures.

Direct handling of sharp interfacial energy for microstructural evolution

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

Hernández–Rivera, Efraín; Tikare, Veena; Noirot, Laurence

In this study, we introduce a simplification to the previously demonstrated hybrid Potts–phase field (hPPF), which relates interfacial energies to microstructural sharp interfaces. The model defines interfacial energy by a Potts-like discrete interface approach of counting unlike neighbors, which we use to compute local curvature. The model is compared to the hPPF by studying interfacial characteristics and grain growth behavior. The models give virtually identical results, while the new model allows the simulator more direct control of interfacial energy.

Direct handling of sharp interfacial energy for microstructural evolution

DOE PAGES

Hernández–Rivera, Efraín; Tikare, Veena; Noirot, Laurence; ...

2014-08-24

In this study, we introduce a simplification to the previously demonstrated hybrid Potts–phase field (hPPF), which relates interfacial energies to microstructural sharp interfaces. The model defines interfacial energy by a Potts-like discrete interface approach of counting unlike neighbors, which we use to compute local curvature. The model is compared to the hPPF by studying interfacial characteristics and grain growth behavior. The models give virtually identical results, while the new model allows the simulator more direct control of interfacial energy.

Viscous damping and spring force calculation of regularly perforated MEMS microstructures in the Stokes' approximation

PubMed Central

Homentcovschi, Dorel; Murray, Bruce T.; Miles, Ronald N.

2013-01-01

There are a number of applications for microstructure devices consisting of a regular pattern of perforations, and many of these utilize fluid damping. For the analysis of viscous damping and for calculating the spring force in some cases, it is possible to take advantage of the regular hole pattern by assuming periodicity. Here a model is developed to determine these quantities based on the solution of the Stokes' equations for the air flow. Viscous damping is directly related to thermal-mechanical noise. As a result, the design of perforated microstructures with minimal viscous damping is of real practical importance. A method is developed to calculate the damping coefficient in microstructures with periodic perforations. The result can be used to minimize squeeze film damping. Since micromachined devices have finite dimensions, the periodic model for the perforated microstructure has to be associated with the calculation of some frame (edge) corrections. Analysis of the edge corrections has also been performed. Results from analytical formulas and numerical simulations match very well with published measured data. PMID:24058267

Kinetics of Sub-Micron Grain Size Refinement in 9310 Steel

NASA Astrophysics Data System (ADS)

Kozmel, Thomas; Chen, Edward Y.; Chen, Charlie C.; Tin, Sammy

2014-05-01

Recent efforts have focused on the development of novel manufacturing processes capable of producing microstructures dominated by sub-micron grains. For structural applications, grain refinement has been shown to enhance mechanical properties such as strength, fatigue resistance, and fracture toughness. Through control of the thermo-mechanical processing parameters, dynamic recrystallization mechanisms were used to produce microstructures consisting of sub-micron grains in 9310 steel. Starting with initial bainitic grain sizes of 40 to 50 μm, various levels of grain refinement were observed following hot deformation of 9310 steel samples at temperatures and strain rates ranging from 755 K to 922 K (482 °C and 649 °C) and 1 to 0.001/s, respectively. The resulting deformation microstructures were characterized using scanning electron microscopy and electron backscatter diffraction techniques to quantify the extent of carbide coarsening and grain refinement occurring during deformation. Microstructural models based on the Zener-Holloman parameter were developed and modified to include the effect of the ferrite/carbide interactions within the system. These models were shown to effectively correlate microstructural attributes to the thermal mechanical processing parameters.

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.

Viscous damping and spring force calculation of regularly perforated MEMS microstructures in the Stokes' approximation.

PubMed

Homentcovschi, Dorel; Murray, Bruce T; Miles, Ronald N

2013-10-15

There are a number of applications for microstructure devices consisting of a regular pattern of perforations, and many of these utilize fluid damping. For the analysis of viscous damping and for calculating the spring force in some cases, it is possible to take advantage of the regular hole pattern by assuming periodicity. Here a model is developed to determine these quantities based on the solution of the Stokes' equations for the air flow. Viscous damping is directly related to thermal-mechanical noise. As a result, the design of perforated microstructures with minimal viscous damping is of real practical importance. A method is developed to calculate the damping coefficient in microstructures with periodic perforations. The result can be used to minimize squeeze film damping. Since micromachined devices have finite dimensions, the periodic model for the perforated microstructure has to be associated with the calculation of some frame (edge) corrections. Analysis of the edge corrections has also been performed. Results from analytical formulas and numerical simulations match very well with published measured data.

Effect of microstructure on the elasto-viscoplastic deformation of dual phase titanium structures

NASA Astrophysics Data System (ADS)

Ozturk, Tugce; Rollett, Anthony D.

2018-02-01

The present study is devoted to the creation of a process-structure-property database for dual phase titanium alloys, through a synthetic microstructure generation method and a mesh-free fast Fourier transform based micromechanical model that operates on a discretized image of the microstructure. A sensitivity analysis is performed as a precursor to determine the statistically representative volume element size for creating 3D synthetic microstructures based on additively manufactured Ti-6Al-4V characteristics, which are further modified to expand the database for features of interest, e.g., lath thickness. Sets of titanium hardening parameters are extracted from literature, and The relative effect of the chosen microstructural features is quantified through comparisons of average and local field distributions.

Evaluation of crack-tip stress fields on microstructural-scale fracture in Al-Al2O3 interpenetrating network composites

Treesearch

Robert J. Moon; Mark Hoffman; Jurgen Rödel; Shigemi Tochino; Giuseppe Pezzotti

2009-01-01

The influence of local microstructure on the fracture process at the crack tip in a ceramic–metal composite was assessed by comparing the measured stress at a microstructural level and analogous finite element modelling (FEM). Fluorescence microprobe spectroscopy was used to investigate the influence of near-crack-tip stress fields on the resulting crack propagation at...

Two-Dimensional Nonlinear Finite Element Analysis of CMC Microstructures

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Goldberg, Robert K.; Bonacuse, Peter J.

2012-01-01

A research program has been developed to quantify the effects of the microstructure of a woven ceramic matrix composite and its variability on the effective properties and response of the material. In order to characterize and quantify the variations in the microstructure of a five harness satin weave, chemical vapor infiltrated (CVI) SiC/SiC composite material, specimens were serially sectioned and polished to capture images that detailed the fiber tows, matrix, and porosity. Open source quantitative image analysis tools were then used to isolate the constituents, from which two dimensional finite element models were generated which approximated the actual specimen section geometry. A simplified elastic-plastic model, wherein all stress above yield is redistributed to lower stress regions, is used to approximate the progressive damage behavior for each of the composite constituents. Finite element analyses under in-plane tensile loading were performed to examine how the variability in the local microstructure affected the macroscopic stress-strain response of the material as well as the local initiation and progression of damage. The macroscopic stress-strain response appeared to be minimally affected by the variation in local microstructure, but the locations where damage initiated and propagated appeared to be linked to specific aspects of the local microstructure.

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.

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.

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.

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.

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.

Enhanced Coalescence-Induced Droplet-Jumping on Nanostructured Superhydrophobic Surfaces in the Absence of Microstructures.

PubMed

Zhang, Peng; Maeda, Yota; Lv, Fengyong; Takata, Yasuyuki; Orejon, Daniel

2017-10-11

Superhydrophobic surfaces are receiving increasing attention due to the enhanced condensation heat transfer, self-cleaning, and anti-icing properties by easing droplet self-removal. Despite the extensive research carried out on this topic, the presence or absence of microstructures on droplet adhesion during condensation has not been fully addressed yet. In this work we, therefore, study the condensation behavior on engineered superhydrophobic copper oxide surfaces with different structural finishes. More specifically, we investigate the coalescence-induced droplet-jumping performance on superhydrophobic surfaces with structures varying from the micro- to the nanoscale. The different structural roughness is possible due to the specific etching parameters adopted during the facile low-cost dual-scale fabrication process. A custom-built optical microscopy setup inside a temperature and relative humidity controlled environmental chamber was used for the experimental observations. By varying the structural roughness, from the micro- to the nanoscale, important differences on the number of droplets involved in the jumps, on the frequency of the jumps, and on the size distribution of the jumping droplets were found. In the absence of microstructures, we report an enhancement of the droplet-jumping performance of small droplets with sizes in the same order of magnitude as the microstructures. Microstructures induce further droplet adhesion, act as a structural barrier for the coalescence between droplets growing on the same microstructure, and cause the droplet angular deviation from the main surface normal. As a consequence, upon coalescence, there is a decrease in the net momentum in the out-of-plane direction, and the jump does not ensue. We demonstrate that the absence of microstructures has therefore a positive impact on the coalescence-induced droplet-jumping of micrometer droplets for antifogging, anti-icing, and condensation heat transfer applications.

Effects of fatty acids composition and microstructure properties of fats and oils on textural properties of dough and cookie quality.

PubMed

Devi, Amita; Khatkar, B S

2018-01-01

This study was carried out to investigate the effect of fatty acid composition and microstructure properties of fats and oils on the textural properties of cookie dough and quality attributes of cookies. Fatty acid composition and microstructure properties of six fats and oils (butter, hydrogenated fat, palm oil, coconut oil, groundnut oil, and sunflower oil) were analyzed. Sunflower oil was found to be the most unsaturated oil with 88.39% unsaturated fatty acid content. Coconut oil and palm oil differed from other fats and oils by having an appreciable amount of lauric acid (59.36%) and palmitic acid (42.14%), respectively. Microstructure size of all fats and oils ranged from 1 to 20 μm being the largest for coconut oil and the smallest for palm oil. In palm oil, small rod-shaped and randomly arranged microstructures were observed, whereas sunflower oil and groundnut oil possessed large, scattered ovule shaped microstructures. It was reported that sunflower oil produced the softest dough, the largest cookie spread and the hardest cookie texture, whereas hydrogenated fat produced the stiffest dough, the lowest spread and most tender cookies. Statistical analysis depicted that palmitic acid and oleic acid demonstrated a positive correlation with dough hardness. Linoleic acid exhibited positive link with cookie spread ratio (r = 0.836**) and breaking strength (r = 0.792**). Microstructure size showed a significant positive relationship with dough density (r = 0.792**), cookie density (r = 0.386*), spread ratio (r = 0.312*), and breaking strength (r = 0.303*).

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.

High-Resolution Characterization of UMo Alloy Microstructure

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

Devaraj, Arun; Kovarik, Libor; Joshi, Vineet V.

2016-11-30

This report highlights the capabilities and procedure for high-resolution characterization of UMo fuels in PNNL. Uranium-molybdenum (UMo) fuel processing steps, from casting to forming final fuel, directly affect the microstructure of the fuel, which in turn dictates the in-reactor performance of the fuel under irradiation. In order to understand the influence of processing on UMo microstructure, microstructure characterization techniques are necessary. Higher-resolution characterization techniques like transmission electron microscopy (TEM) and atom probe tomography (APT) are needed to interrogate the details of the microstructure. The findings from TEM and APT are also directly beneficial for developing predictive multiscale modeling tools thatmore » can predict the microstructure as a function of process parameters. This report provides background on focused-ion-beam–based TEM and APT sample preparation, TEM and APT analysis procedures, and the unique information achievable through such advanced characterization capabilities for UMo fuels, from a fuel fabrication capability viewpoint.« less

Discrete microstructural cues for the attenuation of fibrosis following myocardial infarction.

