Pin Tool Geometry Effects in Friction Stir Welding

NASA Technical Reports Server (NTRS)

Querin, J. A.; Rubisoff, H. A.; Schneider, J. A.

2009-01-01

In friction stir welding (FSW) there is significant evidence that material can take one of two different flow paths when being displaced from its original position in front of the pin tool to its final position in the wake of the weld. The geometry of the pin tool, along with the process parameters, plays an important role in dictating the path that the material takes. Each flow path will impart a different thermomechanical history on the material, consequently altering the material microstructure and subsequent weld properties. The intention of this research is to isolate the effect that different pin tool attributes have on the flow paths imparted on the FSWed material. Based on published weld tool geometries, a variety of weld tools were fabricated and used to join AA2219. Results from the tensile properties and microstructural characterization will be presented.

Interfacial Microstructure Evolution due to Strain Path Changes in Sliding Contacts.

PubMed

Eder, Stefan J; Cihak-Bayr, Ulrike; Gachot, Carsten; Rodriguez Ripoll, Manel

2018-06-22

We performed large-scale molecular dynamics (MD) simulations to study the transient softening stage that has been observed experimentally in sliding interfaces subject to strain path changes. The occurrence of this effect can be of crucial importance for the energy efficiency and wear resistance of systems that experience changes in sliding direction, such as bearings or gears in wind parks, piston rings in combustion engines, or wheel--rail contacts for portal cranes. We therefore modeled the sliding of a rough counterbody against two polycrystalline substrates of fcc copper and bcc iron with initial near-surface grain sizes of 40 nm. The microstructural development of these substrates was monitored and quantified as a function of time, depth, and applied pressure during unidirectional sliding for 7 ns. The results were then compared to the case of sliding in one direction for 5 ns and reversing the sliding direction for an additional 2 ns. We observed the generation of partial dislocations, grain refinement and rotation, as well as twinning (for fcc) in the near-surface region. All microstructures were increasingly affected by these processes when maintaining the sliding direction, but recovered to a great extent upon sliding reversal up to applied pressures of 0.4 GPa in the case of fcc Cu and 1.5 GPa for bcc Fe. We discuss the applicability and limits of our polycrystalline MD model for reproducing well-known bulk phenomena such as the Bauschinger effect in interfacial processes.

Prediction of Fracture Behavior in Rock and Rock-like Materials Using Discrete Element Models

NASA Astrophysics Data System (ADS)

Katsaga, T.; Young, P.

2009-05-01

The study of fracture initiation and propagation in heterogeneous materials such as rock and rock-like materials are of principal interest in the field of rock mechanics and rock engineering. It is crucial to study and investigate failure prediction and safety measures in civil and mining structures. Our work offers a practical approach to predict fracture behaviour using discrete element models. In this approach, the microstructures of materials are presented through the combination of clusters of bonded particles with different inter-cluster particle and bond properties, and intra-cluster bond properties. The geometry of clusters is transferred from information available from thin sections, computed tomography (CT) images and other visual presentation of the modeled material using customized AutoCAD built-in dialog- based Visual Basic Application. Exact microstructures of the tested sample, including fractures, faults, inclusions and void spaces can be duplicated in the discrete element models. Although the microstructural fabrics of rocks and rock-like structures may have different scale, fracture formation and propagation through these materials are alike and will follow similar mechanics. Synthetic material provides an excellent condition for validating the modelling approaches, as fracture behaviours are known with the well-defined composite's properties. Calibration of the macro-properties of matrix material and inclusions (aggregates), were followed with the overall mechanical material responses calibration by adjusting the interfacial properties. The discrete element model predicted similar fracture propagation features and path as that of the real sample material. The path of the fractures and matrix-inclusion interaction was compared using computed tomography images. Initiation and fracture formation in the model and real material were compared using Acoustic Emission data. Analysing the temporal and spatial evolution of AE events, collected during the sample testing, in relation to the CT images allows the precise reconstruction of the failure sequence. Our proposed modelling approach illustrates realistic fracture formation and growth predictions at different loading conditions.

Solidification Sequence of Spray-Formed Steels

NASA Astrophysics Data System (ADS)

Zepon, Guilherme; Ellendt, Nils; Uhlenwinkel, Volker; Bolfarini, Claudemiro

2016-02-01

Solidification in spray-forming is still an open discussion in the atomization and deposition area. This paper proposes a solidification model based on the equilibrium solidification path of alloys. The main assumptions of the model are that the deposition zone temperature must be above the alloy's solidus temperature and that the equilibrium liquid fraction at this temperature is reached, which involves partial remelting and/or redissolution of completely solidified droplets. When the deposition zone is cooled, solidification of the remaining liquid takes place under near equilibrium conditions. Scanning electron microscopy (SEM) and optical microscopy (OM) were used to analyze the microstructures of two different spray-formed steel grades: (1) boron modified supermartensitic stainless steel (SMSS) and (2) D2 tool steel. The microstructures were analyzed to determine the sequence of phase formation during solidification. In both cases, the solidification model proposed was validated.

Texture developed during deformation of Transformation Induced Plasticity (TRIP) steels

NASA Astrophysics Data System (ADS)

Bhargava, M.; Shanta, C.; Asim, T.; Sushil, M.

2015-04-01

Automotive industry is currently focusing on using advanced high strength steels (AHSS) due to its high strength and formability for closure applications. Transformation Induced Plasticity (TRIP) steel is promising material for this application among other AHSS. The present work is focused on the microstructure development during deformation of TRIP steel sheets. To mimic complex strain path condition during forming of automotive body, Limit Dome Height (LDH) tests were conducted and samples were deformed in servo hydraulic press to find the different strain path. FEM Simulations were done to predict different strain path diagrams and compared with experimental results. There is a significant difference between experimental and simulation results as the existing material models are not applicable for TRIP steels. Micro texture studies were performed on the samples using EBSD and X-RD techniques. It was observed that austenite is transformed to martensite and texture developed during deformation had strong impact on limit strain and strain path.

Transformation of BCC and B2 High Temperature Phases to HCP and Orthorhombic Structures in the Ti-Al-Nb System. Part II: Experimental TEM Study of Microstructures

PubMed Central

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

1993-01-01

Possible transformation paths that involve no long range diffusion and their corresponding microstructural details were predicted by Bendersky, Roytburd, and Boettinger [J. Res. Natl. Inst. Stand. Technol. 98, 561 (1993)] for Ti-Al-Nb alloys cooled from the high temperature BCC/B2 phase field into close-packed orthorhombic or hexagonal phase fields. These predictions were based on structural and symmetry relations between the known phases. In the present paper experimental TEM results show that two of the predicted transformation paths are indeed followed for different alloy compositions. For Ti-25Al-12.5Nb (at%), the path includes the formation of intermediate hexagonal phases, A3 and DO19, and subsequent formation of a metastable domain structure of the low-temperature O phase. For alloys close to Ti-25Al-25Nb (at%), the path involves an intermediate B19 structure and subsequent formation of a translational domain structure of the O phase. The path selection depends on whether B2 order forms in the high temperature cubic phase prior to transformation to the close-packed structure. The paper also analyzes the formation of a two-phase modulated microstructure during long term annealing at 700 °C. The structure forms by congruent ordering of the DO19 phase to the O phase, and then reprecipitation of the DO19 phase, possibly by a spinodal mechanism. The thermodynamics underlying the path selection and the two-phase formation are also discussed. PMID:28053488

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.

Capturing the Complexity of Additively Manufactured Microstructures

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

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

2016-05-12

The underlying mechanisms and kinetics controlling damage nucleation and growth as a function of material microstructure and loading paths are discussed. These experiments indicate that structural features such as grain boundaries, grain size distribution, grain morphology crystallographic texture are all factors that influence mechanical behavior.

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

Effect of deformation path on microstructure, microhardness and texture evolution of interstitial free steel fabricated by differential speed rolling

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

Hamad, Kotiba; Chung, Bong Kwon; Ko, Young Gun, E-mail: younggun@ynu.ac.kr

2014-08-15

This paper reports the effect of the deformation path on the microstructure, microhardness, and texture evolution of interstitial free (IF) steel processed by differential speed rolling (DSR) method. For this purpose, total height reductions of 50% and 75% were imposed on the samples by a series of differential speed rolling operations with various height reductions per pass (deformation levels) ranging from 10 to 50% under a fixed roll speed ratio of 1:4 for the upper and lower rolls, respectively. Microstructural observations using transmission electron microscopy and electron backscattered diffraction measurements showed that the samples rolled at deformation level of 50%more » had the finest mean grain size (∼ 0.5 μm) compared to the other counterparts; also the samples rolled at deformation level of 50% showed a more uniform microstructure. Based on the microhardness measurements along the thickness direction of the deformed samples, gradual evolution of the microhardness value and its homogeneity was observed with the increase of the deformation level per pass. Texture analysis showed that, as the deformation level per pass increased, the fraction of alpha fiber and gamma fiber in the deformed samples increased. The textures obtained by the differential speed rolling process under the lubricated condition would be equivalent to those obtained by the conventional rolling. - Highlights: • Effect of DSR deformation path on microstructure of IF steel is significant. • IF steel rolled at deformation level of 50% has the ultrafine grains of ∼ 0.5 μm. • Rolling texture components are pronounced with increasing deformation level.« less

Application of a dislocation based model for Interstitial Free (IF) steels to typical stamping simulations

NASA Astrophysics Data System (ADS)

Carvalho Resende, T.; Balan, T.; Abed-Meraim, F.; Bouvier, S.; Sablin, S.-S.

2010-06-01

With a view to environmental, economic and safety concerns, car manufacturers need to design lighter and safer vehicles in ever shorter development times. In recent years, High Strength Steels (HSS) like Interstitial Free (IF) steels which have higher ratios of yield strength to elastic modulus, are increasingly used for sheet metal parts in automotive industry to meet the demands. Moreover, the application of sheet metal forming simulations has proven to be beneficial to reduce tool costs in the design stage and to optimize current processes. The Finite Element Method (FEM) is quite successful to simulate metal forming processes but accuracy largely depends on the quality of the material properties provided as input to the material model. Common phenomenological models roughly consist in the fitting of functions on experimental results and do not provide any predictive character for different metals from the same grade. Therefore, the use of accurate plasticity models based on physics would increase predictive capability, reduce parameter identification cost and allow for robust and time-effective finite element simulations. For this purpose, a 3D physically based model at large strain with dislocation density evolution approach was presented in IDDRG2009 by the authors [1]. This model allows the description of work-hardening's behavior for different loading paths (i.e. uni-axial tensile, simple shear and Bauschinger tests) taking into account several data from microstructure (i.e. grain size, texture, etc…). The originality of this model consists in the introduction of microstructure data in a classical phenomenological model in order to achieve work-hardening's predictive character for different metals from the same grade. Indeed, thanks to a microstructure parameter set for an Interstitial Free steel, it is possible to describe work-hardening behavior for different loading paths of other IF steels by only changing the mean grain size and the chemical composition. During sheet metal forming processes local material points may experience multi-axial and multi-path loadings. Before simulating actual industrial parts, automotive manufacturers use validation tools—e.g. the Cross-Die stamping test. Such typical stamping tests enable the evaluation of a complex distribution of strains. The work described is an implementation [2] of a 3D dislocation based model in ABAQUS/Explicit and its validation on a Finite Element (FE) Cross-Die model. In order to assess the performance and relevance of the 3D dislocation based model in the simulation of industrial forming applications, the results of thinning profiles predicted along several directions and the strain distribution were obtained and compared with experimental results for IF steels with grain sizes varying in the 8-22 μm value range.