PubMed

Pinney, James R; Du, Kim T; Ayala, Perla; Fang, Qizhi; Sievers, Richard E; Chew, Patrick; Delrosario, Lawrence; Lee, Randall J; Desai, Tejal A

2014-10-01

Chronic fibrosis caused by acute myocardial infarction (MI) leads to increased morbidity and mortality due to cardiac dysfunction. We have developed a therapeutic materials strategy that aims to mitigate myocardial fibrosis by utilizing injectable polymeric microstructures to mechanically alter the microenvironment. Polymeric microstructures were fabricated using photolithographic techniques and studied in a three-dimensional culture model of the fibrotic environment and by direct injection into the infarct zone of adult rats. Here, we show dose-dependent down-regulation of expression of genes associated with the mechanical fibrotic response in the presence of microstructures. Injection of this microstructured material into the infarct zone decreased levels of collagen and TGF-β, increased elastin deposition and vascularization in the infarcted region, and improved functional outcomes after six weeks. Our results demonstrate the efficacy of these discrete anti-fibrotic microstructures and suggest a potential therapeutic materials approach for combatting pathologic fibrosis. Copyright © 2014 Elsevier Ltd. All rights reserved.

On the macroscopic modeling of dilute emulsions under flow in the presence of particle inertia

NASA Astrophysics Data System (ADS)

Mwasame, Paul M.; Wagner, Norman J.; Beris, Antony N.

2018-03-01

Recently, Mwasame et al. ["On the macroscopic modeling of dilute emulsions under flow," J. Fluid Mech. 831, 433 (2017)] developed a macroscopic model for the dynamics and rheology of a dilute emulsion with droplet morphology in the limit of negligible particle inertia using the bracket formulation of non-equilibrium thermodynamics of Beris and Edwards [Thermodynamics of Flowing Systems: With Internal Microstructure (Oxford University Press on Demand, 1994)]. Here, we improve upon that work to also account for particle inertia effects. This advance is facilitated by using the bracket formalism in its inertial form that allows for the natural incorporation of particle inertia effects into macroscopic level constitutive equations, while preserving consistency to the previous inertialess approximation in the limit of zero inertia. The parameters in the resultant Particle Inertia Thermodynamically Consistent Ellipsoidal Emulsion (PITCEE) model are selected by utilizing literature-available mesoscopic theory for the rheology at small capillary and particle Reynolds numbers. At steady state, the lowest level particle inertia effects can be described by including an additional non-affine inertial term into the evolution equation for the conformation tensor, thereby generalizing the Gordon-Schowalter time derivative. This additional term couples the conformation and vorticity tensors and is a function of the Ohnesorge number. The rheological and microstructural predictions arising from the PITCEE model are compared against steady-shear simulation results from the literature. They show a change in the signs of the normal stress differences that is accompanied by a change in the orientation of the major axis of the emulsion droplet toward the velocity gradient direction with increasing Reynolds number, capturing the two main signatures of particle inertia reported in simulations.

A damage analysis for brittle materials using stochastic micro-structural information

NASA Astrophysics Data System (ADS)

Lin, Shih-Po; Chen, Jiun-Shyan; Liang, Shixue

2016-03-01

In this work, a micro-crack informed stochastic damage analysis is performed to consider the failures of material with stochastic microstructure. The derivation of the damage evolution law is based on the Helmholtz free energy equivalence between cracked microstructure and homogenized continuum. The damage model is constructed under the stochastic representative volume element (SRVE) framework. The characteristics of SRVE used in the construction of the stochastic damage model have been investigated based on the principle of the minimum potential energy. The mesh dependency issue has been addressed by introducing a scaling law into the damage evolution equation. The proposed methods are then validated through the comparison between numerical simulations and experimental observations of a high strength concrete. It is observed that the standard deviation of porosity in the microstructures has stronger effect on the damage states and the peak stresses than its effect on the Young's and shear moduli in the macro-scale responses.

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.

A crystal plasticity-based study of the relationship between microstructure and ultra-high-cycle fatigue life in nickel titanium alloys

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

Moore, John A.; Frankel, Dana; Prasannavenkatesan, Rajesh

Nickel Titanium (NiTi) alloys are often used in biomedical devices where failure due to mechanical fatigue is common. For other alloy systems, computational models have proven an effective means of determining the relationship between microstructural features and fatigue life. This work will extend the subset of those models which were based on crystal plasticity to examine the relationship between microstructure and fatigue life in NiTi alloys. It will explore the interaction between a spherical inclusion and the material’s free surface along with several NiTi microstructures reconstructed from 3D imaging. This work will determine the distance at which the free surfacemore » interacts with an inclusion and the effect of applied strain of surface-inclusion interaction. The effects of inclusion-inclusion interaction, matrix voiding, and matrix strengthening are explored and ranked with regards to their influence on fatigue life.« less

A crystal plasticity-based study of the relationship between microstructure and ultra-high-cycle fatigue life in nickel titanium alloys

DOE PAGES

Moore, John A.; Frankel, Dana; Prasannavenkatesan, Rajesh; ...

2016-06-06

Nickel Titanium (NiTi) alloys are often used in biomedical devices where failure due to mechanical fatigue is common. For other alloy systems, computational models have proven an effective means of determining the relationship between microstructural features and fatigue life. This work will extend the subset of those models which were based on crystal plasticity to examine the relationship between microstructure and fatigue life in NiTi alloys. It will explore the interaction between a spherical inclusion and the material’s free surface along with several NiTi microstructures reconstructed from 3D imaging. This work will determine the distance at which the free surfacemore » interacts with an inclusion and the effect of applied strain of surface-inclusion interaction. The effects of inclusion-inclusion interaction, matrix voiding, and matrix strengthening are explored and ranked with regards to their influence on fatigue life.« less

Modeling of Damage Initiation and Progression in a SiC/SiC Woven Ceramic Matrix Composite

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Goldberg, Robert K.; Bonacuse, Peter J.

2012-01-01

The goal of an ongoing project at NASA Glenn is to investigate the effects of the complex microstructure of a woven ceramic matrix composite and its variability on the effective properties and the durability of the material. Detailed analysis of these complex microstructures may provide clues for the material scientists who `design the material? or to structural analysts and designers who `design with the material? regarding damage initiation and damage propagation. A model material system, specifically a five-harness satin weave architecture CVI SiC/SiC composite composed of Sylramic-iBN fibers and a SiC matrix, has been analyzed. Specimens of the material were serially sectioned and polished to capture the detailed images of fiber tows, matrix and porosity. Open source analysis tools were used to isolate various constituents and finite elements models were then generated from simplified models of those images. Detailed finite element analyses were performed that examine how the variability in the local microstructure affected the macroscopic behavior as well as the local damage initiation and progression. Results indicate that the locations where damage initiated and propagated is linked to specific microstructural features.

Additive Manufacturing of IN100 Superalloy Through Scanning Laser Epitaxy for Turbine Engine Hot-Section Component Repair: Process Development, Modeling, Microstructural Characterization, and Process Control

NASA Astrophysics Data System (ADS)

Acharya, Ranadip; Das, Suman

2015-09-01

This article describes additive manufacturing (AM) of IN100, a high gamma-prime nickel-based superalloy, through scanning laser epitaxy (SLE), aimed at the creation of thick deposits onto like-chemistry substrates for enabling repair of turbine engine hot-section components. SLE is a metal powder bed-based laser AM technology developed for nickel-base superalloys with equiaxed, directionally solidified, and single-crystal microstructural morphologies. Here, we combine process modeling, statistical design-of-experiments (DoE), and microstructural characterization to demonstrate fully metallurgically bonded, crack-free and dense deposits exceeding 1000 μm of SLE-processed IN100 powder onto IN100 cast substrates produced in a single pass. A combined thermal-fluid flow-solidification model of the SLE process compliments DoE-based process development. A customized quantitative metallography technique analyzes digital cross-sectional micrographs and extracts various microstructural parameters, enabling process model validation and process parameter optimization. Microindentation measurements show an increase in the hardness by 10 pct in the deposit region compared to the cast substrate due to microstructural refinement. The results illustrate one of the very few successes reported for the crack-free deposition of IN100, a notoriously "non-weldable" hot-section alloy, thus establishing the potential of SLE as an AM method suitable for hot-section component repair and for future new-make components in high gamma-prime containing crack-prone nickel-based superalloys.

Hardness and Microstructure of Binary and Ternary Nitinol Compounds

NASA Technical Reports Server (NTRS)

Stanford, Malcolm K.

2016-01-01

The hardness and microstructure of twenty-six binary and ternary Nitinol (nickel titanium, nickel titanium hafnium, nickel titanium zirconium and nickel titanium tantalum) compounds were studied. A small (50g) ingot of each compound was produced by vacuum arc remelting. Each ingot was homogenized in vacuum for 48 hr followed by furnace cooling. Specimens from the ingots were then heat treated at 800, 900, 1000 or 1100 degree C for 2 hr followed by water quenching. The hardness and microstructure of each specimen was compared to the baseline material (55-Nitinol, 55 at.% nickel - 45 at.% titanium, after heat treatment at 900 degC). The results show that eleven of the studied compounds had higher hardness values than the baseline material. Moreover, twelve of the studied compounds had measured hardness values greater 600HV at heat treatments from 800 to 900 degree C.

Fatigue Damage Assessment Leveraging Nondestructive Evaluation Data

NASA Astrophysics Data System (ADS)

Mazur, K.; Wisner, B.; Kontsos, A.

2018-05-01

Fatigue in materials depends on several microstructural parameters. The length and time scales involved in such processes have been investigated by characterization methods that target microstructural effects or that rely on specimen-level observations. Combinations of in situ and ex situ techniques are also used to correlate microstructural changes to bulk properties. We present herein an effort to directly link local changes with specimen-level fatigue damage assessment. To achieve this goal, grain-scale observations in an aluminum alloy are linked with deformation measurements made by digital image correlation and with acoustic emission monitoring obtained from inside the scanning electron microscope. Damage assessment is attempted using a data-processing framework that involves noise removal, data reduction, and classification. The results demonstrate that nondestructive evaluation combined with small-scale testing can provide a means for fatigue damage assessment applicable to a broad range of materials and testing conditions.

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

Xu, Pei-quan; Li, Leijun, E-mail: leijun.li@ualberta.ca; Zhang, Chunbo

The as-welded microstructure of laser-welded Ti-6Al-4V is characterized as a function of CO2 key-hole mode laser welding speed. Martensitic α′ is the predominant phase, with some α and retained β. Phase transformation is affected by the cooling rate through laser welding speed. A higher welding speed of 1.6 to 2.0 m/min produced more martensite α′ and less retained β in the welds. 1.4 m/min welding speed produced small amounts of α, besides the martensite α′. A trace of δ titanium hydride phase seems to have formed in the weld fusion zone. Moiré fringes are a common feature in the TEMmore » microstructure, due to abundance of multi-phase interfaces. Tensile twins and clusters of dislocations indicate that plastic deformation has happened in the as-welded microstructure, indicating the local stress levels to be approaching the yield stress on-cooling during laser welding.« less

The effect of forging history on the strength and microstructure of TDNiCr /Ni-20Cr-2ThO2/

NASA Technical Reports Server (NTRS)

Filippi, A. M.

1975-01-01

Forging variables were evaluated to determine their influence on the elevated temperature strength and microstructure of TDNiCr. Grain size was the principal microstructural feature related to elevated temperature strength and was controlled primarily by the thermomechanical variables of forging temperature and final annealing condition. Tests at 1366 K revealed a factor of eight increase in tensile strength as grain size increased from 1 to 150 microns, while stress-rupture strength improved by three to five times as grain size increased from 15 to 150 microns. Forged material of grain size greater than or equal to about 150 microns displayed a level of elevated temperature strength comparable to that of optimized TDNiCr sheet. The presence of a preponderance of small twins and a strong preferred orientation may have also been factors contributing to the excellent high temperature strength of large grain forged material.

Effect of holding pressure on microstructure and fracture behavior of low-pressure die cast A356-T6 alloy

NASA Astrophysics Data System (ADS)

Wu, Xiaoyan; Yun, Ying; Zhang, Huarui; Ma, Zhen; Jia, Lina; Tao, Tongxiang; Zhang, Hu

2017-12-01

The effect of different holding pressures on microstructure, tensile properties and fracture behavior of A356-T6 aluminum alloy was investigated. It was observed that the ultimate strength, yield strength and elongation of A356-T6 aluminum alloy increased with the increasing of holding pressure from 85 kPa to 300 kPa. This was attributed to the finer microstructure and the elimination of porosity defects caused by high holding pressure. The fractographs of specimens obtained under lower holding pressure displayed mixed quasi-cleavage and dimple type morphology with flat dimples and large amount of porosities. However, the fractographs of specimens obtained under high holding pressure of 300 kPa clearly exhibited a dimple morphology with small and deep dimples. The differences in the tensile fracture were attributed to the different shape of eutectic Si particle and different amount of porosity defects.

Direct three-dimensional observation of the microstructure and chemistry of C{sub 3}S hydration

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

Hu, Qinang; Aboustait, Mohammed; Kim, Taehwan

Disagreements about the mechanisms of cement hydration remain despite the fact that portland cement has been studied extensively for over 100 years. One reason for this is that direct observation of the change in microstructure and chemistry are challenging for many experimental techniques. This paper presents results from synchrotron nano X-ray tomography and fluorescence imaging. The data show unprecedented direct observations of small collections of C{sub 3}S particles before and after different periods of hydration in 15 mmol/L lime solution. X-ray absorption contrast is used to make three dimensional maps of the changes of these materials with time. The chemicalmore » compositions of hydration products are then identified with X-ray fluorescence mapping and scanning electron microscopy. These experiments are used to provide insight into the rate and morphology of the microstructure formation.« 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 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

Influence of Tissue Microstructure on Shear Wave Speed Measurements in Plane Shear Wave Elastography: A Computational Study in Lossless Fibrotic Liver Media.

PubMed

Wang, Yu; Jiang, Jingfeng

2018-01-01

Shear wave elastography (SWE) has been used to measure viscoelastic properties for characterization of fibrotic livers. In this technique, external mechanical vibrations or acoustic radiation forces are first transmitted to the tissue being imaged to induce shear waves. Ultrasonically measured displacement/velocity is then utilized to obtain elastographic measurements related to shear wave propagation. Using an open-source wave simulator, k-Wave, we conducted a case study of the relationship between plane shear wave measurements and the microstructure of fibrotic liver tissues. Particularly, three different virtual tissue models (i.e., a histology-based model, a statistics-based model, and a simple inclusion model) were used to represent underlying microstructures of fibrotic liver tissues. We found underlying microstructures affected the estimated mean group shear wave speed (SWS) under the plane shear wave assumption by as much as 56%. Also, the elastic shear wave scattering resulted in frequency-dependent attenuation coefficients and introduced changes in the estimated group SWS. Similarly, the slope of group SWS changes with respect to the excitation frequency differed as much as 78% among three models investigated. This new finding may motivate further studies examining how elastic scattering may contribute to frequency-dependent shear wave dispersion and attenuation in biological tissues.

Macro and micro analysis of small molecule diffusion in amorphous polymers

NASA Astrophysics Data System (ADS)

Putta, Santosh Krishna

In this study, both macroscopic and microscopic numerical techniques have been explored, to model and understand the diffusion behavior of small molecules in amorphous polymers, which very often do not follow the classical Fickian law. It was attempted to understand the influence of various aspects of the molecular structure of a polymer on its macroscopic diffusion behavior. At the macroscopic level, a hybrid finite-element/finite-difference model is developed to implement the coupled diffusion and deformation constitutive equations. A viscoelasticity theory, combined with time-freevolume superposition is used to model the deformation processes. A freevolume-based model is used to model the diffusion processes. The freevolume in the polymer is used as a coupling factor between the deformation and the diffusion processes. The model is shown to qualitatively describe some of the typical non-Fickian diffusion behavior in polymers. However, it does not directly involve the microstructure of a polymer. Further, some of the input parameters to the model are difficult to obtain experimentally. A numerical microscopic approach is therefore adopted to study the molecular structure of polymers. A molecular mechanics and dynamics technique combined with a modified Rotational Isomeric State (RIS) approach, is followed to generate the molecular structure for two types of polycarbonates, and, two types of polyacrylates, starting only with their chemical structures. A new efficient 3-D algorithm for Delaunay Tessellation is developed, and, then applied to discretize the molecular structure into Delaunay Tetrahedra. By using the dicretized molecular structure, size, shape, and, connectivity of free-spaces for small molecule diffusion in the above mentioned polymers, are then studied in relation to their diffusion properties. The influence of polymer and side chain flexibility, and diffusant-diffusant and diffusant-polymer molecular interactions, is also discussed with respect to the diffusion properties.

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).

Modeling the microstructure of surface by applying BRDF function

NASA Astrophysics Data System (ADS)

Plachta, Kamil

2017-06-01

The paper presents the modeling of surface microstructure using a bidirectional reflectance distribution function. This function contains full information about the reflectance properties of the flat surfaces - it is possible to determine the share of the specular, directional and diffuse components in the reflected luminous stream. The software is based on the authorial algorithm that uses selected elements of this function models, which allows to determine the share of each component. Basing on obtained data, the surface microstructure of each material can be modeled, which allows to determine the properties of this materials. The concentrator directs the reflected solar radiation onto the photovoltaic surface, increasing, at the same time, the value of the incident luminous stream. The paper presents an analysis of selected materials that can be used to construct the solar concentrator system. The use of concentrator increases the power output of the photovoltaic system by up to 17% as compared to the standard solution.

Small-angle-neutron-scattering from giant water-in-oil microemulsion droplets. II. Polymer-decorated droplets in a quaternary system

NASA Astrophysics Data System (ADS)

Foster, Tobias; Sottmann, Thomas; Schweins, Ralf; Strey, Reinhard

2008-02-01

Amphiphilic block copolymers of the type poly(ethylenepropylene)-co-poly(ethyleneoxide) dramatically enhance the solubilisation efficiency of non-ionic surfactants in microemulsions that contain equal volumes of water in oil. Consequently, the length scale of the microstructure of such bicontinuous microemulsions is dramatically increased up to the order of a few 100nm. In this paper, we show that this so-called efficiency boosting effect can also be applied to water-in-oil microemulsions with droplet microstructure. Such giant water-in-oil microemulsions would provide confined compartments in which chemical reactions of biological macromolecules can be performed on a single molecule level. With this motivation we investigated the phase behavior and the microstructure of oil-rich microemulsions containing D2O, n-decane(d22), C10E4 and the amphiphilic block copolymer PEP5-PEO5 [poly(ethylenepropylene)-co-poly(ethyleneoxide), weight per block of 5000g/mol]. We found that 15wt% of water can be solubilised by 5wt% of surfactant and block copolymer when about 6wt% of surfactant is replaced by the block copolymer. Small-angle-neutron-scattering experiments were performed to determine the length scales and microstructure topologies of the oil-rich microemulsions. To analyze the scattering data, we derived a novel form factor that also takes into account the scattering contribution of the hydrophobic part of the block copolymer molecules that reside in the surfactant shell. The quantitative analysis of the scattering data with this form factor shows that the radius of the largest droplets amounts up to 30nm. The novel form factor also yielded qualitative information on the stretching of the polymer chains in dependence on the polymer surface density and the droplet radius.

Genetic Study of White Matter Integrity in UK Biobank (N=8448) and the Overlap With Stroke, Depression, and Dementia.

PubMed

Rutten-Jacobs, Loes C A; Tozer, Daniel J; Duering, Marco; Malik, Rainer; Dichgans, Martin; Markus, Hugh S; Traylor, Matthew

2018-06-01

Structural integrity of the white matter is a marker of cerebral small vessel disease, which is the major cause of vascular dementia and a quarter of all strokes. Genetic studies provide a way to obtain novel insights in the disease mechanism underlying cerebral small vessel disease. The aim was to identify common variants associated with microstructural integrity of the white matter and to elucidate the relationships of white matter structural integrity with stroke, major depressive disorder, and Alzheimer disease. This genome-wide association analysis included 8448 individuals from UK Biobank-a population-based cohort study that recruited individuals from across the United Kingdom between 2006 and 2010, aged 40 to 69 years. Microstructural integrity was measured as fractional anisotropy- (FA) and mean diffusivity (MD)-derived parameters on diffusion tensor images. White matter hyperintensity volumes (WMHV) were assessed on T2-weighted fluid-attenuated inversion recovery images. We identified 1 novel locus at genome-wide significance ( VCAN [versican]: rs13164785; P =3.7×10 -18 for MD and rs67827860; P =1.3×10 -14 for FA). LD score regression showed a significant genome-wide correlation between FA, MD, and WMHV (FA-WMHV rG 0.39 [SE, 0.15]; MD-WMHV rG 0.56 [SE, 0.19]). In polygenic risk score analysis, FA, MD, and WMHV were significantly associated with lacunar stroke, MD with major depressive disorder, and WMHV with Alzheimer disease. Genetic variants within the VCAN gene may play a role in the mechanisms underlying microstructural integrity of the white matter in the brain measured as FA and MD. Mechanisms underlying white matter alterations are shared with cerebrovascular disease, and inherited differences in white matter microstructure impact on Alzheimer disease and major depressive disorder. © 2018 The Authors.

Analysis of the microstructure of Xenodontinae snake scales associated with different habitat occupation strategies.

PubMed

Rocha-Barbosa, O; Moraes e Silva, R B

2009-08-01

The morphology of many organisms seems to be related to the environment they live in. Nonetheless, many snakes are so similar in their morphological patterns that it becomes quite difficult to distinguish any adaptive divergence that may exist. Many authors suggest that the microornamentations on the scales of reptiles have important functional value. Here, we examined variations on the micromorphology of the exposed oberhautchen surface of dorsal, lateral, and ventral scales from the mid-body region of Xenodontinae snakes: Sibynomorphus mikani (terricolous), Imantodes cenchoa (arboreal), Helicops modestus (aquatic) and Atractus pantostictus (fossorial). They were metallized and analyzed through scanning electron microscopy. All species displayed similar microstructures, such as small pits and spinules, which are often directed to the scale caudal region. On the other hand, there were some singular differences in scale shape and in the microstructural pattern of each species. S. mikani and I. cenchoa have larger spinules arranged in a row which overlap the following layers on the scale surface. Species with large serrate borders are expected to have more frictional resistance from the caudal-cranial direction. This can favor life in environments which require more friction, facilitating locomotion. In H. modestus, the spinules are smaller and farther away from the posterior rows, which should help reduce water resistance during swimming. The shallower small pits found in this species can retain impermeable substances, as in aquatic Colubridae snakes. The spinules adhering to the caudal scales of A. pantostictus seem to form a more regular surface, which probably aid their fossorial locomotion, reducing scale-ground friction. Our data appear to support the importance of functional microstructure, contributing to the idea of snake species adaptation to their preferential microhabitats.