Metastable solidification of hypereutectic Co 2Si-CoSi composition: Microstructural studies and in-situ observations

DOE PAGES

Wang, Yeqing; Gao, Jianrong; Kolbe, Matthias; ...

2017-09-18

Metastable solidification of undercooled Co 60Si 40 melts was investigated by microstructural studies and in-situ high-energy X-ray diffraction. Five solidification paths were identified. Three of them were observed at low undercoolings, which show uncoupled and coupled growth of stable β-Co 2Si and CoSi compounds. The other paths were observed at high undercoolings, which show peritectic and primary crystallization of a metastable Co 5Si 3 compound. The β-Co 2Si and Co 5Si 3 compounds crystallize into a hexagonal crystal structure and experience solid-state decomposition. Microstructure formation depends on solidification path. The coupled and uncoupled growth of the stable compounds produces amore » regular lamellar eutectic structure and an anomalous eutectic structure, respectively. The crystallization and solid-state decomposition of the metastable Co 5Si 3 compound brings about a fine-grained two-phase mixture, which represents another type of anomalous eutectic structure. Here, the results provide proof of two rare mechanisms of anomalous eutectic formation and shed light onto metastable phase relations in the undercooled region of the Co-Si system.« less

Metastable solidification of hypereutectic Co 2Si-CoSi composition: Microstructural studies and in-situ observations

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

Wang, Yeqing; Gao, Jianrong; Kolbe, Matthias

Metastable solidification of undercooled Co 60Si 40 melts was investigated by microstructural studies and in-situ high-energy X-ray diffraction. Five solidification paths were identified. Three of them were observed at low undercoolings, which show uncoupled and coupled growth of stable β-Co 2Si and CoSi compounds. The other paths were observed at high undercoolings, which show peritectic and primary crystallization of a metastable Co 5Si 3 compound. The β-Co 2Si and Co 5Si 3 compounds crystallize into a hexagonal crystal structure and experience solid-state decomposition. Microstructure formation depends on solidification path. The coupled and uncoupled growth of the stable compounds produces amore » regular lamellar eutectic structure and an anomalous eutectic structure, respectively. The crystallization and solid-state decomposition of the metastable Co 5Si 3 compound brings about a fine-grained two-phase mixture, which represents another type of anomalous eutectic structure. Here, the results provide proof of two rare mechanisms of anomalous eutectic formation and shed light onto metastable phase relations in the undercooled region of the Co-Si system.« less

A model for the progressive failure of laminated composite structural components

NASA Technical Reports Server (NTRS)

Allen, D. H.; Lo, D. C.

1991-01-01

Laminated continuous fiber polymeric composites are capable of sustaining substantial load induced microstructural damage prior to component failure. Because this damage eventually leads to catastrophic failure, it is essential to capture the mechanics of progressive damage in any cogent life prediction model. For the past several years the authors have been developing one solution approach to this problem. In this approach the mechanics of matrix cracking and delamination are accounted for via locally averaged internal variables which account for the kinematics of microcracking. Damage progression is predicted by using phenomenologically based damage evolution laws which depend on the load history. The result is a nonlinear and path dependent constitutive model which has previously been implemented to a finite element computer code for analysis of structural components. Using an appropriate failure model, this algorithm can be used to predict component life. In this paper the model will be utilized to demonstrate the ability to predict the load path dependence of the damage and stresses in plates subjected to fatigue loading.

Microstructural Characterization and Modeling of SLM Superalloy 718

NASA Technical Reports Server (NTRS)

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

2017-01-01

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

Theory, modeling, and simulation of structural and functional materials: Micromechanics, microstructures, and properties

NASA Astrophysics Data System (ADS)

Jin, Yongmei

In recent years, theoretical modeling and computational simulation of microstructure evolution and materials property has been attracting much attention. While significant advances have been made, two major challenges remain. One is the integration of multiple physical phenomena for simulation of complex materials behavior, the other is the bridging over multiple length and time scales in materials modeling and simulation. The research presented in this Thesis is focused mainly on tackling the first major challenge. In this Thesis, a unified Phase Field Microelasticity (PFM) approach is developed. This approach is an advanced version of the phase field method that takes into account the exact elasticity of arbitrarily anisotropic, elastically and structurally inhomogeneous systems. The proposed theory and models are applicable to infinite solids, elastic half-space, and finite bodies with arbitrary-shaped free surfaces, which may undergo various concomitant physical processes. The Phase Field Microelasticity approach is employed to formulate the theories and models of martensitic transformation, dislocation dynamics, and crack evolution in single crystal and polycrystalline solids. It is also used to study strain relaxation in heteroepitaxial thin films through misfit dislocation and surface roughening. Magnetic domain evolution in nanocrystalline thin films is also investigated. Numerous simulation studies are performed. Comparison with analytical predictions and experimental observations are presented. Agreement verities the theory and models as realistic simulation tools for computational materials science and engineering. The same Phase Field Microelasticity formalism of individual models of different physical phenomena makes it easy to integrate multiple physical processes into one unified simulation model, where multiple phenomena are treated as various relaxation modes that together act as one common cooperative phenomenon. The model does not impose a priori constraints on possible microstructure evolution paths. This gives the model predicting power, where material system itself "chooses" the optimal path for multiple processes. The advances made in this Thesis present a significant step forward to overcome the first challenge, mesoscale multi-physics modeling and simulation of materials. At the end of this Thesis, the way to tackle the second challenge, bridging over multiple length and time scales in materials modeling and simulation, is discussed based on connection between the mesoscale Phase Field Microelasticity modeling and microscopic atomistic calculation as well as macroscopic continuum theory.

Preferential paths in yield stress fluid flow through a porous medium

NASA Astrophysics Data System (ADS)

Guasto, Jeffrey; Waisbord, Nicolas; Stoop, Norbert; Dunkel, Jörn

2016-11-01

A broad range of biological, geological, and industrial materials with complex rheological properties are subjected to flow through porous media in applications ranging from oil recovery to food manufacturing. In this experimental study, we examine the flow of a model yield stress fluid (Carbopol micro-gel) through a quasi-2D porous medium, fabricated in a microfluidic channel. The flow is driven by applying a precisely-controlled pressure gradient and measured by particle tracking velocimetry, and our observations are complemented by a pore-network model of the yield stress fluid flow. While remaining unyielded at small applied pressure, the micro-gel begins to yield at a critical pressure gradient, exhibiting a single preferential flow path that percolates through the porous medium. As the applied pressure gradient increases, we observe a subsequent coarsening and invasion of the yielded, fluidized network. An examination of both the yielded network topology and pore-scale flow reveal that two cooperative phenomena are involved in sculpting the preferential flow paths: (1) the geometry of the porous microstructure, and (2) the adhesive surface interactions between the micro-gel and substrate. NSF CBET-1511340.

Verifying and Validating Proposed Models for FSW Process Optimization

NASA Technical Reports Server (NTRS)

Schneider, Judith

2008-01-01

This slide presentation reviews Friction Stir Welding (FSW) and the attempts to model the process in order to optimize and improve the process. The studies are ongoing to validate and refine the model of metal flow in the FSW process. There are slides showing the conventional FSW process, a couple of weld tool designs and how the design interacts with the metal flow path. The two basic components of the weld tool are shown, along with geometries of the shoulder design. Modeling of the FSW process is reviewed. Other topics include (1) Microstructure features, (2) Flow Streamlines, (3) Steady-state Nature, and (4) Grain Refinement Mechanisms

Predictions and Experimental Microstructural Characterization of High Strain Rate Failure Modes in Layered Aluminum Composites

NASA Astrophysics Data System (ADS)

Khanikar, Prasenjit

Different aluminum alloys can be combined, as composites, for tailored dynamic applications. Most investigations pertaining to metallic alloy layered composites, however, have been based on quasi-static approaches. The dynamic failure of layered metallic composites, therefore, needs to be characterized in terms of strength, toughness, and fracture response. A dislocation-density based crystalline plasticity formulation, finite-element techniques, rational crystallographic orientation relations and a new fracture methodology were used to predict the failure modes associated with the high strain rate behavior of aluminum layered composites. Two alloy layers, a high strength alloy, aluminum 2195, and an aluminum alloy 2139, with high toughness, were modeled with representative microstructures that included precipitates, dispersed particles, and different grain boundary (GB) distributions. The new fracture methodology, based on an overlap method and phantom nodes, is used with a fracture criteria specialized for fracture on different cleavage planes. One of the objectives of this investigation, therefore, was to determine the optimal arrangements of the 2139 and 2195 aluminum alloys for a metallic layered composite that would combine strength, toughness and fracture resistance for high strain-rate applications. Different layer arrangements were investigated for high strain-rate applications, and the optimal arrangement was with the high toughness 2139 layer on the bottom, which provided extensive shear strain localization, and the high strength 2195 layer on the top for high strength resistance. The layer thickness of the bottom high toughness layer also affected the bending behavior of the roll-boned interface and the potential delamination of the layers. Shear strain localization, dynamic cracking and delamination were the mutually competing failure mechanisms for the layered metallic composite, and control of these failure modes can be optimized for high strain-rate applications. The second major objective of this investigation was the use of recently developed dynamic fracture formulations to model and analyze the crack nucleation and propagation of aluminum layered composites subjected to high strain rate loading conditions and how microstructural effects, such as precipitates, dispersed particles, and GB orientations affect failure evolution. This dynamic fracture approach is used to investigate crack nucleation and crack growth as a function of the different microstructural characteristics of each alloy in layered composites with and without pre-existing cracks. The zigzag nature of the crack paths were mainly due to the microstructural features, such as precipitates and dispersed particles distributions and orientations ahead of the crack front, and it underscored the capabilities of the fracture methodology. The evolution of dislocation density and the formation of localized shear slip contributed to the blunting of the propagating crack. Extensive geometrical and thermal softening due to the localized plastic slip also affected crack path orientations and directions. These softening mechanisms resulted in the switching of cleavage planes, which affected crack path orientations. Interface delamination can also have an important role in the failure and toughening of the layered composites. Different scenarios of delamination were investigated, such as planar crack growth and crack penetration into the layers. The presence of brittle surface oxide platelets in the interface region also significantly influenced the interface delamination process. Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM) and Optical Microscopy (OM) characterization provided further physical insights and validation of the predictive capabilities. The inherent microstructural features of each alloy play a significant role in the dynamic fracture, shear strain localization, and interface delamination of the layered metallic composite. These microstructural features, such as precipitates, dispersed particles, and GB orientations and distributions can be optimized for desired behavior of metallic composites.

Study on Unit Cell Models and the Effective Thermal Conductivities of Silica Aerogel.

PubMed

Liu, He; Li, Zeng-Yao; Zhao, Xin-Peng; Tao, Wen-Quan

2015-04-01

In this paper, two modified unit cell models, truncated octahedron and cubic array of intersecting square rods with 45-degree rotation, are developed in consideration of the tortuous path of heat conduction in solid skeleton of silica aerogel. The heat conduction is analyzed for each model and the expressions of effective thermal conductivity of the modified unit cell models are derived. Considering the random microstructure of silica aerogel, the probability model is presented. We also discuss the effect of the thermal conductivity of aerogel backbone. The effective thermal conductivities calculated by the proposed probability model are in good agreement with available experimental data when the density of the aerogel is 110 kg/m3.

Hydromechanical behavior of Estaillades carbonate : directional permeability, stress-path and microstructural heterogeneity effects, yield and failure envelopes

NASA Astrophysics Data System (ADS)

Dautriat, J.; Dimanov, A.; Gland, N.; Raphanel, J.