Microstructural evolution during the homogenization heat treatment of 6XXX and 7XXX aluminum alloys

NASA Astrophysics Data System (ADS)

Priya, Pikee

Homogenization heat treatment of as-cast billets is an important step in the processing of aluminum extrusions. Microstructural evolution during homogenization involves elimination of the eutectic morphology by spheroidisation of the interdendritic phases, minimization of the microsegregation across the grains through diffusion, dissolution of the low-melting phases, which enhances the surface finish of the extrusions, and precipitation of nano-sized dispersoids (for Cr-, Zr-, Mn-, Sc-containing alloys), which inhibit grain boundary motion to prevent recrystallization. Post-homogenization cooling reprecipitates some of the phases, changing the flow stress required for subsequent extrusion. These precipitates, however, are deleterious for the mechanical properties of the alloy and also hamper the age-hardenability and are hence dissolved during solution heat treatment. Microstructural development during homogenization and subsequent cooling occurs both at the length scale of the Secondary Dendrite Arm Spacing (SDAS) in micrometers and dispersoids in nanometers. Numerical tools to simulate microstructural development at both the length scales have been developed and validated against experiments. These tools provide easy and convenient means to study the process. A Cellular Automaton-Finite Volume-based model for evolution of interdendritic phases is coupled with a Particle Size Distribution-based model for precipitation of dispersoids across the grain. This comprehensive model has been used to study the effect of temperature, composition, as-cast microstructure, and cooling rates during post-homogenization quenching on microstructural evolution. The numerical study has been complimented with experiments involving Scanning Electron Microscopy, Energy Dispersive Spectroscopy, X-Ray Diffraction and Differential Scanning Calorimetry and a good agreement has with numerical results has been found. The current work aims to study the microstructural evolution during homogenization heat treatment at both length scales which include the (i) dissolution and transformation of the as-cast secondary phases; (ii) precipitation of dispersoids; and (iii) reprecipitation of some of the secondary phases during post-homogenization cooling. The kinetics of the phase transformations are mostly diffusion controlled except for the eta to S phase transformation in 7XXX alloys which is interface reaction rate controlled which has been implemented using a novel approach. Recommendations for homogenization temperature, time, cooling rates and compositions are made for Al-Si-Mg-Fe-Mn and Al-Zn-Cu-Mg-Zr alloys. The numerical model developed has been applied for a through process solidification-homogenization modeling of a Direct-Chill cast AA7050 cylindrical billet to study the radial variation of microstructure after solidification, homogenization and post-homogenization cooling.

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

Multiscale Modeling for the Analysis for Grain-Scale Fracture Within Aluminum Microstructures

NASA Technical Reports Server (NTRS)

Glaessgen, Edward H.; Phillips, Dawn R.; Yamakov, Vesselin; Saether, Erik

2005-01-01

Multiscale modeling methods for the analysis of metallic microstructures are discussed. Both molecular dynamics and the finite element method are used to analyze crack propagation and stress distribution in a nanoscale aluminum bicrystal model subjected to hydrostatic loading. Quantitative similarity is observed between the results from the two very different analysis methods. A bilinear traction-displacement relationship that may be embedded into cohesive zone finite elements is extracted from the nanoscale molecular dynamics results.

A FSI-based structural approach for micromechanical characterization of adipose tissue

NASA Astrophysics Data System (ADS)

Seyfi, Behzad; Sabzalinejad, Masoumeh; Haddad, Seyed M. H.; Fatouraee, Nasser; Samani, Abbas

2017-03-01

This paper presents a novel computational method for micromechanical modeling of adipose tissue. The model can be regarded as the first step for developing an inversion based framework that uses adipose stiffness data obtained from elastography to determine its microstructural alterations. Such information can be used as biomarkers for diseases associated with adipose tissue microstructure alteration (e.g. adipose tissue fibrosis and inflammation in obesity). In contrast to previous studies, the presented model follows a multiphase structure which accounts for both solid and fluid components as well as their mechanical interaction. In the model, the lipid droplets and extracellular matrix were considered as the fluid and solid phase, respectively. As such, the fluid-structure interaction (FSI) problem was solved using finite element method. In order to gain insight into how microstructural characteristics influence the macro scale mechanical properties of the adipose tissue, a compression mechanical test was simulated using the FSI model and its results were fitted to corresponding experimental data. The simulation procedure was performed for adipocytes in healthy conditions while the stiffness of extracellular matrix in normal adipose tissue was found by varying it systematically within an optimization process until the simulation response agreed with experimental data. Results obtained in this study are encouraging and show the capability of the proposed model to capture adipose tissue macroscale mechanical behavior based on its microstructure under health and different pathological conditions.

Discrete element modeling of microstructure of nacre

NASA Astrophysics Data System (ADS)

Chandler, Mei Qiang; Cheng, Jing-Ru C.

2018-04-01

The microstructure of nacre consists of polygon-shaped aragonite mineral tablets bonded by very thin layers of organic materials and is organized in a brick-mortar morphology. In this research, the discrete element method was utilized to model this structure. The aragonite mineral tablets were modeled with three-dimensional polygon particles generated by the Voronoi tessellation method to represent the Voronoi-like patterns of mineral tablets assembly observed in experiments. The organic matrix was modeled with a group of spring elements. The constitutive relations of the spring elements were inspired from the experimental results of organic molecules from the literature. The mineral bridges were modeled with simple elastic bonds with the parameters based on experimental data from the literature. The bulk stress-strain responses from the models agreed well with experimental results. The model results show that the mineral bridges play important roles in providing the stiffness and yield strength for the nacre, while the organic matrix in providing the ductility for the nacre. This work demonstrated the suitability of particle methods for modeling microstructures of nacre.

RGB generation by four-wave mixing in small-core holey fibers

NASA Astrophysics Data System (ADS)

Horak, Peter; Dupriez, Pascal; Poletti, Francesco; Petrovich, Marco N.; Jeong, Yoonchan; Nilsson, Johan; Richardson, David J.; Payne, David N.

2007-09-01

We report the generation of white light comprising red, green, and blue spectral bands from a frequency-doubled fiber laser in submicron-sized cores of microstructured holey fibers. Picosecond pulses of green light are launched into a single suspended core of a silica holey fiber where energy is transferred by an efficient four-wave mixing process into a red and blue sideband whose wavelengths are fixed by birefringent phase matching due to a slight asymmetry of the structure arising during the fiber fabrication. Numerical models of the fiber structure and of the nonlinear processes confirm our interpretation. Finally, we discuss power scaling and limitations of this white light source.

Using Power Ultrasound to Accelerate Food Freezing Processes: Effects on Freezing Efficiency and Food Microstructure.

PubMed

Zhang, Peizhi; Zhu, Zhiwei; Sun, Da-Wen

2018-05-31

Freezing is an effective way of food preservation. However, traditional freezing methods have the disadvantages of low freezing efficiency and generation of large ice crystals, leading to possible damage of food quality. Power ultrasound assisted freezing as a novel technique can effectively reduce the adverse effects during freezing process. This paper gives an overview on recent researches of power ultrasound technique to accelerate the food freezing processes and illustrates the main principles of power ultrasound assisted freezing. The effects of power ultrasound on liquid food, model solid food as well as fruit and vegetables are discussed, respectively, from the aspects of increasing freezing rate and improving microstructure. It is shown that ultrasound assisted freezing can effectively improve the freezing efficiency and promote the formation of small and evenly distributed ice crystals, resulting in better food quality. Different inherent properties of food samples affect the effectiveness of ultrasound application and optimum ultrasound parameters depend on the nature of the samples. The application of ultrasound to the food industry is more likely on certain types of food products and more efforts are still needed to realize the industrial translation of laboratory results.

Microstructural evolution of nanochannel CrN films under ion irradiation at elevated temperature and post-irradiation annealing

NASA Astrophysics Data System (ADS)

Tang, Jun; Hong, Mengqing; Wang, Yongqiang; Qin, Wenjing; Ren, Feng; Dong, Lan; Wang, Hui; Hu, Lulu; Cai, Guangxu; Jiang, Changzhong

2018-03-01

High-performance radiation tolerance materials are crucial for the success of future advanced nuclear reactors. In this paper, we present a further investigation that the "vein-like" nanochannel films can enhance radiation tolerance under ion irradiation at high temperature and post-irradiation annealing. The chromium nitride (CrN) nanochannel films with different nanochannel densities and the compact CrN film are chosen as a model system for these studies. Microstructural evolution of these films were investigated using Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Elastic Recoil Detection (ERD) and Grazing Incidence X-ray Diffraction (GIXRD). Under the high fluence He+ ion irradiation at 500 °C, small He bubbles with low bubble densities are observed in the irradiated nanochannel CrN films, while the aligned large He bubbles, blistering and texture reconstruction are found in the irradiated compact CrN film. For the heavy Ar2+ ion irradiation at 500 °C, the microstructure of the nanochannel CrN RT film is more stable than that of the compact CrN film due to the effective releasing of defects via the nanochannel structure. Under the He+ ion irradiation and subsequent annealing, compared with the compact film, the nanochannel films have excellent performance for the suppression of He bubble growth and possess the strong microstructural stability. Basing on the analysis on the sizes and number densities of bubbles as well as the concentrations of He retained in the nanochannel CrN films and the compact CrN film under different experimental conditions, potential mechanism for the enhanced radiation tolerance are discussed. Nanochannels play a crucial role on the release of He/defects under ion irradiation. We conclude that the tailored "vein-like" nanochannel structure may be used as advanced radiation tolerance materials for future nuclear reactors.

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.

Techniques and software tools for estimating ultrasonic signal-to-noise ratios

NASA Astrophysics Data System (ADS)

Chiou, Chien-Ping; Margetan, Frank J.; McKillip, Matthew; Engle, Brady J.; Roberts, Ronald A.

2016-02-01

At Iowa State University's Center for Nondestructive Evaluation (ISU CNDE), the use of models to simulate ultrasonic inspections has played a key role in R&D efforts for over 30 years. To this end a series of wave propagation models, flaw response models, and microstructural backscatter models have been developed to address inspection problems of interest. One use of the combined models is the estimation of signal-to-noise ratios (S/N) in circumstances where backscatter from the microstructure (grain noise) acts to mask sonic echoes from internal defects. Such S/N models have been used in the past to address questions of inspection optimization and reliability. Under the sponsorship of the National Science Foundation's Industry/University Cooperative Research Center at ISU, an effort was recently initiated to improve existing research-grade software by adding graphical user interface (GUI) to become user friendly tools for the rapid estimation of S/N for ultrasonic inspections of metals. The software combines: (1) a Python-based GUI for specifying an inspection scenario and displaying results; and (2) a Fortran-based engine for computing defect signal and backscattered grain noise characteristics. The latter makes use of several models including: the Multi-Gaussian Beam Model for computing sonic fields radiated by commercial transducers; the Thompson-Gray Model for the response from an internal defect; the Independent Scatterer Model for backscattered grain noise; and the Stanke-Kino Unified Model for attenuation. The initial emphasis was on reformulating the research-grade code into a suitable modular form, adding the graphical user interface and performing computations rapidly and robustly. Thus the initial inspection problem being addressed is relatively simple. A normal-incidence pulse/echo immersion inspection is simulated for a curved metal component having a non-uniform microstructure, specifically an equiaxed, untextured microstructure in which the average grain size may vary with depth. The defect may be a flat-bottomed-hole reference reflector, a spherical void or a spherical inclusion. In future generations of the software, microstructures and defect types will be generalized and oblique incidence inspections will be treated as well. This paper provides an overview of the modeling approach and presents illustrative results output by the first-generation software.

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.

United States Air Force Research Initiation Program for 1987. Volume 3

DTIC Science & Technology

1989-04-01

Influence of Microstructural Variations Dr. Ravinder Diwan on the Thermomechanical Processing in Dynamic Material Modeling of Titanium Aluminides , 760,7MG...7MG-077 INFLUENCE OF MICROSTRUCTURAL VARIATIONS ON THE THERMOMECHANICAL PROCESSING IN DYNAMIC MATERIAL MODELING OF TITANIUM ALUMINIDES MARCH 15, 1989...provided on this project. Final Report Submitted: March 15, 1989. 75-1 ABSTRACT Titanium aluminides with strong thermodynamically stable intermetallic phases

Modeling property evolution of container materials used in nuclear waste storage

NASA Astrophysics Data System (ADS)

Li, Dongsheng; Garmestani, Hamid; Khaleel, Moe; Sun, Xin

2010-03-01

Container materials under irradiation for a long time will raise high energy in the structure to generate critical structural damage. This study investigated what kind of mesoscale microstructure will be more resistant to radiation damage. Mechanical properties evolution during irradiation was modeled using statistical continuum mechanics. Preliminary results also showed how to achieve the desired microstructure with higher resistance to radiation.

Modeling the microstructural changes during hot tandem rolling of AA5 XXX aluminum alloys: Part I. Microstructural evolution

NASA Astrophysics Data System (ADS)

Wells, M. A.; Samarasekera, I. V.; Brimacombe, J. K.; Hawbolt, E. B.; Lloyd, D. J.

1998-06-01

A comprehensive mathematical model of the hot tandem rolling process for aluminum alloys has been developed. Reflecting the complex thermomechanical and microstructural changes effected in the alloys during rolling, the model incorporated heat flow, plastic deformation, kinetics of static recrystallization, final recrystallized grain size, and texture evolution. The results of this microstructural engineering study, combining computer modeling, laboratory tests, and industrial measurements, are presented in three parts. In this Part I, laboratory measurements of static recrystallization kinetics and final recrystallized grain size are described for AA5182 and AA5052 aluminum alloys and expressed quantitatively by semiempirical equations. In Part II, laboratory measurements of the texture evolution during static recrystallization are described for each of the alloys and expressed mathematically using a modified form of the Avrami equation. Finally, Part III of this article describes the development of an overall mathematical model for an industrial aluminum hot tandem rolling process which incorporates the microstructure and texture equations developed and the model validation using industrial data. The laboratory measurements for the microstructural evolution were carried out using industrially rolled material and a state-of-the-art plane strain compression tester at Alcan International. Each sample was given a single deformation and heat treated in a salt bath at 400 °C for various lengths of time to effect different levels of recrystallization in the samples. The range of hot-working conditions used for the laboratory study was chosen to represent conditions typically seen in industrial aluminum hot tandem rolling processes, i.e., deformation temperatures of 350 °C to 500 °C, strain rates of 0.5 to 100 seconds and total strains of 0.5 to 2.0. The semiempirical equations developed indicated that both the recrystallization kinetics and the final recrystallized grain size were dependent on the deformation history of the material i.e., total strain and Zener-Hollomon parameter ( Z), where Z = dot \\varepsilon exp left( {{Q_{def} }/{RT_{def }}} right) and time at the recrystallization temperature.

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.

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.

Microstructure of Pharmaceutical Semicrystalline Dispersions: The Significance of Polymer Conformation.

PubMed

Van Duong, Tu; Goderis, Bart; Van Humbeeck, Jan; Van den Mooter, Guy

2018-02-05

The microstructure of pharmaceutical semicrystalline solid dispersions has attracted extensive attention due to its complexity that might result in the diversity in physical stability, dissolution behavior, and pharmaceutical performance of the systems. Numerous factors have been reported that dictate the microstructure of semicrystalline dispersions. Nevertheless, the importance of the complicated conformation of the polymer has never been elucidated. In this study, we investigate the microstructure of dispersions of polyethylene glycol and active pharmaceutical ingredients by small-angle X-ray scattering and high performance differential scanning calorimetry. Polyethylene glycol with molecular weight of 2000 g/mol (PEG2000) and 6000 g/mol (PEG6000) exhibited remarkable discrepancy in the lamellar periodicity in dispersions with APIs which was attributed to the differences in their folding behavior. The long period of PEG2000 always decreased upon aging-induced exclusion of APIs from the interlamellar region of extended chain crystals whereas the periodicity of PEG6000 may decrease or increase during storage as a consequence of the competition between the drug segregation and the lamellar thickening from nonintegral-folded into integral-folded chain crystals. These processes were in turn significantly influenced by the crystallization tendency of the pharmaceutical compounds, drug-polymer interactions, as well as the dispersion composition and crystallization temperature. This study highlights the significance of the polymer conformation on the microstructure of semicrystalline systems that is critical for the preparation of solid dispersions with consistent and reproducible quality.

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.

Euromech 579 Arpino 3-8 April 2017: Generalized and microstructured continua: new ideas in modeling and/or applications to structures with (nearly)inextensible fibers—a review of presentations and discussions

NASA Astrophysics Data System (ADS)

Laudato, Marco; Di Cosmo, Fabio

2018-04-01

In the present paper, a rational report on Euromech 579, Generalized and Microstructured Continua: New ideas in modeling and/or Applications to Structures with (nearly)inextensible fibers (Arpino 3-8 April 2017), is provided. The main aim of the colloquium was to provide a forum for experts in generalized and microstructured continua with inextensible fibers to exchange ideas and get informed about the latest research trends in the domain. The interested reader will find more details about the colloquium at the dedicated web page http://www.memocsevents.eu/euromech579.

Effect of microstructure on the detonation initiation in energetic materials

NASA Astrophysics Data System (ADS)

Zhang, J.; Jackson, T. L.

2017-12-01

In this work we examine the role of the microstructure on detonation initiation of energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The deposition term is based on simulations of void collapse at the microscale, modeled at the mesoscale as hot-spots, while the reaction rate at the mesoscale is modeled using density-based kinetics. We carry out two-dimensional simulations of random packs of HMX crystals in a binder. We show that mean particle size, size distribution, and particle shape have a major effect on the transition between detonation and no-detonation, thus highlighting the importance of the microstructure for shock-induced initiation.

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.

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

Multiscale modeling of lithium ion batteries: thermal aspects

PubMed Central

Zausch, Jochen

2015-01-01

Summary The thermal behavior of lithium ion batteries has a huge impact on their lifetime and the initiation of degradation processes. The development of hot spots or large local overpotentials leading, e.g., to lithium metal deposition depends on material properties as well as on the nano- und microstructure of the electrodes. In recent years a theoretical structure emerges, which opens the possibility to establish a systematic modeling strategy from atomistic to continuum scale to capture and couple the relevant phenomena on each scale. We outline the building blocks for such a systematic approach and discuss in detail a rigorous approach for the continuum scale based on rational thermodynamics and homogenization theories. Our focus is on the development of a systematic thermodynamically consistent theory for thermal phenomena in batteries at the microstructure scale and at the cell scale. We discuss the importance of carefully defining the continuum fields for being able to compare seemingly different phenomenological theories and for obtaining rules to determine unknown parameters of the theory by experiments or lower-scale theories. The resulting continuum models for the microscopic and the cell scale are numerically solved in full 3D resolution. The complex very localized distributions of heat sources in a microstructure of a battery and the problems of mapping these localized sources on an averaged porous electrode model are discussed by comparing the detailed 3D microstructure-resolved simulations of the heat distribution with the result of the upscaled porous electrode model. It is shown, that not all heat sources that exist on the microstructure scale are represented in the averaged theory due to subtle cancellation effects of interface and bulk heat sources. Nevertheless, we find that in special cases the averaged thermal behavior can be captured very well by porous electrode theory. PMID:25977870

Viscoelastic behavior and microstructure of protein solutions

USDA-ARS?s Scientific Manuscript database

Twenty percent solutions of calcium caseinate (CC), egg albumin (EA), fish protein isolate (FPI), soy protein isolate (SPI), wheat gluten (WG), and whey protein isolate (WPI) were examined during heating by small amplitude oscillatory shear measurements, which provided an indication of protein behav...

Understanding the solidification and microstructure evolution during CSC-MIG welding of Fe–Cr–B-based alloy

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

Sorour, A.A., E-mail: ahmad.sorour@mail.mcgill.ca; Chromik, R.R., E-mail: richard.chromik@mcgill.ca; Gauvin, R., E-mail: raynald.gauvin@mcgill.ca

2013-12-15

The present is a study of the solidification and microstructure of Fe–28.2%Cr–3.8%B–1.5%Si–1.5%Mn (wt.%) alloy deposited onto a 1020 plain carbon steel substrate using the controlled short-circuit metal inert gas welding process. The as-solidified alloy was a metal matrix composite with a hypereutectic microstructure. Thermodynamic calculation based on the Scheil–Gulliver model showed that a primary (Cr,Fe){sub 2}B phase formed first during solidification, followed by an eutectic formation of the (Cr,Fe){sub 2}B phase and a body-centered cubic Fe-based solid solution matrix, which contained Cr, Mn and Si. Microstructure analysis confirmed the formation of these phases and showed that the shape of themore » (Cr,Fe){sub 2}B phase was irregular plate. As the welding heat input increased, the weld dilution increased and thus the volume fraction of the (Cr,Fe){sub 2}B plates decreased while other microstructural characteristics were similar. - Highlights: • We deposit Fe–Cr–B-based alloy onto plain carbon steel using the CSC-MIG process. • We model the solidification behavior using thermodynamic calculation. • As deposited alloy consists of (Cr,Fe){sub 2}B plates embedded in Fe-based matrix. • We study the effect of the welding heat input on the microstructure.« less

DETECTION OF POLARIZED QUASI-PERIODIC MICROSTRUCTURE EMISSION IN MILLISECOND PULSARS

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

De, Kishalay; Sharma, Prateek; Gupta, Yashwant, E-mail: kde@caltech.edu

Microstructure emission, involving short timescale, often quasi-periodic, intensity fluctuations in subpulse emission, is well known in normal period pulsars. In this Letter, we present the first detections of quasi-periodic microstructure emission from millisecond pulsars (MSPs), from Giant Metrewave Radio Telescope observations of two MSPs at 325 and 610 MHz. Similar to the characteristics of microstructure observed in normal period pulsars, we find that these features are often highly polarized and exhibit quasi-periodic behavior on top of broader subpulse emission, with periods of the order of a few μ s. By measuring their widths and periodicities from single pulse intensity profilesmore » and their autocorrelation functions, we extend the microstructure timescale–rotation period relationship by more than an order of magnitude down to rotation periods ∼5 ms, and find it to be consistent with the relationship derived earlier for normal pulsars. The similarity of behavior is remarkable, given the significantly different physical properties of MSPs and normal period pulsars, and rules out several previous speculations about the possible different characteristics of microstructure in MSP radio emission. We discuss the possible reasons for the non-detection of these features in previous high time resolution MSP studies along with the physical implications of our results, both in terms of a geometric beam sweeping model and temporal modulation model for micropulse production.« less

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.