2009-04-01

The influence of stress paths representative of reservoir conditions on the mechanical behavior and the coupled permeability evolutions of a carbonate has been investigated. In order to predict the permeability evolutions under triaxial loading, we have developed a triaxial cell designed to allow the measurements of the permeability in three orthogonal directions, along and transverse to the maximum principal stress direction. A set of core specimens are mechanically loaded following different stress paths characterized by a constant ratio K between horizontal and vertical stress. Our experimental set-up allows the monitoring of the petrophysical and geomechanical parameters during loading, before and post sample damage. The tested rock is an analog reservoir carbonate, the Estaillades Limestone, characterized macroscopically by a porosity around 29% and a moderate permeability around 150mD. From our experimental results, the failure envelope of this carbonate is determined and the evolutions of the directional permeability are examined in the (p',q) diagram. According to the followed stress path, permeability reductions can be limited or drastic. In addition, we have performed microstructural analyses on deformed samples and in-situ observations during loading inside a SEM in order to identify the micromechanisms responsible for the evolutions of porosity and permeability. For instance, we show the importance of local heterogeneities on initiation of damage and of pore collapse. In the near-elastic domain, brittle damage induces limited directional permeability modifications; whereas, at higher stress, depending on the value of K, shear induced dilation or shear induced compaction mechanisms are activated. The highest permeability drop occurred for the hydrostatic compression (K=1), in the compaction regime, characterized by pore collapse mechanisms affecting preferentially the macroporosity. A failure model is proposed and the failure envelope is determined in the (p',q) plane. A new expression of the failure envelope is also discussed which includes a dependency of the deviatoric stress with the stress-path parameter.

Anisotropic failure and size effects in periodic honeycomb materials: A gradient-elasticity approach

NASA Astrophysics Data System (ADS)

Réthoré, Julien; Dang, Thi Bach Tuyet; Kaltenbrunner, Christine

2017-02-01

This paper proposes a fracture mechanics model for the analysis of crack propagation in periodic honeycomb materials. The model is based on gradient-elasticity which enables us to account for the effect of the material structure at the macroscopic scale. For simulating the propagation of cracks along an arbitrary path, the numerical implementation is elaborated based on an extended finite element method with the required level of continuity. The two main features captured by the model are directionality and size effect. The numerical predictions are consistent with experimental results on honeycomb materials but also with results reported in the literature for microstructurally short cracks in metals.

Effects of Strain Path on the Microstructure of Aluminum Alloys During Equal Channel Angular Pressing (ECAP)

DTIC Science & Technology

2007-12-01

processing route at this level. A recent study by Garcia-Infanta, et al., of a hypo- eutectic Al-7%Si alloy with spheroidal primary aluminum grains is a...compared with the model proposed by Garcia-Infanta, et al. [10]. Further, annealing studies will be performed to determine the recrystallization ...study conducted at 450°C as a function of time to assess recrystallization and grain growth. Two data points per sample were taken from different

3-dimensional free standing micro-structures by proton beam writing of Su 8-silver nanoParticle polymeric composite

NASA Astrophysics Data System (ADS)

Igbenehi, H.; Jiguet, S.

2012-09-01

Proton beam lithography a maskless direct-write lithographic technique (well suited for producing 3-Dimensional microstructures in a range of resist and semiconductor materials) is demonstrated as an effective tool in the creation of electrically conductive freestanding micro-structures in an Su 8 + Nano Silver polymer composite. The structures produced show non-ohmic conductivity and fit the percolation theory conduction model of tunneling of separated nanoparticles. Measurements show threshold switching and a change in conductivity of at least 4 orders of magnitude. The predictable range of protons in materials at a given energy is exploited in the creation of high aspect ratio, free standing micro-structures, made from a commercially available SU8 Silver nano-composite (GMC3060 form Gersteltec Inc. a negative tone photo-epoxy with added metallic nano-particles(Silver)) to create films with enhanced electrical properties when exposed and cured. Nano-composite films are directly written on with a finely focused MeV accelerated Proton particle beam. The energy loss of the incident proton beams in the target polymer nano- composite film is concentrated at the end of its range, where damage occurs; changing the chemistry of the nano-composite film via an acid initiated polymerization - creating conduction paths. Changing the energy of the incident beams provide exposed regions with different penetration and damage depth - exploited in the demonstrated cantilever microstructure.

Optimizing the Compressive Strength of Strain-Hardenable Stretch-Formed Microtruss Architectures

NASA Astrophysics Data System (ADS)

Yu, Bosco; Abu Samk, Khaled; Hibbard, Glenn D.

2015-05-01

The mechanical performance of stretch-formed microtrusses is determined by both the internal strut architecture and the accumulated plastic strain during fabrication. The current study addresses the question of optimization, by taking into consideration the interdependency between fabrication path, material properties and architecture. Low carbon steel (AISI1006) and aluminum (AA3003) material systems were investigated experimentally, with good agreement between measured values and the analytical model. The compressive performance of the microtrusses was then optimized on a minimum weight basis under design constraints such as fixed starting sheet thickness and final microtruss height by satisfying the Karush-Kuhn-Tucker condition. The optimization results were summarized as carpet plots in order to meaningfully visualize the interdependency between architecture, microstructural state, and mechanical performance, enabling material and processing path selection.

Twin and habit plane microstructures due to the tetragonal to monoclinic transformation of zirconia

NASA Astrophysics Data System (ADS)

Simha, N. K.

1997-02-01

We first construct Bain strains for the tetragonal to monoclinic ( t → m) transformation of zirconia (ZrO 2), and then examine the resulting twin and habit plane microstructures. The ( t → m) transformation in zirconia occurs via two paths; transformation along path I has two Bain strains that involve shearing of a rectangular face of the tetragonal unit cell, and shearing of the square base corresponds to path II. The monoclinic variants resulting from each of the three Bain strains can form 12 twins, and four of the twins corresponding to path II are neither of type I nor of type II. Habit planes do not exist for the transformation along path I, whereas transformation along path II has: (± 0.8139, ± 0.3898, - 0.4309) t, (± 0.6489, ± 0.6271, - 0.4309) t, (± 0.7804, ± 0.4530, - 0.4309) t. We predict the exact twin planes observed by Bailey [(1964) Phase transformation at high temperatures in hafnia and zirconia. Proc. Roy. Soc.279A, 395-412], Bansal and Heuer [(1972) On a martensitic phase transformation in Zirconia ZrO 2—I. Metallographic evidence. Acta Metall.20, 1281-1289] and Buljan et al. [(1976) Optical and X-ray single crystal studies of the monoclinic ↔ tetragonal transition in ZrO 2. J. Am. Ceram. Soc.59, 351-354]; additional twins and habit planes that we predict have not yet been observed.

Study of grain structure evolution during annealing of a twin-roll-cast Mg alloy

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

Tripathi, A.; Department of Metallurgical Engineering and Materials Science, IIT Bombay; Department of Materials Engineering, Monash University

2016-04-15

The evolution of microstructure under static annealing was studied for mid-thickness section of a twin-roll-cast (TRC) magnesium alloy. Annealing was performed at 300 °C and 500 °C for different times. Microstructural evolution was quantitatively analyzed, from optical micrographs, using grain path envelope analysis. Additional information from electron backscatter diffraction (EBSD) was used for addressing the possible mechanism(s). It was found that the TRC structure had a bimodal grain size, which was preserved even after annealing at 300 °C. However, the annealing at 500 °C led to a unimodal grain size. This difference in the grain size distribution created a contrastingmore » behavior in the normalized standard deviations. This was primarily attributed to a competition between recovery and recrystallization, and their respective dominance at 300° and 500 °C. A deformation induced recrystallization recovery (DIRR) model was proposed. The proposed model could successfully address the experimental microstructural evolution. - Highlights: • Annealing of twin roll cast (TRC) magnesium alloy was done at temperatures of 300 °C and 500 °C. • TRC had bimodal structure. Bimodality preserved for annealing at 300 °C. Annealing at 500 °C led to unimodal structure. • Grain evolution was described based on the competition between recovery and recrystallization. • Deformation induced recrystallization recovery (DIRR) mechanistic model was developed.« less

Microstructure-fatigue crack propagation relationship in TiB{sub 2} particulate reinforced Zn (ZA-8) alloy

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

Hua, W.; Zhang, J.; Wang, Z.

1995-10-01

The relationship between microstructure and propagation behavior of fatigue crack in TiB{sub 2} particulate reinforced ZA-8 Zn alloy and in the corresponding constituent matrix material was studied in three point bending fatigue tests with well-polished and pre-etched specimens. Special attention was paid to the observation of microstructure along the crack path as well as on the fracture surface. Mechanism for the difference in fatigue crack growth behavior of the two materials was investigated. The present results indicate that the addition of reinforcement modified the solidification process of the matrix material leading to a considerable change in the matrix microstructure. Thismore » change in the matrix microstructure and the presence of reinforcing particles considerably affected the fatigue crack propagation behavior in the material.« less

The origins of Asteroidal rock disaggregation: Interplay of thermal fatigue and microstructure

NASA Astrophysics Data System (ADS)

Hazeli, Kavan; El Mir, Charles; Papanikolaou, Stefanos; Delbo, Marco; Ramesh, K. T.

2018-04-01

The distributions of size and chemical composition in regolith on airless bodies provide clues to the evolution of the solar system. Recently, the regolith on asteroid (25143) Itokawa, visited by the JAXA Hayabusa spacecraft, was observed to contain millimeter to centimeter sized particles. Itokawa boulders commonly display well-rounded profiles and surface textures that appear inconsistent with mechanical fragmentation during meteorite impact; the rounded profiles have been hypothesized to arise from rolling and movement on the surface as a consequence of seismic shaking. This investigation provides a possible explanation of these observations by exploring the primary crack propagation mechanism during thermal fatigue of a chondrite. Herein, we present the evolution of the full-field strains on the surface as a function of temperature and microstructure, and examine the crack growth during thermal cycling. Our experimental results demonstrate that thermal-fatigue-driven fracture occurs under these conditions. The results suggest that the primary fatigue crack path preferentially follows the interfaces between monominerals, leaving the minerals themselves intact after fragmentation. These observations are explained through a microstructure-based finite element model that is quantitatively compared with our experimental results. These results on the interactions of thermal fatigue cracking with the microstructure may ultimately allow us to distinguish between thermally induced fragments and impact products.

Relationships Between the Phase Transformation Kinetics, Texture Evolution, and Microstructure Development in a 304L Stainless Steel Under Biaxial Loading Conditions: Synchrotron X-ray and Electron Backscatter Diffraction Studies

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

Cakmak, Ercan; Choo, Hahn; Kang, Jun-Yun

2015-02-11

The relationships between the martensitic phase transformation kinetics, texture evolution, and the microstructure development in the parent austenite phase were studied for a 304L stainless steel that exhibits the transformation-induced plasticity effect under biaxial loading conditions at ambient temperature. The applied loading paths included: pure torsion, simultaneous biaxial torsion/tension, simultaneous biaxial torsion/compression, and stepwise loading of tension followed by torsion (i.e., first loading by uniaxial tension and then by pure torsion in sequence). Synchrotron X-ray and electron backscatter diffraction techniques were used to measure the evolution of the phase fractions, textures, and microstructures as a function of the applied strains.more » The influence of loading character and path on the changes in martensitic phase transformation kinetics is discussed in the context of (1) texture-transformation relationship and the preferred transformation of grains belonging to certain texture components over the others, (2) effects of axial strains on shear band evolutions, and (3) volume changes associated with martensitic transformation.« less

Ultrasonic Sensor Signals and Optimum Path Forest Classifier for the Microstructural Characterization of Thermally-Aged Inconel 625 Alloy

PubMed Central

de Albuquerque, Victor Hugo C.; Barbosa, Cleisson V.; Silva, Cleiton C.; Moura, Elineudo P.; Rebouças Filho, Pedro P.; Papa, João P.; Tavares, João Manuel R. S.

2015-01-01

Secondary phases, such as laves and carbides, are formed during the final solidification stages of nickel-based superalloy coatings deposited during the gas tungsten arc welding cold wire process. However, when aged at high temperatures, other phases can precipitate in the microstructure, like the γ” and δ phases. This work presents an evaluation of the powerful optimum path forest (OPF) classifier configured with six distance functions to classify background echo and backscattered ultrasonic signals from samples of the inconel 625 superalloy thermally aged at 650 and 950 °C for 10, 100 and 200 h. The background echo and backscattered ultrasonic signals were acquired using transducers with frequencies of 4 and 5 MHz. The potentiality of ultrasonic sensor signals combined with the OPF to characterize the microstructures of an inconel 625 thermally aged and in the as-welded condition were confirmed by the results. The experimental results revealed that the OPF classifier is sufficiently fast (classification total time of 0.316 ms) and accurate (accuracy of 88.75% and harmonic mean of 89.52) for the application proposed. PMID:26024416

Ultrasonic sensor signals and optimum path forest classifier for the microstructural characterization of thermally-aged inconel 625 alloy.

PubMed

de Albuquerque, Victor Hugo C; Barbosa, Cleisson V; Silva, Cleiton C; Moura, Elineudo P; Filho, Pedro P Rebouças; Papa, João P; Tavares, João Manuel R S

2015-05-27

Secondary phases, such as laves and carbides, are formed during the final solidification stages of nickel-based superalloy coatings deposited during the gas tungsten arc welding cold wire process. However, when aged at high temperatures, other phases can precipitate in the microstructure, like the γ'' and δ phases. This work presents an evaluation of the powerful optimum path forest (OPF) classifier configured with six distance functions to classify background echo and backscattered ultrasonic signals from samples of the inconel 625 superalloy thermally aged at 650 and 950 °C for 10, 100 and 200 h. The background echo and backscattered ultrasonic signals were acquired using transducers with frequencies of 4 and 5 MHz. The potentiality of ultrasonic sensor signals combined with the OPF to characterize the microstructures of an inconel 625 thermally aged and in the as-welded condition were confirmed by the results. The experimental results revealed that the OPF classifier is sufficiently fast (classification total time of 0.316 ms) and accurate (accuracy of 88.75%" and harmonic mean of 89.52) for the application proposed.

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

Yablinsky, C. A.; Tippey, K. E.; Vaynman, S.

In this study, the development of oxide dispersion strengthened ferrous alloys has shown that microstructures designed for excellent irradiation resistance and thermal stability ideally contain stable nanoscale precipitates and dislocation sinks. Based upon this understanding, the microstructures of conventionally manufactured ferritic and ferritic-martensitic steels can be designed to include controlled volume fractions of fine, stable precipitates and dislocation sinks via specific alloying and processing paths. The concepts proposed here are categorized as advanced high-Cr ferritic-martensitic (AHCr-FM) and novel tailored precipitate ferritic (TPF) steels, which have the potential to improve the in-reactor performance of conventionally manufactured alloys. AHCr-FM steels have modifiedmore » alloy content relative to current reactor materials (such as alloy NF616/P92) to maximize desirable precipitates and control phase stability. TPF steels are designed to incorporate nickel aluminides, in addition to microalloy carbides, in a ferritic matrix to produce fine precipitate arrays with good thermal stability. Both alloying concepts may also benefit from thermomechanical processing to establish dislocation sinks and modify phase transformation behaviors. Alloying and processing paths toward designed microstructures are discussed for both AHCr-FM and TPF material classes.« less

Amphibole equilibria as monitors of P-T path and process in the exhumation of HP/UHP terranes

NASA Astrophysics Data System (ADS)

Waters, David; Airaghi, Laura; Czertowicz, Thomas

2014-05-01

Recent advances in modelling and the development of refined activity-composition relations allow the calculation of phase diagrams involving complex mineral solid solutions, such as calcic, sodic-calcic and sodic amphiboles (e.g. Diener et al., 2007, J metamorphic Geol.). Amphiboles are commonly found in eclogite facies metabasites, and formed at different metamorphic stages. Such rocks commonly show complex reaction microstructures that reveal their history. The focus in this contribution is on two distinct amphibole types: coarse, post-peak matrix amphibole, and amphibole involved in symplectitic microstructures replacing omphacite. These studies serve as a test of the current activity models and calculation approaches, but more importantly as a framework for understanding the processes and P-T path during exhumation of subducted terranes. Examples are taken from the Western Gneiss Complex of Norway and from the Kaghan Valley (Pakistan), but are more generally applicable to crustal blocks that have exhumed through the P-T 'window' in which comparable petrological features develop. The microstructural types of interest here are: broad irregular interstitial amphibole grains, which commonly merge with a coarse spongy intergrowth of amphibole with quartz and/or albite (most likely replacing omphacite); and a fine-grained symplectite of low-Na clinopyroxene with sodic plagioclase and minor hornblende invading omphacite. Many specimens show these varieties as a sequence, inferred to reflect decreasing pressure (and ultimately, temperature). Amphibole compositions cover a wide range: the most sodic occur in large interstitial grains and fall near the junction of the winchite, barroisite and taramite fields of the IMA classification; they trend towards a pargasitic hornblende, still with significant glaucophane component; spongy amphiboles typically lie on a trend towards lower glaucophane component; symplectite amphibole is generally a common hornblende on a typical trend between actinolite and pargasite, with low glaucophane component. Pressures and temperatures for matrix and spongy amphiboles are constrained by mapping phase compositions and proportions on P-T phase diagrams calculated for a range of water contents in bulk rock and local systems. In HP eclogites they define near-isothermal decompression trajectories from ~20 to ~12 kbar at ~630-670°C. Matrix and spongy amphiboles from UHP eclogites lacking significant hydrous minerals require influx of external fluid in the interval 16-12 kbar. In symplectites conditions are derived from an internal equilibrium among amphibole, pyroxene and plagioclase. In a number of cases the variation along lamellae in a symplectite colony defines a P-T array covering ~60°C of cooling over ~3 kbar decompression down to 12-10 kbar. In many cases amphibole development can be linked to both external and local sources of aqueous fluid. Microstructural and chemical evidence links symplectite formation to the breakdown of phengite. The near-isothermal earlier stages of P-T paths in these slices dominated by continental units suggest that exhumation did not take place in a cold subduction channel, but may reflect a post-collisional mechanism. The lower P-T slope of paths associated with later symplectite arrays may reflect the loss of buoyancy contrast as exhuming slices reach crustal levels.

Changes in White Matter Microstructure Impact Cognition by Disrupting the Ability of Neural Assemblies to Synchronize.

PubMed

Bells, Sonya; Lefebvre, Jérémie; Prescott, Steven A; Dockstader, Colleen; Bouffet, Eric; Skocic, Jovanka; Laughlin, Suzanne; Mabbott, Donald J

2017-08-23

Cognition is compromised by white matter (WM) injury but the neurophysiological alterations linking them remain unclear. We hypothesized that reduced neural synchronization caused by disruption of neural signal propagation is involved. To test this, we evaluated group differences in: diffusion tensor WM microstructure measures within the optic radiations, primary visual area (V1), and cuneus; neural phase synchrony to a visual attention cue during visual-motor task; and reaction time to a response cue during the same task between 26 pediatric patients (17/9: male/female) treated with cranial radiation treatment for a brain tumor (12.67 ± 2.76 years), and 26 healthy children (16/10: male/female; 12.01 ± 3.9 years). We corroborated our findings using a corticocortical computational model representing perturbed signal conduction from myelin. Patients show delayed reaction time, WM compromise, and reduced phase synchrony during visual attention compared with healthy children. Notably, using partial least-squares-path modeling we found that WM insult within the optic radiations, V1, and cuneus is a strong predictor of the slower reaction times via disruption of neural synchrony in visual cortex. Observed changes in synchronization were reproduced in a computational model of WM injury. These findings provide new evidence linking cognition with WM via the reliance of neural synchronization on propagation of neural signals. SIGNIFICANCE STATEMENT By comparing brain tumor patients to healthy children, we establish that changes in the microstructure of the optic radiations and neural synchrony during visual attention predict reaction time. Furthermore, by testing the directionality of these links through statistical modeling and verifying our findings with computational modeling, we infer a causal relationship, namely that changes in white matter microstructure impact cognition in part by disturbing the ability of neural assemblies to synchronize. Together, our human imaging data and computer simulations show a fundamental connection between WM microstructure and neural synchronization that is critical for cognitive processing. Copyright © 2017 the authors 0270-6474/17/378227-12$15.00/0.

Constitutive Behavior Modelling of AA1100-O AT Large Strain and High Strain Rates

NASA Astrophysics Data System (ADS)

Testa, Gabriel; Iannitti, Gianluca; Ruggiero, Andrew; Gentile, Domenico; Bonora, Nicola

2017-06-01

Constitutive behavior of AA1100-O, provided as extruded bar, was investigated. Microscopic observation showed that the cross-section has a peculiar microstructure consisting in the inner core with a large grain size surrounded by an external annulus with finer grains. Low and high strain rates tensile tests were carried out at different temperature ranging from -190 ° C to 100 ° C. Constitutive behavior was modelled using a modified version of Rusinek & Klepaczko model. Parameters were calibrated on tensile test results. Tests and numerical simulations of symmetric Taylor (RoR) and dynamic tensile extrusion (DTE) tests at different impact velocities were carried out in order to validate the model under complex deformation paths.

Microstructures and Argon age dating

NASA Astrophysics Data System (ADS)

Forster, Marnie; Fitz Gerald, John; Lister, Gordon

2010-05-01

Microstructures can be dated using 40Ar/39Ar geochronology, but certain conditions apply. In particular the nature of the physical processes that took place during development of need be identified, and the pattern of gas release (and/or retention) during their evolution in nature, and subsequently in the mass spectrometer, during the measurement process. Most researchers cite temperature as the sole variable of importance. There is a belief that there is a single "closure temperature" or a "closure interval" above which the mineral is incapable of retaining radiogenic argon. This is a false conception. Closure is practically relevant only in circumstances that see a rock cooled relatively rapidly from temperatures that were high enough to prevent significant accumulation of radiogenic argon, to temperatures below which there is insignificant loss of radiogenic argon through the remainder of the geological history. These conditions accurately apply only to a limited subset - for example to rocks that cool rapidly from a melt and thereafter remain at or close to the Earth's surface, without subsequent ingress of fluids that would cause alteration and modification of microstructure. Some minerals in metamorphic rocks might display such "cooling ages" but in principle these data are difficult to interpret since they depend on the rate of cooling, the pressures that applied, and the subsequent geological history. Whereas the science of "cooling ages" is relatively well understood, the science of the Argon Partial Retention Zone is in its infancy. In the Argon PRZ it is evident that ages should (and do) show a strong correlation with microstructure. The difficulty is that, since diffusion of Argon is simultaneously multi-path and multi-scale, it is difficult to directly interrogate the distinct reservoirs that store gas populations and thus the age information that can be recorded as to the multiple events during the history of an individual microstructure. Laser methods invariably record mixing ages, since the spot sizes are large. Carefully designed furnace step-heating experiments on the other hand seem well capable of sequentially extracting ages from different microstructural reservoirs, and this can be tested by comparing samples with different proportions of these microstructures. Here we examine the role of microstructure in Argon ‘age dating' by comparing and contrasting observed measurements with theoretical predictions developed on the basis of modelling and simulation of the effects of multi-path and multi-scale diffusion. We analyse these results in the context of microstructures observed in white micas and K-feldspar, at both the scale of the optical microscope as well as utilising electron microscopy. Examples from three different tectonic settings will be provided to illustrate the effect of the different variables that apply: a) the extensional South Cyclades Shear Zone, Greece; b) granitoids exhumed from ultra-high-pressures in the Dora Maira, Italy; and c) leucogranites shed from the Ladakh Batholith into the Indus Formation, NW India.