Deformation mechanisms and grain size evolution in the Bohemian granulites - a computational study

NASA Astrophysics Data System (ADS)

Maierova, Petra; Lexa, Ondrej; Jeřábek, Petr; Franěk, Jan; Schulmann, Karel

2015-04-01

A dominant deformation mechanism in crustal rocks (e.g., dislocation and diffusion creep, grain boundary sliding, solution-precipitation) depends on many parameters such as temperature, major minerals, differential stress, strain rate and grain size. An exemplary sequence of deformation mechanisms was identified in the largest felsic granulite massifs in the southern Moldanubian domain (Bohemian Massif, central European Variscides). These massifs were interpreted to result from collision-related forced diapiric ascent of lower crust and its subsequent lateral spreading at mid-crustal levels. Three types of microstructures were distinguished. The oldest relict microstructure (S1) with large grains (>1000 μm) of feldspar deformed probably by dislocation creep at peak HT eclogite facies conditions. Subsequently at HP granulite-facies conditions, chemically- and deformation- induced recrystallization of feldspar porphyroclasts led to development of a fine-grained microstructure (S2, ~50 μm grain size) indicating deformation via diffusion creep, probably assisted by melt-enhanced grain-boundary sliding. This microstructure was associated with flow in the lower crust and/or its diapiric ascent. The latest microstructure (S3, ~100 μm grain size) is related to the final lateral spreading of retrograde granulites, and shows deformation by dislocation creep at amphibolite-facies conditions. The S2-S3 switch and coarsening was interpreted to be related with a significant decrease in strain rate. From this microstructural sequence it appears that it is the grain size that is critically linked with specific mechanical behavior of these rocks. Thus in this study, we focused on the interplay between grain size and deformation with the aim to numerically simulate and reinterpret the observed microstructural sequence. We tested several different mathematical descriptions of the grain size evolution, each of which gave qualitatively different results. We selected the two most elaborated and at the same time the most promising descriptions: thermodynamics-based models with and without Zener pinning. For conditions compatible with the S1 and S2 microstructures (~800 °C and strain rate ~10-13 s-1), the calculated stable grain sizes are ~30 μm and >300 μm in the models with and without Zener pinning, respectively. This is in agreement with the contrasting grain sizes associated with S1 and S2 microstructures implying that mainly chemically induced recrystallization of S1 feldspar porphyroclasts must had played a fundamental role in the transition into the diffusion creep. The model with pinning also explains only minor changes of mean grain size associated with S2 microstructure. The S2-S3 switch from the diffusion to dislocation creep is difficult to explain when assuming reasonable temperature and strain rate (or stress). However, a simple incorporation of the effect of melt solidification into the model with pinning can mimic this observed switch. Besides the above mentioned simple models with prescribed temperature and strain rate, we implemented the grain size evolution laws into in a 2D thermo-mechanical model setup, where stress, strain rate and temperature evolve in a more natural manner. This setup simulates a collisional evolution of an orogenic root with anomalous lower crust. The lower-crustal material is a source region for diapirs and it deforms via a combination of dislocation and grain-size-sensitive creeps. We tested the influence of selected parameters in the flow laws and in the grain-size evolution laws on the shape and other characteristics of the growing diapirs. The outputs of our simulations were then compared with the geological record from the Moldanubian granulite massifs.

Characterization of 3D interconnected microstructural network in mixed ionic and electronic conducting ceramic composites

NASA Astrophysics Data System (ADS)

Harris, William M.; Brinkman, Kyle S.; Lin, Ye; Su, Dong; Cocco, Alex P.; Nakajo, Arata; Degostin, Matthew B.; Chen-Wiegart, Yu-Chen Karen; Wang, Jun; Chen, Fanglin; Chu, Yong S.; Chiu, Wilson K. S.

2014-04-01

The microstructure and connectivity of the ionic and electronic conductive phases in composite ceramic membranes are directly related to device performance. Transmission electron microscopy (TEM) including chemical mapping combined with X-ray nanotomography (XNT) have been used to characterize the composition and 3-D microstructure of a MIEC composite model system consisting of a Ce0.8Gd0.2O2 (GDC) oxygen ion conductive phase and a CoFe2O4 (CFO) electronic conductive phase. The microstructural data is discussed, including the composition and distribution of an emergent phase which takes the form of isolated and distinct regions. Performance implications are considered with regards to the design of new material systems which evolve under non-equilibrium operating conditions.The microstructure and connectivity of the ionic and electronic conductive phases in composite ceramic membranes are directly related to device performance. Transmission electron microscopy (TEM) including chemical mapping combined with X-ray nanotomography (XNT) have been used to characterize the composition and 3-D microstructure of a MIEC composite model system consisting of a Ce0.8Gd0.2O2 (GDC) oxygen ion conductive phase and a CoFe2O4 (CFO) electronic conductive phase. The microstructural data is discussed, including the composition and distribution of an emergent phase which takes the form of isolated and distinct regions. Performance implications are considered with regards to the design of new material systems which evolve under non-equilibrium operating conditions. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr06684c

Mechanical Properties of Fe-Ni Meteorites

NASA Astrophysics Data System (ADS)

Roberta, Mulford; El Dasher, B.

2010-10-01

Iron-nickel meteorites exhibit a unique lamellar microstructure, Widmanstatten patterns, consisting of small regions with steep-iron-nickel composition gradients.1,2 The microstructure arises as a result of extremely slow cooling in a planetary core or other large mass. Mechanical properties of these structures have been investigated using microindentation, x-ray fluorescence, and EBSD. Observation of local mechanical properties in these highly structured materials supplements bulk measurements, which can exhibit large variation in dynamic properties, even within a single sample. 3 Accurate mechanical properties for meteorites may enable better modeling of planetary cores, the likely origin of these objects. Appropriate values for strength are important in impact and crater modeling and in understanding the consequences of observed impacts on planetary crusts. Previous studies of the mechanical properties of a typical iron-nickel meteorite, a Diablo Canyon specimen, indicated that the strength of the composite was higher by almost an order of magnitude than values obtained from laboratory-prepared specimens.4 This was ascribed to the extreme work-hardening evident in the EBSD measurements. This particular specimen exhibited only residual Widmanstatten structures, and may have been heated and deformed during its traverse of the atmosphere. Additional specimens from the Canyon Diablo fall (type IAB, coarse octahedrite) and examples from the Muonionalusta meteorite and Gibeon fall ( both IVA, fine octahedrite), have been examined to establish a range of error on the previously measured yield, to determine the extent to which deformation upon re-entry contributes to yield, and to establish the degree to which the strength varies as a function of microstructure. 1. A. Christiansen, et.al., Physica Scripta, 29 94-96 (1984.) 2. Goldstein and Ogilvie, Geochim Cosmochim Acta, 29 893-925 (1965.) 3. M. D. Furnish, M.B. Boslough, G.T. Gray II, and J.L. Remo, Int. J. Impact Eng, 17 341-352 (1995.) 4. J.J. Petrovic, J. Mater. Sci., 36 1579-1583 (2001.)

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

The deformation behavior and microstructure evolution of duplex Mg-9Li-1Al alloy during superplasticity tensile testing

NASA Astrophysics Data System (ADS)

Liu, Meiduo; Zheng, Haipeng; Zhang, Tianlong; Wu, Ruizhi

2017-12-01

The superplastic mechanical properties and microstructure evolution of the duplex Mg-9Li-1Al alloy were investigated. The tensile testing results show that, the elongation of the as-extruded Mg-9Li-1Al alloy reaches 510% at 573 K with a strain rate of 2×10-4 s-1. During the deformation process, the strips of α phase break into equiaxed structure. This phenomenon can be attributed to a particular dynamic recrystallization, which suggests that the β phase can recrystallize in the α phase due to the small misfit degree between α phase and β phase.

Molecular dynamics simulation of the ionic liquid N-octylpyridinium tetrafluoroborate and acetonitrile: Thermodynamic and structural properties

NASA Astrophysics Data System (ADS)

Zhou, Siwen; Zhu, Guanglai; Kang, Xianqu; Li, Qiang; Sha, Maolin; Cui, Zhifeng; Xu, Xinsheng

2018-06-01

Using molecular dynamics simulation, the research obtained the thermodynamic properties and microstructures of the mixture of N-octylpyridinium tetrafluoroborate and acetonitrile, including density, self-diffusion coefficients, excess properties, radial distribution functions (RDFs) and spatial distribution functions (SDFs). Both RDFs and SDFs indicate that the local microstructure of the polar region is different from the nonpolar region with different mole fraction of ionic liquids. Acetonitrile could increase the order of the polar regions. While with acetonitrile increasing, the orderliness of the nonpolar region increases firstly and then decreases. In relatively dilute solution, ionic liquids were dispersed to form small aggregates wrapped by acetonitrile.

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.

Fire performance, microstructure and thermal degradation of an epoxy based nano intumescent fire retardant coating for structural applications

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

Aziz, Hammad, E-mail: engr.hammad.aziz03@gmail.com; Ahmad, Faiz, E-mail: faizahmad@petronas.com.my; Yusoff, P. S. M. Megat

Intumescent fire retardant coating (IFRC) is a passive fire protection system which swells upon heating to form expanded multi-cellular char layer that protects the substrate from fire. In this research work, IFRC’s were developed using different flame retardants such as ammonium polyphosphate, expandable graphite, melamine and boric acid. These flame retardants were bound together with the help of epoxy binder and cured together using curing agent. IFRC was then reinforced with nano magnesium oxide and nano alumina as inorganic fillers to study their effect towards fire performance, microstructure and thermal degradation. Small scale fire test was conducted to investigate themore » thermal insulation of coating whereas fire performance was calculated using thermal margin value. Field emission scanning electron microscopy was used to examine the microstructure of char obtained after fire test. Thermogravimetric analysis was conducted to investigate the residual weight of coating. Results showed that the performance of the coating was enhanced by reinforcement with nano size fillers as compared to non-filler based coating. Comparing both nano size magnesium oxide and nano size alumina; nano size alumina gave better fire performance with improved microstructure of char and high residual weight.« less

Fire performance, microstructure and thermal degradation of an epoxy based nano intumescent fire retardant coating for structural applications

NASA Astrophysics Data System (ADS)

Aziz, Hammad; Ahmad, Faiz; Yusoff, P. S. M. Megat; Zia-ul-Mustafa, M.

2015-07-01

Intumescent fire retardant coating (IFRC) is a passive fire protection system which swells upon heating to form expanded multi-cellular char layer that protects the substrate from fire. In this research work, IFRC's were developed using different flame retardants such as ammonium polyphosphate, expandable graphite, melamine and boric acid. These flame retardants were bound together with the help of epoxy binder and cured together using curing agent. IFRC was then reinforced with nano magnesium oxide and nano alumina as inorganic fillers to study their effect towards fire performance, microstructure and thermal degradation. Small scale fire test was conducted to investigate the thermal insulation of coating whereas fire performance was calculated using thermal margin value. Field emission scanning electron microscopy was used to examine the microstructure of char obtained after fire test. Thermogravimetric analysis was conducted to investigate the residual weight of coating. Results showed that the performance of the coating was enhanced by reinforcement with nano size fillers as compared to non-filler based coating. Comparing both nano size magnesium oxide and nano size alumina; nano size alumina gave better fire performance with improved microstructure of char and high residual weight.

Comparative microstructure study of oil palm fruit bunch fibre, mesocarp and kernels after microwave pre-treatment

NASA Astrophysics Data System (ADS)

Chang, Jessie S. L.; Chan, Y. S.; Law, M. C.; Leo, C. P.

2017-07-01

The implementation of microwave technology in palm oil processing offers numerous advantages; besides elimination of polluted palm oil mill effluent, it also reduces energy consumption, processing time and space. However, microwave exposure could damage a material’s microstructure which affected the quality of fruit that can be related to its physical structure including the texture and appearance. In this work, empty fruit bunches, mesocarp and kernel was microwave dried and their respective microstructures were examined. The microwave pretreatments were conducted at 100W and 200W and the microstructure investigation of both treated and untreated samples were evaluated using scanning electron microscope. The micrographs demonstrated that microwave does not significantly influence kernel and mesocarp but noticeable change was found on the empty fruit bunches where the sizes of the granular starch were reduced and a small portion of the silica bodies were disrupted. From the experimental data, the microwave irradiation was shown to be efficiently applied on empty fruit bunches followed by mesocarp and kernel as significant weight loss and size reduction was observed after the microwave treatments. The current work showed that microwave treatment did not change the physical surfaces of samples but sample shrinkage is observed.