Conductive paths through polycrystalline BaTiO{sub 3}: Scanning probe microscopy study

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

Ayvazian, Talin; Bersuker, Gennadi; Lingley, Zachary R.

2016-08-15

The microstructural features determining the leakage current through polycrystalline BaTiO{sub 3} films are investigated using Conductive Atomic Force Microscopy. Grain boundaries are found to be the dominant conductive paths compared to the conduction through the grains. Grain boundary currents are observed to reversibly rise with the increase of the applied DC voltages, indicating that the current is controlled by a field-activated charge transport process.

Final Technical Report: Mathematical Foundations for Uncertainty Quantification in Materials Design

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

Plechac, Petr; Vlachos, Dionisios G.

We developed path-wise information theory-based and goal-oriented sensitivity analysis and parameter identification methods for complex high-dimensional dynamics and in particular of non-equilibrium extended molecular systems. The combination of these novel methodologies provided the first methods in the literature which are capable to handle UQ questions for stochastic complex systems with some or all of the following features: (a) multi-scale stochastic models such as (bio)chemical reaction networks, with a very large number of parameters, (b) spatially distributed systems such as Kinetic Monte Carlo or Langevin Dynamics, (c) non-equilibrium processes typically associated with coupled physico-chemical mechanisms, driven boundary conditions, hybrid micro-macro systems,more » etc. A particular computational challenge arises in simulations of multi-scale reaction networks and molecular systems. Mathematical techniques were applied to in silico prediction of novel materials with emphasis on the effect of microstructure on model uncertainty quantification (UQ). We outline acceleration methods to make calculations of real chemistry feasible followed by two complementary tasks on structure optimization and microstructure-induced UQ.« less

Fast and robust method for the determination of microstructure and composition in butadiene, styrene-butadiene, and isoprene rubber by near-infrared spectroscopy.

PubMed

Vilmin, Franck; Dussap, Claude; Coste, Nathalie

2006-06-01

In the tire industry, synthetic styrene-butadiene rubber (SBR), butadiene rubber (BR), and isoprene rubber (IR) elastomers are essential for conferring to the product its properties of grip and rolling resistance. Their physical properties depend on their chemical composition, i. e., their microstructure and styrene content, which must be accurately controlled. This paper describes a fast, robust, and highly reproducible near-infrared analytical method for the quantitative determination of the microstructure and styrene content. The quantitative models are calculated with the help of pure spectral profiles estimated from a partial least squares (PLS) regression, using (13)C nuclear magnetic resonance (NMR) as the reference method. This versatile approach allows the models to be applied over a large range of compositions, from a single BR to an SBR-IR blend. The resulting quantitative predictions are independent of the sample path length. As a consequence, the sample preparation is solvent free and simplified with a very fast (five minutes) hot filming step of a bulk polymer piece. No precise thickness control is required. Thus, the operator effect becomes negligible and the method is easily transferable. The root mean square error of prediction, depending on the rubber composition, is between 0.7% and 1.3%. The reproducibility standard error is less than 0.2% in every case.

Thickness and microstructure effects in the optical and electrical properties of silver thin films

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

Ding, Guowen, E-mail: gding@intermolecular.com; Clavero, César; Schweigert, Daniel

The optical and electrical response of metal thin films approaching thicknesses in the range of the electron mean free path is highly affected by electronic scattering with the interfaces and defects. Here, we present a theoretical and experimental study on how thickness and microstructure affect the properties of Ag thin films. We are able to successfully model the electrical resistivity and IR optical response using a thickness dependent electronic scattering time. Remarkably, the product of electronic scattering time and resistivity remains constant regardless of the thickness (τx ρ = C), with a value of 59 ± 2 μΩ cm ⋅more » fs for Ag films in the investigated range from 3 to 74 nm. Our findings enable us to develop a theoretically framework that allows calculating the optical response of metal thin films in the IR by using their measured thickness and resistivity. An excellent agreement is found between experimental measurements and predicted values. This study also shows the theoretical lower limit for emissivity in Ag thin films according to their microstructure and thickness. Application of the model presented here will allow rapid characterization of the IR optical response of metal thin films, with important application in a broad spectrum of fundamental and industrial applications, including optical coatings, low-emissivity windows and semiconductor industry.« less

Characterization of beryllium deformation using in-situ x-ray diffraction

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

Magnuson, Eric Alan; Brown, Donald William; Clausen, Bjorn

2015-08-24

Beryllium’s unique mechanical properties are extremely important in a number of high performance applications. Consequently, accurate models for the mechanical behavior of beryllium are required. However, current models are not sufficiently microstructure aware to accurately predict the performance of beryllium under a range of processing and loading conditions. Previous experiments conducted using the SMARTS and HIPPO instruments at the Lujan Center(LANL), have studied the relationship between strain rate and texture development, but due to the limitations of neutron diffraction studies, it was not possible to measure the response of the material in real-time. In-situ diffraction experiments conducted at the Advancedmore » Photon Source have allowed the real time measurement of the mechanical response of compressed beryllium. Samples of pre-strained beryllium were reloaded orthogonal to their original load path to show the reorientation of already twinned grains. Additionally, the in-situ experiments allowed the real time tracking of twin evolution in beryllium strained at high rates. The data gathered during these experiments will be used in the development and validation of a new, microstructure aware model of the constitutive behavior of beryllium.« less

Concepts for the development of nanoscale stable precipitation-strengthened steels manufactured by conventional methods

DOE PAGES

Yablinsky, C. A.; Tippey, K. E.; Vaynman, S.; ...

2014-11-11

In this study, the development of oxide dispersion strengthened ferrous alloys has shown that microstructures designed for excellent irradiation resistance and thermal stability ideally contain stable nanoscale precipitates and dislocation sinks. Based upon this understanding, the microstructures of conventionally manufactured ferritic and ferritic-martensitic steels can be designed to include controlled volume fractions of fine, stable precipitates and dislocation sinks via specific alloying and processing paths. The concepts proposed here are categorized as advanced high-Cr ferritic-martensitic (AHCr-FM) and novel tailored precipitate ferritic (TPF) steels, which have the potential to improve the in-reactor performance of conventionally manufactured alloys. AHCr-FM steels have modifiedmore » alloy content relative to current reactor materials (such as alloy NF616/P92) to maximize desirable precipitates and control phase stability. TPF steels are designed to incorporate nickel aluminides, in addition to microalloy carbides, in a ferritic matrix to produce fine precipitate arrays with good thermal stability. Both alloying concepts may also benefit from thermomechanical processing to establish dislocation sinks and modify phase transformation behaviors. Alloying and processing paths toward designed microstructures are discussed for both AHCr-FM and TPF material classes.« less

Relationships Between the Phase Transformation Kinetics, Texture Evolution, and Microstructure Development in a 304L Stainless Steel Under Biaxial Loading Conditions: Synchrotron X-ray and Electron Backscatter Diffraction Studies

DOE PAGES

Cakmak, Ercan; Choo, Hahn; Kang, Jun-Yun; ...

2015-02-11

Here we report that the relationships between the martensitic phase transformation kinetics, texture evolution, and the microstructure development in the parent austenite phase were studied for a 304L stainless steel that exhibits the transformation-induced plasticity effect under biaxial loading conditions at ambient temperature. The applied loading paths included: pure torsion, simultaneous biaxial torsion/tension, simultaneous biaxial torsion/compression, and stepwise loading of tension followed by torsion (i.e., first loading by uniaxial tension and then by pure torsion in sequence). Synchrotron X-ray and electron backscatter diffraction techniques were used to measure the evolution of the phase fractions, textures, and microstructures as a functionmore » of the applied strains. The influence of loading character and path on the changes in martensitic phase transformation kinetics is discussed in the context of (1) texture-transformation relationship and the preferred transformation of grains belonging to certain texture components over the others, (2) effects of axial strains on shear band evolutions, and (3) volume changes associated with martensitic transformation.« less

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

NASA Astrophysics Data System (ADS)

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

2017-01-01

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

Double diffusivity model under stochastic forcing

NASA Astrophysics Data System (ADS)

Chattopadhyay, Amit K.; Aifantis, Elias C.

2017-05-01

The "double diffusivity" model was proposed in the late 1970s, and reworked in the early 1980s, as a continuum counterpart to existing discrete models of diffusion corresponding to high diffusivity paths, such as grain boundaries and dislocation lines. It was later rejuvenated in the 1990s to interpret experimental results on diffusion in polycrystalline and nanocrystalline specimens where grain boundaries and triple grain boundary junctions act as high diffusivity paths. Technically, the model pans out as a system of coupled Fick-type diffusion equations to represent "regular" and "high" diffusivity paths with "source terms" accounting for the mass exchange between the two paths. The model remit was extended by analogy to describe flow in porous media with double porosity, as well as to model heat conduction in media with two nonequilibrium local temperature baths, e.g., ion and electron baths. Uncoupling of the two partial differential equations leads to a higher-ordered diffusion equation, solutions of which could be obtained in terms of classical diffusion equation solutions. Similar equations could also be derived within an "internal length" gradient (ILG) mechanics formulation applied to diffusion problems, i.e., by introducing nonlocal effects, together with inertia and viscosity, in a mechanics based formulation of diffusion theory. While being remarkably successful in studies related to various aspects of transport in inhomogeneous media with deterministic microstructures and nanostructures, its implications in the presence of stochasticity have not yet been considered. This issue becomes particularly important in the case of diffusion in nanopolycrystals whose deterministic ILG-based theoretical calculations predict a relaxation time that is only about one-tenth of the actual experimentally verified time scale. This article provides the "missing link" in this estimation by adding a vital element in the ILG structure, that of stochasticity, that takes into account all boundary layer fluctuations. Our stochastic-ILG diffusion calculation confirms rapprochement between theory and experiment, thereby benchmarking a new generation of gradient-based continuum models that conform closer to real-life fluctuating environments.

The role of microstructure on deformation and damage mechanisms in a Nickel-based superalloy at elevated temperatures

NASA Astrophysics Data System (ADS)

Maciejewski, Kimberly E.