Microstructures and Mechanical Properties of Weld Metal and Heat-Affected Zone of Electron Beam-Welded Joints of HG785D Steel

NASA Astrophysics Data System (ADS)

Zhang, Qiang; Han, Jianmin; Tan, Caiwang; Yang, Zhiyong; Wang, Junqiang

2016-12-01

Vacuum electron beam welding (EBW) process was employed to butt weld 10-mm-thick HG785D high-strength steels. The penetration into the steel was adjusted by beam current. Microstructures at weld metal and heat-affected zone (HAZ) regions were comparatively observed. Mechanical properties of the EBWed joints including Vickers hardness, tensile and Charpy impact tests were evaluated. The results indicated that microstructures at the weld metal consisted of coarse lath martensite and a small amount of acicular martensite, while that in the HAZ was tempered sorbite and martensite. The grain size in the weld metal was found to be larger than that in the HAZ, and its proportion in weld metal was higher. The hardness in the weld metal was higher than the HAZ and base metal. The tensile strength and impact toughness in the HAZ was higher than that in the weld metal. All the behaviors were related to microstructure evolution caused by higher cooling rates and state of base metal. The fracture surfaces of tensile and impact tests on the optimized joint were characterized by uniform and ductile dimples. The results differed significantly from that obtained using arc welding process.

Microstructure and Mechanical Properties of a Low Alloyed MnB Cast Steel

NASA Astrophysics Data System (ADS)

Luo, Kaishuang; Bai, Bingzhe

2010-08-01

The microstructure and mechanical properties of a low alloyed MnB cast steel designed for coupler castings of trucks were studied. The results show that the microstructure of the MnB cast steel after water quenching is lath martensite and a small amount of massive islands in the matrix of lath martensite. The average size of the martensite packets is about 10 μm in length. Carbides precipitated dispersively at the tempering temperature of 450 °C. The carbides are slender and fibrous, of which the microstructure was θ-phase (Fe, Mn)3C characterized by TEM. The MnB cast steel has good hardenability and tempering stability. Excellent combination of strength, ductility and low-temperature toughness were obtained after water-quenching and 450 °C tempering: Rm = 960-1040 MPa, ReL = 880-900 MPa, A = 19-21%, Z = 56-58%. Especially, the impact energy of the Charpy V-Notch (CVN) specimens reached 70-88 J at -40 °C. The fracture mechanism is transcrystalline fracture both for ambient temperature uniaxial tensile test specimens and for CVN impact test specimens broken at -40 °C, where the whole surfaces were manifested as voids and dimples.

Microstructure and mesh sensitivities of mesoscale surrogate driving force measures for transgranular fatigue cracks in polycrystals

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

Castelluccio, Gustavo M.; McDowell, David L.

The number of cycles required to form and grow microstructurally small fatigue cracks in metals exhibits substantial variability, particularly for low applied strain amplitudes. This variability is commonly attributed to the heterogeneity of cyclic plastic deformation within the microstructure, and presents a challenge to minimum life design of fatigue resistant components. Our paper analyzes sources of variability that contribute to the driving force of transgranular fatigue cracks within nucleant grains. We also employ crystal plasticity finite element simulations that explicitly render the polycrystalline microstructure and Fatigue Indicator Parameters (FIPs) averaged over different volume sizes and shapes relative to the anticipatedmore » fatigue damage process zone. Volume averaging is necessary to both achieve description of a finite fatigue damage process zone and to regularize mesh dependence in simulations. Furthermore, results from constant amplitude remote applied straining are characterized in terms of the extreme value distributions of volume averaged FIPs. Grain averaged FIP values effectively mitigate mesh sensitivity, but they smear out variability within grains. Furthermore, volume averaging over bands that encompass critical transgranular slip planes appear to present the most attractive approach to mitigate mesh sensitivity while preserving variability within grains.« less

Microstructure and mesh sensitivities of mesoscale surrogate driving force measures for transgranular fatigue cracks in polycrystals

DOE PAGES

Castelluccio, Gustavo M.; McDowell, David L.

2015-05-22

The number of cycles required to form and grow microstructurally small fatigue cracks in metals exhibits substantial variability, particularly for low applied strain amplitudes. This variability is commonly attributed to the heterogeneity of cyclic plastic deformation within the microstructure, and presents a challenge to minimum life design of fatigue resistant components. Our paper analyzes sources of variability that contribute to the driving force of transgranular fatigue cracks within nucleant grains. We also employ crystal plasticity finite element simulations that explicitly render the polycrystalline microstructure and Fatigue Indicator Parameters (FIPs) averaged over different volume sizes and shapes relative to the anticipatedmore » fatigue damage process zone. Volume averaging is necessary to both achieve description of a finite fatigue damage process zone and to regularize mesh dependence in simulations. Furthermore, results from constant amplitude remote applied straining are characterized in terms of the extreme value distributions of volume averaged FIPs. Grain averaged FIP values effectively mitigate mesh sensitivity, but they smear out variability within grains. Furthermore, volume averaging over bands that encompass critical transgranular slip planes appear to present the most attractive approach to mitigate mesh sensitivity while preserving variability within grains.« less

Investigation of the Microstructural Changes and Hardness Variations of Sub-Zero Treated Cr-V Ledeburitic Tool Steel Due to the Tempering Treatment

NASA Astrophysics Data System (ADS)

Jurči, Peter; Dománková, Mária; Ptačinová, Jana; Pašák, Matej; Kusý, Martin; Priknerová, Petra

2018-03-01

The microstructure and tempering response of Cr-V ledeburitic steel Vanadis 6 subjected to sub-zero treatment at - 196 °C for 4 h have been examined with reference to the same steel after conventional heat treatment. The obtained experimental results infer that sub-zero treatment significantly reduces the retained austenite amount, makes an overall refinement of microstructure, and induces a significant increase in the number and population density of small globular carbides with a size 100-500 nm. At low tempering temperatures, the transient M3C-carbides precipitated, whereas their number was enhanced by sub-zero treatment. The presence of chromium-based M7C3 precipitates was evidenced after tempering at the temperature of normal secondary hardening; this phase was detected along with the M3C. Tempering above 470 °C converts almost all the retained austenite in conventionally quenched specimens while the transformation of retained austenite is rather accelerated in sub-zero treated material. As a result of tempering, a decrease in the population density of small globular carbides was recorded; however, the number of these particles retained much higher in sub-zero treated steel. Elevated hardness of sub-zero treated steel can be referred to more completed martensitic transformation and enhanced number of small globular carbides; this state is retained up to a tempering temperature of around 500 °C in certain extent. Correspondingly, lower as-tempered hardness of sub-zero treated steel tempered above 500 °C is referred to much lower contribution of the transformation of retained austenite, and to an expectedly lower amount of precipitated alloy carbides.

Measuring small compartment dimensions by probing diffusion dynamics via Non-uniform Oscillating-Gradient Spin-Echo (NOGSE) NMR.

PubMed

Shemesh, Noam; Alvarez, Gonzalo A; Frydman, Lucio

2013-12-01

Noninvasive measurements of microstructure in materials, cells, and in biological tissues, constitute a unique capability of gradient-assisted NMR. Diffusion-diffraction MR approaches pioneered by Callaghan demonstrated this ability; Oscillating-Gradient Spin-Echo (OGSE) methodologies tackle the demanding gradient amplitudes required for observing diffraction patterns by utilizing constant-frequency oscillating gradient pairs that probe the diffusion spectrum, D(ω). Here we present a new class of diffusion MR experiments, termed Non-uniform Oscillating-Gradient Spin-Echo (NOGSE), which dynamically probe multiple frequencies of the diffusion spectral density at once, thus affording direct microstructural information on the compartment's dimension. The NOGSE methodology applies N constant-amplitude gradient oscillations; N-1 of these oscillations are spaced by a characteristic time x, followed by a single gradient oscillation characterized by a time y, such that the diffusion dynamics is probed while keeping (N-1)x+y≡TNOGSE constant. These constant-time, fixed-gradient-amplitude, multi-frequency attributes render NOGSE particularly useful for probing small compartment dimensions with relatively weak gradients - alleviating difficulties associated with probing D(ω) frequency-by-frequency or with varying relaxation weightings, as in other diffusion-monitoring experiments. Analytical descriptions of the NOGSE signal are given, and the sequence's ability to extract small compartment sizes with a sensitivity towards length to the sixth power, is demonstrated using a microstructural phantom. Excellent agreement between theory and experiments was evidenced even upon applying weak gradient amplitudes. An MR imaging version of NOGSE was also implemented in ex vivo pig spinal cords and mouse brains, affording maps based on compartment sizes. The effects of size distributions on NOGSE are also briefly analyzed. Copyright © 2013 Elsevier Inc. All rights reserved.

Microstructural characterization of hydrogen induced cracking in TRIP-assisted steel by EBSD

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

Laureys, A., E-mail: Aurelie.Laureys@UGent.be; Depover, T.; Petrov, R.

2016-02-15

The present work evaluates hydrogen induced cracking by performing an elaborate EBSD (Electron BackScatter Diffraction) study in a steel with transformation induced plasticity (TRIP-assisted steel). This type of steel exhibits a multiphase microstructure which undergoes a deformation induced phase transformation. Additionally, each microstructural constituent displays a different behavior in the presence of hydrogen. The aim of this study is to obtain a better understanding on the mechanisms governing hydrogen induced crack initiation and propagation in the hydrogen saturated multiphase structure. Tensile tests on notched samples combined with in-situ electrochemical hydrogen charging were conducted. The tests were interrupted at stresses justmore » after reaching the tensile strength, i.e. before macroscopic failure of the material. This allowed to study hydrogen induced crack initiation and propagation by SEM (Scanning Electron Microscopy) and EBSD. A correlation was found between the presence of martensite, which is known to be very susceptible to hydrogen embrittlement, and the initiation of hydrogen induced cracks. Initiation seems to occur mostly by martensite decohesion. High strain regions surrounding the hydrogen induced crack tips indicate that further crack propagation may have occurred by the HELP (hydrogen-enhanced localized plasticity) mechanism. Small hydrogen induced cracks located nearby the notch are typically S-shaped and crack propagation was dominantly transgranularly. The second stage of crack propagation consists of stepwise cracking by coalescence of small hydrogen induced cracks. - Highlights: • Hydrogen induced cracking in TRIP-assisted steel is evaluated by EBSD. • Tensile tests were conducted on notched hydrogen saturated samples. • Crack initiation occurs by a H-Enhanced Interface DEcohesion (HEIDE) mechanism. • Crack propagation involves growth and coalescence of small cracks. • Propagation is governed by the characteristics of phases on the crack path.« less

Power of Ultra Performance Liquid Chromatography/Electrospray Ionization-MS Reconstructed Ion Chromatograms in the Characterization of Small Differences in Polymer Microstructure.

PubMed

Epping, Ruben; Panne, Ulrich; Falkenhagen, Jana

2018-03-06

From simple homopolymers to functionalized, 3-dimensional structured copolymers, the complexity of polymeric materials has become more and more sophisticated. With new applications, for instance, in the semiconductor or pharmaceutical industry, the requirements for the characterization have risen with the complexity of the used polymers. For each additional distribution, an additional dimension in analysis is needed. Small, often isomeric heterogeneities in topology or microstructure can usually not be simply separated chromatographically or distinguished by any common detector but affect the properties of materials significantly. For a drug delivery system, for example, the degree of branching and branching distribution is crucial for the formation of micelles. Instead of a complicated, time-consuming, and/or expensive 2D-chromatography or ion mobility spectrometry (IMS) method, that also has its limitations, in this work, a simple approach using size exclusion chromatography (SEC) coupled with electrospray ionization (ESI) mass spectrometry is proposed. The online coupling allows the analysis of reconstructed ion chromatograms (RICs) of each degree of polymerization. While a complete separation often cannot be achieved, the derived retention times and peak widths lead to information on the existence and dispersity of heterogeneities. Although some microstructural heterogeneities like short chain branching can for large polymers be characterized with methods such as light scattering, for oligomers where the heterogeneities just start to form and their influence is at the maximum, they are inaccessible with these methods. It is also shown that with a proper calibration even quantitative information can be obtained. This method is suitable to detect small differences in, e.g., branching, 3D-structure, monomer sequence, or tacticity and could potentially be used in routine analysis to quickly determine deviations.