The overall objective of this research work is the development and implementation of a mechanistic based time-dependent crack growth model which considers the role of creep, fatigue and environment interactions on both the bulk and the grain boundary phase in ME3 disk material. The model is established by considering a moving crack tip along a grain boundary path in which damage events are described in terms of the grain boundary deformation and related accommodation processes. Modeling of these events was achieved by adapting a cohesive zone approach (an interface with internal singular surfaces) in which the grain boundary dislocation network is smeared into a Newtonian fluid element. The deformation behavior of this element is controlled by the continuum in both far field (internal state variable model) and near field (crystal plasticity model) and the intrinsic grain boundary viscosity which is characterized by microstructural parameters, including grain boundary precipitates and morphology, and is able to define the mobility of the element by scaling the motion of dislocations into a mesoscopic scale. Within the cohesive zone element, the motion of gliding dislocations in the tangential direction relates to the observed grain boundary sliding displacement, the rate of which is limited by the climb of dislocations over grain boundary obstacles. Effects of microstructural variation and orientation of the surrounding continuum are embedded in the tangential stress developing in the grain boundary. The mobility of the element in the tangential direction (i.e. by grain boundary sliding) characterizes the accumulation of irreversible displacement while the vertical movement (migration), although present, is assumed to alter stress by relaxation and, thus, is not considered a contributing factor in the damage process. This process is controlled by the rate at which the time-dependent sliding reaches a critical displacement and as such, a damage criterion is introduced by considering the mobility limit in the tangential direction leading to strain incompatibility and failure. This limit is diminished by environmental effects which are introduced as a dynamic embrittlement process that hinders grain boundary mobility due to oxygen diffusion. The concepts described herein indicate that implementation of the cohesive zone model requires the knowledge of the grain boundary external and internal deformation fields. The external field is generated by developing and coupling two continuum constitutive models including (i) a microstructure-explicit coarse scale crystal plasticity model with strength provided by tertiary and secondary gamma' precipitates. This scale is appropriate for the representation of the continuum region at the immediate crack tip, and (ii) a macroscopic internal state variable model for the purpose of modeling the response of the far field region located several grains away from the crack path. The hardening contributions of the gamma' precipitates consider dislocation/precipitate interactions in terms of gamma' particles shearing and/or Orowan by-passing mechanisms. The material parameters for these models are obtained from results of low cycle fatigue tests which were performed at three temperatures; 650, 704 and 760°C. Furthermore, a series of microstructure controlled experiments were carried out in order to develop and validate the microstructure dependency feature of the continuum constitutive models. The second requirement in the implementation of the cohesive zone model is a grain boundary deformation model which has been developed, as described above, on the basis of viscous flow rules of the boundary material. This model is supported by dwell crack growth experiments carried out at the three temperatures mentioned above, in both air and vacuum environments. Results of these tests have identified the frequency range in which the grain boundary cohesive zone model is applicable and also provided data to calculate the grain boundary activation energy as well as identifying the relative contributions of creep and environment in the critical sliding displacement leading to failure. Validation of the cohesive zone model has been carried out by comparing the simulated crack growth data with that obtained experimentally. This comparison is used to optimize the different model components and to provide a route to assess the relative significance of each of these components in relation to the intergranular damage associated with dwell fatigue crack growth in the ME3 alloy. For this purpose, a set of case studies were performed in order to illustrate the sensitivity of the cohesive zone model to variations in microstructure parameters (gamma ' statistics and grain boundary morphology) examined within the range of temperatures utilized in this study.

Effect of the As-Forged and Heat-Treated Microstructure on the Room Temperature Anisotropic Ductile Fracture of Inconel 718

NASA Astrophysics Data System (ADS)

Teimouri, Javad; Hosseini, Seyed Rahman; Farmanesh, Khosro

2018-05-01

The purpose of the present work was to investigate the effect of primary carbides and the δ-phase on the anisotropic ductile fracture of Inconel 718 in the forging process. Inconel 718 alloys were prepared by VIM + VAR processes with various carbon contents (0.009 and 0.027 wt.%). Then, the alloys were forged and annealed at temperatures of 980 and 1030 °C. The room temperature mechanical anisotropy of the alloys was evaluated at the longitudinal direction (LD) and transverse direction (TD). Tensile and impact tests were used to characterize the mechanical properties of the specimens. The microstructural characterization and the fractography of the alloys were carried out by FE-SEM. The obtained results showed that the fracture strain and the impact energy in the TD were 30-50% lower than the LD. The fracture was accelerated by the δ-phase, leading to the reduction of impact energy in the longitudinal and the lateral directions up to 50%. The low-carbon alloy indicated similar characteristics in both the LD and the TD. Aligned carbides changed the fracture path from a zigzag path in the LD to a fibrous path in the TD, while the δ-phase created a flat fracture path. The shear lip area ratio in the tensile fracture cross section was decreased by reducing ductility.

Effect of the As-Forged and Heat-Treated Microstructure on the Room Temperature Anisotropic Ductile Fracture of Inconel 718

NASA Astrophysics Data System (ADS)

Teimouri, Javad; Hosseini, Seyed Rahman; Farmanesh, Khosro

2018-04-01

The purpose of the present work was to investigate the effect of primary carbides and the δ-phase on the anisotropic ductile fracture of Inconel 718 in the forging process. Inconel 718 alloys were prepared by VIM + VAR processes with various carbon contents (0.009 and 0.027 wt.%). Then, the alloys were forged and annealed at temperatures of 980 and 1030 °C. The room temperature mechanical anisotropy of the alloys was evaluated at the longitudinal direction (LD) and transverse direction (TD). Tensile and impact tests were used to characterize the mechanical properties of the specimens. The microstructural characterization and the fractography of the alloys were carried out by FE-SEM. The obtained results showed that the fracture strain and the impact energy in the TD were 30-50% lower than the LD. The fracture was accelerated by the δ-phase, leading to the reduction of impact energy in the longitudinal and the lateral directions up to 50%. The low-carbon alloy indicated similar characteristics in both the LD and the TD. Aligned carbides changed the fracture path from a zigzag path in the LD to a fibrous path in the TD, while the δ-phase created a flat fracture path. The shear lip area ratio in the tensile fracture cross section was decreased by reducing ductility.

Deciphering the Possible Role of Strain Path on the Evolution of Microstructure, Texture, and Magnetic Properties in a Fe-Cr-Ni Alloy

NASA Astrophysics Data System (ADS)

Kumar, Amit; Khatirkar, Rajesh Kisni; Gupta, Aman; Shekhawat, Satish K.; Suwas, Satyam

2018-06-01

In the present work, the influence of strain path on the evolution of microstructure, crystallographic texture, and magnetic properties of a two-phase Fe-Cr-Ni alloy was investigated. The Fe-Cr-Ni alloy had nearly equal proportion of austenite and ferrite and was cold rolled up to a true strain of 1.6 (thickness reduction) using two different strain paths—unidirectional rolling and multi-step cross rolling. The microstructures were characterized by scanning electron microscopy (SEM) and electron backscattered diffraction (EBSD), while crystallographic textures were determined using X-ray diffraction. For magnetic characterization, B-H loops and M-H curves were measured and magnetic force microscopy was performed. After unidirectional rolling, ferrite showed the presence of strong α-fiber (rolling direction, RD//<110>) and austenite showed strong brass type texture (consisting of Brass (Bs) ({110}<112>), Goss ({110}<001>), and S ({123}<634>)). After multi-step cross rolling, strong rotated cube ({100}<110>) was developed in ferrite, while austenite showed ND (normal direction) rotated brass ( 10 deg) texture. The strain-induced martensite (SIM) was found to be higher in unidirectionally rolled samples than multi-step cross-rolled samples. The coherently diffracting domain size, micro-strain, coercivity, and core loss also showed a strong correlation with strain and strain path. More strain was partitioned into austenite than ferrite during deformation (unidirectional as well as cross rolling). Further, the strain partitioning (in both austenite and ferrite) was found to be higher in unidirectionally rolled samples.

Multiscale Transient and Steady-State Study of the Influence of Microstructure Degradation and Chromium Oxide Poisoning on Solid Oxide Fuel Cell Cathode Performance

NASA Astrophysics Data System (ADS)

Li, Guanchen; von Spakovsky, Michael R.; Shen, Fengyu; Lu, Kathy

2018-01-01

Oxygen reduction in a solid oxide fuel cell cathode involves a nonequilibrium process of coupled mass and heat diffusion and electrochemical and chemical reactions. These phenomena occur at multiple temporal and spatial scales, making the modeling, especially in the transient regime, very difficult. Nonetheless, multiscale models are needed to improve the understanding of oxygen reduction and guide cathode design. Of particular importance for long-term operation are microstructure degradation and chromium oxide poisoning both of which degrade cathode performance. Existing methods are phenomenological or empirical in nature and their application limited to the continuum realm with quantum effects not captured. In contrast, steepest-entropy-ascent quantum thermodynamics can be used to model nonequilibrium processes (even those far-from equilibrium) at all scales. The nonequilibrium relaxation is characterized by entropy generation, which can unify coupled phenomena into one framework to model transient and steady behavior. The results reveal the effects on performance of the different timescales of the varied phenomena involved and their coupling. Results are included here for the effects of chromium oxide concentrations on cathode output as is a parametric study of the effects of interconnect-three-phase-boundary length, oxygen mean free path, and adsorption site effectiveness. A qualitative comparison with experimental results is made.

The Microstructural Evolution of Quartzite During Gradually Increasing Stress.

NASA Astrophysics Data System (ADS)

Soleymani, Hamid; Kidder, Steven B.; Hirth, Greg

2016-12-01

In settings where rocks are exhumed along shear zones, mylonites are thought to experience a gradual increase in stress and localization as they approach the brittle-ductile transition (Figure 1. left panel). Our aim is to investigate the microstructural characteristics of experimental samples that have experienced such a stress path and make comparisons to natural samples. A common characteristic of recrystallized grains in shear zones is what appears, at least qualitatively, to be a bimodal distribution of grain size (Figure 1. right panel). We hypothesize that such distributions might form as a natural consequence of a gradual stress increase in rocks approaching the brittle-ductile transition. We carried out several general-shear, Griggs rig experiments on Arkansas novaculite ( 10 micron grain size) and Black Hills quartzite synthesized powder (10-20 micron) annealed at 915°C and confining pressure of 1.5 GPa. To simulate exhumation, stress was increased by gradually decreasing the temperature at various constant rates. Experimental design and mechanical data are presented along with a discussion on grain growth and evolution. Initial results show that the technique is able to successfully simulate the exhumation stre­­­­ss path. The experiments also show that novaculite is roughly twice as strong (at similar water concentrations) as Black Hills quartzite powder ( 10-20 microns). We anticipate that detailed, quantitative study of the microstructure and grain statistics of experiments of this type can lead to improved interpretation of the microstructural development of natural samples.

The Impact of Strain Reversal on Microstructure Evolution and Orientation Relationships in Ti-6Al-4V with an Initial Alpha Colony Microstructure

NASA Astrophysics Data System (ADS)

Muszka, K.; Lopez-Pedrosa, M.; Raszka, K.; Thomas, M.; Rainforth, W. M.; Wynne, B. P.

2014-12-01

The effect of forward and reverse torsion on flow behavior and microstructure evolution, particularly dynamic and static spheroidization, on Ti-6Al-4V with an alpha lamella colony microstructure was studied. Testing was undertaken sub beta transus [1088 K (815 °C)] at strain rates of either 0.05 or 0.5 s-1. Quantitative metallography and electron back scatter diffraction has identified that a critical monotonic strain ( ɛ c) in the range of 0.3 to 0.6 is required to initiate rapid dynamic spheroidization of the alpha lamella. For material deformed to strains below ɛ c and then reversed to a zero net strain the orientation relationships between alpha colonies are close to ideal Burgers, enabling prior beta grains to be fully reconstructed. Material deformed to strains greater than ɛ c and reversed lose Burgers and no beta reconstruction is possible, suggesting ɛ c is the strain required to generate break-up of lamella. Static spheroidization is, however, sensitive to strain path around ɛ c. Annealing at 1088 K (815 °C) for 4 hours for material subjected to 0.25 forward + 0.25 forward strain produces 48 pct spheroidized grains while material with 0.25 forward + 0.25 reverse strain has 10 pct spheroidization. This is believed to be a direct consequence of different levels of the stored energy between these two strain paths.

Numerical-experimental investigation of load paths in DP800 dual phase steel during Nakajima test

NASA Astrophysics Data System (ADS)

Bergs, Thomas; Nick, Matthias; Feuerhack, Andreas; Trauth, Daniel; Klocke, Fritz

2018-05-01

Fuel efficiency requirements demand lightweight construction of vehicle body parts. The usage of advanced high strength steels permits a reduction of sheet thickness while still maintaining the overall strength required for crash safety. However, damage, internal defects (voids, inclusions, micro fractures), microstructural defects (varying grain size distribution, precipitates on grain boundaries, anisotropy) and surface defects (micro fractures, grooves) act as a concentration point for stress and consequently as an initiation point for failure both during deep drawing and in service. Considering damage evolution in the design of car body deep drawing processes allows for a further reduction in material usage and therefore body weight. Preliminary research has shown that a modification of load paths in forming processes can help mitigate the effects of damage on the material. This paper investigates the load paths in Nakajima tests of a DP800 dual phase steel to research damage in deep drawing processes. Investigation is done via a finite element model using experimentally validated material data for a DP800 dual phase steel. Numerical simulation allows for the investigation of load paths with respect to stress states, strain rates and temperature evolution, which cannot be easily observed in physical experiments. Stress triaxiality and the Lode parameter are used to describe the stress states. Their evolution during the Nakajima tests serves as an indicator for damage evolution. The large variety of sheet metal forming specific load paths in Nakajima tests allows a comprehensive evaluation of damage for deep drawing. The results of the numerical simulation conducted in this project and further physical experiments will later be used to calibrate a damage model for simulation of deep drawing processes.

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.

Effect of microstructural evolution by isothermal aging on the mechanical properties of 9Cr-1WVTa reduced activation ferritic/martensitic steels

NASA Astrophysics Data System (ADS)

Park, Min-Gu; Lee, Chang-Hoon; Moon, Joonoh; Park, Jun Young; Lee, Tae-Ho; Kang, Namhyun; Chan Kim, Hyoung

2017-03-01

The influence of microstructural changes caused by aging condition on tensile and Charpy impact properties was investigated for reduced activation ferritic-martensitic (RAFM) 9Cr-1WVTa steels having single martensite and a mixed microstructure of martensite and ferrite. For the mixed microstructure of martensite and ferrite, the Charpy impact properties deteriorated in both as-normalized and tempered conditions due to the ferrite and the accompanying M23C6 carbides at the ferrite grain boundaries which act as path and initiation sites for cleavage cracks, respectively. However, aging at 550 °C for 20-100 h recovered gradually the Charpy impact toughness without any distinct drop in strength, as a result of the spheroidization of the coarse M23C6 carbides at the ferrite grain boundaries, which makes crack initiation more difficult.

Permeability changes induced by microfissure closure and opening in tectonized materials. Effect on slope pore pressure regime.

NASA Astrophysics Data System (ADS)

De la Fuente, Maria; Vaunat, Jean; Pedone, Giuseppe; Cotecchia, Federica; Sollecito, Francesca; Casini, Francesca

2015-04-01

Tectonized clays are complex materials characterized by several levels of structures that may evolve during load and wetting/drying processes. Some microstructural patterns, as microfissures, have a particular influence on the value of permeability which is one of the main factors controlling pore pressure regime in slopes. In this work, the pore pressure regime measured in a real slope of tectonized clay in Southern Italy is analyzed by a numerical model that considers changes in permeability induced by microfissure closure and opening during the wetting and drying processes resulting from climatic actions. Permeability model accounts for the changes in Pore Size Distribution observed by Microscopy Intrusion Porosimetry. MIP tests are performed on representative samples of ground in initial conditions ("in situ" conditions) and final conditions (deformed sample after applying a wetting path that aims to reproduce the saturation of the soil under heavy rains). The resulting measurements allow for the characterization at microstructural level of the soil, identifying the distribution of dominant families pores in the sample and its evolution under external actions. Moreover, comparison of pore size density functions allows defining a microstructural parameter that depends on void ratio and degree of saturation and controls the variation of permeability. Model has been implemented in a thermo-hydro-mechanical code provided with a special boundary condition for climatic actions. Tool is used to analyze pore pressure measurements obtained in the tectonized clay slope. Results are analyzed at the light of the effect that permeability changes during wetting and drying have on the pore pressure regime.

Thermomechanical deformation behavior of a dynamic strain aging alloy, Hastelloy X

NASA Technical Reports Server (NTRS)

Castelli, Michael G.; Miner, Robert V.; Robinson, David N.

1992-01-01

An experimental study was performed to identify the effects of dynamic strain aging (solute drag) and metallurgical instabilities under thermomechanical loading conditions. The study involved a series of closely controlled thermomechanical deformation tests on the solid-solution-strenghened nickel-base superalloy, Hastelloy X. This alloy exhibits a strong isothermal strain aging peak at approximately 600 C, promoted by the effects of solute drag and precipitation hardening. Macroscopic thermomechanical hardening trends are correlated with microstructural characteristics through the use of transmission electron microscopy. These observations are compared and contrasted with isothermal conditions. Thermomechanical behavior unique to the isothermal database is identified and discussed. The microstructural characteristics were shown to be dominated by effects associated with the highest temperature of the thermomechanical cycle. Results indicate that the deformation behavior of Hastelloy X is thermomechanically path dependent. In addition, guidance is given pertaining to deformation modeling in the context of macroscopic unified theory. An internal state variable is formulated to qualitatively reflect the isotropic hardening trends identified in the TMD experiments.

Influence of particle shape on the microstructure evolution and the mechanical properties of granular materials

NASA Astrophysics Data System (ADS)

Tian, Jianqiu; Liu, Enlong; Jiang, Lian; Jiang, Xiaoqiong; Sun, Yi; Xu, Ran

2018-06-01

In order to study the influence of particle shape on the microstructure evolution and the mechanical properties of granular materials, a two-dimensional DEM analysis of samples with three particle shapes, including circular particles, triangular particles, and elongated particles, is proposed here to simulate the direct shear tests of coarse-grained soils. For the numerical test results, analyses are conducted in terms of particle rotations, fabric evolution, and average path length evolution. A modified Rowe's stress-dilatancy equation is also proposed and successfully fitted onto simulation data.

Computational analysis of electrical conduction in hybrid nanomaterials with embedded non-penetrating conductive particles

NASA Astrophysics Data System (ADS)

Cai, Jizhe; Naraghi, Mohammad

2016-08-01

In this work, a comprehensive multi-resolution two-dimensional (2D) resistor network model is proposed to analyze the electrical conductivity of hybrid nanomaterials made of insulating matrix with conductive particles such as CNT reinforced nanocomposites and thick film resistors. Unlike existing approaches, our model takes into account the impenetrability of the particles and their random placement within the matrix. Moreover, our model presents a detailed description of intra-particle conductivity via finite element analysis, which to the authors’ best knowledge has not been addressed before. The inter-particle conductivity is assumed to be primarily due to electron tunneling. The model is then used to predict the electrical conductivity of electrospun carbon nanofibers as a function of microstructural parameters such as turbostratic domain alignment and aspect ratio. To simulate the microstructure of single CNF, randomly positioned nucleation sites were seeded and grown as turbostratic particles with anisotropic growth rates. Particle growth was in steps and growth of each particle in each direction was stopped upon contact with other particles. The study points to the significant contribution of both intra-particle and inter-particle conductivity to the overall conductivity of hybrid composites. Influence of particle alignment and anisotropic growth rate ratio on electrical conductivity is also discussed. The results show that partial alignment in contrast to complete alignment can result in maximum electrical conductivity of whole CNF. High degrees of alignment can adversely affect conductivity by lowering the probability of the formation of a conductive path. The results demonstrate approaches to enhance electrical conductivity of hybrid materials through controlling their microstructure which is applicable not only to carbon nanofibers, but also many other types of hybrid composites such as thick film resistors.

Loading Path and Control Mode Effects During Thermomechanical Cycling of Polycrystalline Shape Memory NiTi

NASA Astrophysics Data System (ADS)

Nicholson, D. E.; Benafan, O.; Padula, S. A.; Clausen, B.; Vaidyanathan, R.

2018-01-01

Loading path dependencies and control mode effects in polycrystalline shape memory NiTi were investigated using in situ neutron and synchrotron X-ray diffraction performed during mechanical cycling and thermal cycling at constant strain. Strain-controlled, isothermal, reverse loading (to ± 4%) and stress-controlled, isothermal, cyclic loading (to ± 400 MPa for up to ten cycles) at room temperature demonstrated that the preferred martensite variants selected correlated directly with the macroscopic uniaxial strain and did not correlate with the compressive or tensile state of stress. During cyclic loading (up to ten cycles), no significant cycle-to-cycle evolution of the variant microstructure corresponding to a given strain was observed, despite changes in the slope of the stress-strain response with each cycle. Additionally, thermal cycling (to above and below the phase transformation) under constant strain (up to 2% tensile strain) showed that the martensite variant microstructure correlated directly with strain and did not evolve following thermal cycling, despite relaxation of stress in both martensite and austenite phases. Results are presented in the context of variant reorientation and detwinning processes in martensitic NiTi, the fundamental thermoelastic nature of such processes and the ability of the variant microstructure to accommodate irreversible deformation processes.

Microstructural analysis of laser weld fusion zone in Haynes 282 superalloy

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

Osoba, L.O.; Ding, R.G.; Ojo, O.A., E-mail: ojo@cc.umanitoba.ca

Analytical electron microscopy and spectroscopy analyses of the fusion zone (FZ) microstructure in autogenous laser beam welded Haynes 282 (HY 282) superalloy were performed. The micro-segregation patterns observed in the FZ indicate that Co, Cr and Al exhibited a nearly uniform distribution between the dendrite core and interdendritic regions while Ti and Mo were rejected into the interdendritic liquid during the weld solidification. Transmission electron diffraction analysis and energy dispersive X-ray microanalysis revealed the second phase particles formed along the FZ interdendritic region to be Ti-Mo rich MC-type carbide particles. Weld FZ solidification cracking, which is sometimes associated with themore » formation of {gamma}-{gamma}' eutectic in {gamma}' precipitation strengthened nickel-base superalloys, was not observed in the HY 282 superalloy. Modified primary solidification path due to carbon addition in the newly developed superalloy is used to explain preclusion of weld FZ solidification cracking in the material. - Highlights: Black-Right-Pointing-Pointer A newly developed superalloy was welded by CO{sub 2} laser beam joining technique. Black-Right-Pointing-Pointer Electron microscopy characterization of the weld microstructure was performed. Black-Right-Pointing-Pointer Identified interdendritic microconstituents consist of MC-type carbides. Black-Right-Pointing-Pointer Modification of primary solidification path is used to explain cracking resistance.« less

Loading Path and Control Mode Effects During Thermomechanical Cycling of Polycrystalline Shape Memory NiTi

NASA Astrophysics Data System (ADS)

Nicholson, D. E.; Benafan, O.; Padula, S. A.; Clausen, B.; Vaidyanathan, R.

2018-03-01

Loading path dependencies and control mode effects in polycrystalline shape memory NiTi were investigated using in situ neutron and synchrotron X-ray diffraction performed during mechanical cycling and thermal cycling at constant strain. Strain-controlled, isothermal, reverse loading (to ± 4%) and stress-controlled, isothermal, cyclic loading (to ± 400 MPa for up to ten cycles) at room temperature demonstrated that the preferred martensite variants selected correlated directly with the macroscopic uniaxial strain and did not correlate with the compressive or tensile state of stress. During cyclic loading (up to ten cycles), no significant cycle-to-cycle evolution of the variant microstructure corresponding to a given strain was observed, despite changes in the slope of the stress-strain response with each cycle. Additionally, thermal cycling (to above and below the phase transformation) under constant strain (up to 2% tensile strain) showed that the martensite variant microstructure correlated directly with strain and did not evolve following thermal cycling, despite relaxation of stress in both martensite and austenite phases. Results are presented in the context of variant reorientation and detwinning processes in martensitic NiTi, the fundamental thermoelastic nature of such processes and the ability of the variant microstructure to accommodate irreversible deformation processes.

Thermal Cycling Behavior of Thermal Barrier Coatings with MCrAlY Bond Coat Irradiated by High-Current Pulsed Electron Beam.