Inertial shear flow of assemblies of frictionless polygons: Rheology and microstructure.

PubMed

Azéma, Émilien; Radjaï, Farhang; Roux, Jean-Noël

2018-01-05

Motivated by the understanding of shape effects in granular materials, we numerically investigate the macroscopic and microstructural properties of anisotropic dense assemblies of frictionless polydisperse rigid pentagons in shear flow, and compare them with similar systems of disks. Once subjected to large cumulative shear strains their rheology and microstructure are investigated in uniform steady states, depending on inertial number I, which ranges from the quasistatic limit ([Formula: see text]) to 0.2. In the quasistatic limit both systems are devoid of Reynolds dilatancy, i.e., flow at their random close packing density. Both macroscopic friction angle [Formula: see text], an increasing function of I , and solid fraction [Formula: see text], a decreasing function of I, are larger with pentagons than with disks at small I, but the differences decline for larger I and, remarkably, nearly vanish for [Formula: see text]. Under growing I , the depletion of contact networks is considerably slower with pentagons, in which increasingly anisotropic, but still well-connected force-transmitting structures are maintained throughout the studied range. Whereas contact anisotropy and force anisotropy contribute nearly equally to the shear strength in disk assemblies, the latter effect dominates with pentagons at small I, while the former takes over for I of the order of 10 -2 . The size of clusters of grains in side-to-side contact, typically comprising more than 10 pentagons in the quasistatic limit, very gradually decreases for growing I.

Enigmatic Fossils from the Lower Carboniferous Shrimp Bed, Granton, Scotland.

PubMed

Zapalski, Mikołaj K; Clarkson, Euan N K

2015-01-01

The Lower Carboniferous (Visean) Granton Lagerstätte (Edinburgh, Scotland) is principally known for the discovery of the conodont animal, but has also yielded numerous crustaceans and other faunas. Here we report on small branching colonies, reaching 10 mm in length. They are small, erect, arborescent, and irregularly branched with predominant monopodial and dichotomous growth. They bud in a single plane. In one specimen the wall microstructure is well preserved and it is composed of evenly spaced, linear fibers, running parallel to the axis of the stems, and connected by transverse bars. We discuss possible biological affinities of these organisms; we consider algal, poriferan, hydrozoan and bryozoan affinities. The general pattern of branching, presence of fan-like structures (interpreted here as possible gonophores) and microstructure suggests affinity to Hydrozoa, affinity to non-calcifying algae is less likely. Assuming hydrozoan nature; the microstructure might suggest affinities with the extant family Solanderiidae Marshall, 1892 that possess an internal chitinous skeleton. The EDS analysis shows that fossils discussed here are preserved as phosphates. The skeletons were probably not mineralized, the presence of phosphorus suggests that the colonies were originally composed of chitin. We describe these organisms as Caledonicratis caridum gen. et sp. nov. (Solanderiidae?, Capitata?). Colonies of C. caridum gen et. sp. nov. sometimes encrust the exuviae of crustaceans, which very probably lived in fresh to brackish water thus indicating a likely habitat of Caledonicratis.

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

Viani, Alberto, E-mail: viani@itam.cas.cz; Sotiriadis, Konstantinos; Len, Adél

Full characterization of fired-clay bricks is crucial for the improvement of process variables in manufacturing and, in case of old bricks, for restoration/replacement purposes. To this aim, five bricks produced in a plant in Czech Republic in the past have been investigated with a combination of analytical techniques in order to derive information on the firing process. An additional old brick from another brickyard was also used to study the influence of different raw materials on sample microstructure. The potential of X-ray diffraction with the Rietveld method and small angle neutron scattering technique has been exploited to describe the phasemore » transformations taking place during firing and characterize the brick microstructure. Unit-cell parameter of spinel and amount of hematite are proposed as indicators of the maximum firing temperature, although for the latter, limited to bricks produced from the same raw material. The fractal quality of the surface area of pores obtained from small angle neutron scattering is also suggested as a method to distinguish between bricks produced from different raw clays. - Highlights: • Rietveld method helps in describing microstructure and physical properties of bricks. • XRPD derived cell parameter of spinel is proposed as an indicator of firing temperature. • SANS effectively describes brick micro and nanostructure, including closed porosity. • Fractal quality of pore surface is proposed as ‘fingerprint’ of brick manufacturing.« less

Effect of interfacial composition and crumbliness on aroma release in soy protein/sugar beet pectin mixed emulsion gels.

PubMed

Hou, Jun-Jie; Guo, Jian; Wang, Jin-Mei; Yang, Xiao-Quan

2016-10-01

In this study, soy protein isolate/sugar beet pectin (SPI/SBP) emulsion gels were prepared through an enzymatic gelation process. The effects of emulsifier (SBP, SPI or SPI/SBP complex) and emulsification process on the microstructure, texture, breakdown properties and aroma release behavior of resulting emulsion gels were investigated. Oil emulsification by SBP/SPI complex resulted in a higher amount of emulsifier absorbing on the oil-water interface than by SBP and SPI alone, indicating that a more compact interfacial network was formed. Flocculation of oil droplets was observed and corresponding emulsion gels exhibited lower fracture force and strain when the oil was emulsified by SPI and SBP/SPI complex. Moreover, emulsion gels with small droplets produced a greater quantity of small fragments after mastication. However, microstructure did not have a significant effect on breakdown properties of emulsion gels. Headspace gas chromatography analysis showed that the release rate of ethyl butyrate before and after mastication was significantly lower in emulsion gel with more compact network, but the release of aroma compounds with higher hydrophobicity did not show a significant influence of the microstructure and texture of emulsion gel. This finding provides a useful application for designing semi-solid foods with desirable flavor perception. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

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 Microstructural Evolution of Fatigue Cracks in FCC Metals

NASA Astrophysics Data System (ADS)

Gross, David William

The microstructural evolution during fatigue crack propagation was investigated in a variety of planar and wavy slip FCC metals. The planar materials included Haynes 230, Nitronic 40, and 316 stainless steel, and the wavy materials included pure nickel and pure copper. Three different sets of experiments were performed to fully characterize the microstructural evolution. The first, performed on Haynes 230, mapped the strain field ahead a crack tip using digital image correlation and electron backscatter diffraction techniques. Focused ion beam (FIB) lift-out techniques were then utilized to extract transmission electron microscopy (TEM) samples at specific distances from the crack tip. TEM investigations compared the measured strain to the microstructure. Overall, the strain measured via DIC and EBSD was only weakly correlated to the density of planar slip bands in the microstructure. The second set of experiments concerned the dislocation structure around crack tips. This set of experiments was performed on all the materials. The microstructure at arrested fatigue cracks on the free surface was compared to the microstructure found beneath striations on the fracture surfaces by utilizing FIB micromachining to create site-specific TEM samples. The evolved microstructure depended on the slip type. Strong agreement was found between the crack tip microstructure at the free surface and the fracture surface. In the planar materials, the microstructure in the plastic zone consisted of bands of dislocations or deformation twins, before transitioning to a refined sub-grain microstructure near the crack flank. The sub-grain structure extended 300-500 nm away from the crack flank in all the planar slip materials studied. In contrast, the bulk structure in the wavy slip material consisted of dislocation cells and did not transition to a different microstructure as the crack tip was approached. The strain in wavy slip was highest near the crack tip, as the misorientations between the dislocation cells increased and the cell size decreased as the crack flank was approached. The final set of experiments involved reloading the arrested crack tips in monotonic tension. This was performed on both the Haynes 230 and 316 stainless steel. This technique exposed the fracture surface and location of the arrested crack tip away from the free surface, allowing for a sample to be extracted via FIB micromachining and TEM evaluation of the microstructure. This permitted the crack tip microstructure to be investigated without exposing the microstructure to crack closure or free surface effects. These experiments confirmed what was inferred from the earlier experiments, namely that the banded structure was a product of the crack tip plastic zone and the refined structure was a product of the strain associated with crack advance. Overall the microstructural complexity presented in this work was much higher than would be predicted by current models of fatigue crack propagation. It is recommended that future models attempt to simulate interactions between the dislocations emitted during fatigue crack growth and the pre-existing microstructure to more accurately simulate the processes occurring at the crack tip during crack growth.

Snow Microwave Radiative Transfer (SMRT): A new model framework to simulate snow-microwave interactions for active and passive remote sensing applications

NASA Astrophysics Data System (ADS)

Loewe, H.; Picard, G.; Sandells, M. J.; Mätzler, C.; Kontu, A.; Dumont, M.; Maslanka, W.; Morin, S.; Essery, R.; Lemmetyinen, J.; Wiesmann, A.; Floury, N.; Kern, M.

2016-12-01

Forward modeling of snow-microwave interactions is widely used to interpret microwave remote sensing data from active and passive sensors. Though different models are yet available for that purpose, a joint effort has been undertaken in the past two years within the ESA Project "Microstructural origin of electromagnetic signatures in microwave remote sensing of snow". The new Snow Microwave Radiative Transfer (SMRT) model primarily facilitates a flexible treatment of snow microstructure as seen by X-ray tomography and seeks to unite respective advantages of existing models. In its main setting, SMRT considers radiation transfer in a plane-parallel snowpack consisting of homogeneous layers with a layer microstructure represented by an autocorrelation function. The electromagnetic model, which underlies permittivity, absorption and scattering calculations within a layer, is based on the improved Born approximation. The resulting vector-radiative transfer equation in the snowpack is solved using spectral decomposition of the discrete ordinates discretization. SMRT is implemented in Python and employs an object-oriented, modular design which intends to i) provide an intuitive and fail-safe API for basic users ii) enable efficient community developments for extensions (e.g. for improvements of sub-models for microstructure, permittivity, soil or interface reflectivity) from advanced users and iii) encapsulate the numerical core which is maintained by the developers. For cross-validation and inter-model comparison, SMRT implements various ingredients of existing models as selectable options (e.g. Rayleigh or DMRT-QCA phase functions) and shallow wrappers to invoke legacy model code directly (MEMLS, DMRT-QMS, HUT). In this paper we give an overview of the model components and show examples and results from different validation schemes.

Modelling of stamping of DP steel automotive part accounting for the effect of hard components in the microstructure

NASA Astrophysics Data System (ADS)

Ambrozinski, Mateusz; Bzowski, Krzysztof; Mirek, Michal; Rauch, Lukasz; Pietrzyk, Maciej

2013-05-01

The paper presents simulations of the manufacturing of the automotive part, which has high influence on improvement of passengers safety. Two approaches to the Finite Element (FE) modelling of stamping of a part that provides extra stiffening of construction subassemblies in the back of a car were considered. The first is conventional simulation, which assumes that the material is a continuum with flow stress model and anisotropy coefficients determined from the tensile tests. In the second approach two-phase microstructure of the DP steel is accounted for in simulations. The FE2 method, which belongs to upscaling techniques, is used. Representative Volume Element (RVE), which is the basis of the upscaling approach and reflects the real microstructure, was obtained by the image analysis of the micrograph of the DP steel. However, since FE2 simulations with the real picture of the microstructure in the micro scale, are extremely time consuming, the idea of the Statistically Similar Representative Volume Element (SSRVE) was applied. SSRVE obtained for the DP steel, used for production of automotive part, is presented in the paper in the form of 3D inclusion. The macro scale model of the simulated part is described in details, as well as the results obtained for macro and micro-macro simulations.

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.

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

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

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