PubMed

Cai, Jie; Lv, Peng; Guan, Qingfeng; Xu, Xiaojing; Lu, Jinzhong; Wang, Zhiping; Han, Zhiyong

2016-11-30

Microstructural modifications of a thermally sprayed MCrAlY bond coat subjected to high-current pulsed electron beam (HCPEB) and their relationships with thermal cycling behavior of thermal barrier coatings (TBCs) were investigated. Microstructural observations revealed that the rough surface of air plasma spraying (APS) samples was significantly remelted and replaced by many interconnected bulged nodules after HCPEB irradiation. Meanwhile, the parallel columnar grains with growth direction perpendicular to the coating surface were observed inside these bulged nodules. Substantial Y-rich Al 2 O 3 bubbles and varieties of nanocrystallines were distributed evenly on the top of the modified layer. A physical model was proposed to describe the evaporation-condensation mechanism taking place at the irradiated surface for generating such surface morphologies. The results of thermal cycling test showed that HCPEB-TBCs presented higher thermal cycling resistance, the spalling area of which after 200 cycles accounted for only 1% of its total area, while it was about 34% for APS-TBCs. The resulting failure mode, i.e., in particular, a mixed delamination crack path, was shown and discussed. The irradiated effects including compact remelted surface, abundant nanoparticles, refined columnar grains, Y-rich alumina bubbles, and deformation structures contributed to the formation of a stable, continuous, slow-growing, and uniform thermally grown oxide with strong adherent ability. It appeared to be responsible for releasing stress and changing the cracking paths, and ultimately greatly improving the thermal cycling behavior of HCPEB-TBCs.

Metallurgical Mechanisms Controlling Mechanical Properties of Aluminum Alloy 2219 Produced by Electron Beam Freeform Fabrication

NASA Technical Reports Server (NTRS)

Domack, Marcia S.; Tainger, Karen M.

2006-01-01

The electron beam freeform fabrication (EBF3) layer-additive manufacturing process has been developed to directly fabricate complex geometry components. EBF3 introduces metal wire into a molten pool created on the surface of a substrate by a focused electron beam. Part geometry is achieved by translating the substrate with respect to the beam to build the part one layer at a time. Tensile properties demonstrated for electron beam deposited aluminum and titanium alloys are comparable to wrought products, although the microstructures of the deposits exhibit cast features. Understanding the metallurgical mechanisms controlling mechanical properties is essential to maximizing application of the EBF3 process. Tensile mechanical properties and microstructures were examined for aluminum alloy 2219 fabricated over a range of EBF3 process variables. Unique microstructures were observed within the deposited layers and at interlayer boundaries, which varied within the deposit height due to microstructural evolution associated with the complex thermal history experienced during subsequent layer deposition. Microstructures exhibited irregularly shaped grains with interior dendritic structures, described based on overall grain size, morphology, distribution, and dendrite spacing, and were correlated with deposition parameters. Fracture features were compared with microstructural elements to define fracture paths and aid in definition of basic processing-microstructure-property correlations.

Wetting transition on patterned surfaces: transition states and energy barriers.

PubMed

Ren, Weiqing

2014-03-18

We study the wetting transition on microstructured hydrophobic surfaces. We use the string method [J. Chem. Phys. 2007, 126, 164103; J. Chem. Phys. 2013, 138, 134105] to accurately compute the transition states, the energy barriers, and the minimum energy paths for the wetting transition from the Cassie-Baxter state to the Wenzel state. Numerical results are obtained for the wetting of a hydrophobic surface textured with a square lattice of pillars. It is found that the wetting of the solid substrate occurs via infiltration of the liquid in a single groove, followed by lateral propagation of the liquid front. The propagation of the liquid front proceeds in a stepwise manner, and a zipping mechanism is observed during the infiltration of each layer. The minimum energy path for the wetting transition goes through a sequence of intermediate metastable states, whose wetted areas reflect the microstructure of the patterned surface. We also study the dependence of the energy barrier on the drop size and the gap between the pillars.

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.

Effects of Microstructure on CVN Impact Toughness in Thermomechanically Processed High Strength Microalloyed Steel

NASA Astrophysics Data System (ADS)

Jia, Tao; Zhou, Yanlei; Jia, Xiaoxiao; Wang, Zhaodong

2017-02-01

Investigation on the correlation between microstructure and CVN impact toughness is of practical importance for the microstructure design of high strength microalloyed steels. In this work, three steels with characteristic microstructures were produced by cooling path control, i.e., steel A with granular bainite (GB), steel B with polygonal ferrite (PF) and martensite-austenite (M-A) constituent, and steel C with the mixture of bainitic ferrite (BF), acicular ferrite (AF), and M-A constituent. Under the same alloy composition and controlled rolling, similar ductile-to-brittle transition temperatures were obtained for the three steels. Steel A achieved the highest upper shelf energy (USE), while large variation of impact absorbed energy has been observed in the ductile-to-brittle transition region. With apparently large-sized PF and M-A constituent, steel B shows the lowest USE and delamination phenomenon in the ductile-to-brittle transition region. Steel C exhibits an extended upper shelf region, intermediate USE, and the fastest decrease of impact absorbed energy in the ductile-to-brittle transition region. The detailed CVN impact behavior is studied and then linked to the microstructural features.

Prediction of stress- and strain-based forming limits of automotive thin sheets by numerical, theoretical and experimental methods

NASA Astrophysics Data System (ADS)

Béres, Gábor; Weltsch, Zoltán; Lukács, Zsolt; Tisza, Miklós

2018-05-01

Forming limit is a complex concept of limit values related to the onset of local necking in the sheet metal. In cold sheet metal forming, major and minor limit strains are influenced by the sheet thickness, strain path (deformation history) as well as material parameters and microstructure. Forming Limit Curves are plotted in ɛ1 - ɛ2 coordinate system providing the classic strain-based Forming Limit Diagram (FLD). Using the appropriate constitutive model, the limit strains can be changed into the stress-based Forming Limit Diagram (SFLD), irrespective of the strain path. This study is about the effect of the hardening model parameters on defining of limit stress values during Nakazima tests for automotive dual phase (DP) steels. Five limit strain pairs were specified experimentally with the loading of five different sheet geometries, which performed different strain-paths from pure shear (-2ɛ2=ɛ1) up to biaxial stretching (ɛ2=ɛ1). The former works of Hill, Levy-Tyne and Keeler-Brazier made possible some kind of theoretical strain determination, too. This was followed by the stress calculation based on the experimental and theoretical strain data. Since the n exponent in the Nádai expression is varying with the strain at some DP steels, we applied the least-squares method to fit other hardening model parameters (Ludwik, Voce, Hockett-Sherby) to calculate the stress fields belonging to each limit strains. The results showed that each model parameters could produce some discrepancies between the limit stress states in the range of higher equivalent strains than uniaxial stretching. The calculated hardening models were imported to FE code to extend and validate the results by numerical simulations.

Collinear interferometer with variable delay for carrier-envelope offset frequency measurement

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

Pawlowska, Monika; Ozimek, Filip; Fita, Piotr

2009-08-15

We demonstrate a novel scheme for measuring the carrier-envelope offset frequency in a femtosecond optical frequency comb. Our method is based on a common-path interferometer with a calcite Babinet-Soleil compensator employed to control the delay between the two interfering beams of pulses. The large delay range (up to 8 ps) of our device is sufficient for systems that rely on spectral broadening in microstructured fibers. We show an experimental proof that the stability of a common-path arrangement is superior to that of the standard interferometers.

Collinear interferometer with variable delay for carrier-envelope offset frequency measurement

NASA Astrophysics Data System (ADS)

Pawłowska, Monika; Ozimek, Filip; Fita, Piotr; Radzewicz, Czesław

2009-08-01

We demonstrate a novel scheme for measuring the carrier-envelope offset frequency in a femtosecond optical frequency comb. Our method is based on a common-path interferometer with a calcite Babinet-Soleil compensator employed to control the delay between the two interfering beams of pulses. The large delay range (up to 8 ps) of our device is sufficient for systems that rely on spectral broadening in microstructured fibers. We show an experimental proof that the stability of a common-path arrangement is superior to that of the standard interferometers.

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

NASA Technical Reports Server (NTRS)

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

2012-01-01

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

Evaluation of titanium carbide metal matrix composites deposited via laser cladding

NASA Astrophysics Data System (ADS)

Cavanaugh, Daniel Thomas

Metal matrix composites have been widely studied in terms of abrasion resistance, but a particular material system may behave differently as particle size, morphology, composition, and distribution of the hardening phase varies. The purpose of this thesis was to understand the mechanical and microstructural effects of combining titanium carbide with 431 series stainless steel to create a unique composite via laser cladding, particularly regarding wear properties. The most predominant effect in increasing abrasion resistance, measured via ASTM G65, was confirmed to be volume fraction of titanium carbide addition. Macrohardness was directly proportional to the amount of carbide, though there was an overall reduction in individual particle microhardness after cladding. The reduction in particle hardness was obscured by the effect of volume fraction carbide and did not substantially contribute to the wear resistance changes. A model evaluating effective mean free path of the titanium carbide particles was created and correlated to the measured data. The model proved successful in linking theoretical mean free path to overall abrasion resistance. The effects of the titanium carbide particle distributions were limited, while differences in particle size were noticeable. The mean free path model did not correlate well with the particle size, but it was shown that the fine carbides were completely removed by the coarse abrasive particles in the ASTM G65 test. The particle morphology showed indications of influencing the wear mode, but no statistical reduction was observed in the volume loss figures. Future studies may more specifically focus on particle morphology or compositional effects of the carbide particles.

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.

One-step patterning of hollow microstructures in paper by laser cutting to create microfluidic analytical devices.

PubMed

Nie, Jinfang; Liang, Yuanzhi; Zhang, Yun; Le, Shangwang; Li, Dunnan; Zhang, Songbai

2013-01-21

In this paper, we report a simple, low-cost method for rapid, highly reproductive fabrication of paper-based microfluidics by using a commercially available, minitype CO(2) laser cutting/engraving machine. This method involves only one operation of cutting a piece of paper by laser according to a predesigned pattern. The hollow microstructures formed in the paper are used as the 'hydrophobic barriers' to define the hydrophilic flowing paths. A typical paper device on a 4 cm × 4 cm piece of paper can be fabricated within ∼7-20 s; it is ready for use once the cutting process is finished. The main fabrication parameters such as the applied current and cutting rate of the laser were optimized. The fabrication resolution and multiplexed analytical capability of the hollow microstructure-patterned paper were also characterized.

Giant magnetoresistive heterogeneous alloys and method of making same

DOEpatents

Bernardi, Johannes J.; Thomas, Gareth; Huetten, Andreas R.

1999-01-01

The inventive material exhibits giant magnetoresistance upon application of an external magnetic field at room temperature. The hysteresis is minimal. The inventive material has a magnetic phase formed by eutectic decomposition. The bulk material comprises a plurality of regions characterized by a) the presence of magnetic lamellae wherein the lamellae are separated by a distance smaller than the mean free path of the conduction electrons, and b) a matrix composition having nonmagnetic properties that is interposed between the lamellae within the regions. The inventive, rapidly quenched, eutectic alloys form microstructure lamellae having antiparallel antiferromagnetic coupling and give rise to GMR properties. The inventive materials made according to the inventive process yielded commercially acceptable quantities and timeframes. Annealing destroyed the microstructure lamellae and the GMR effect. Noneutectic alloys did not exhibit the antiparallel microstructure lamellae and did not possess GMR properties.

Giant magnetoresistive heterogeneous alloys and method of making same

DOEpatents

Bernardi, J.J.; Thomas, G.; Huetten, A.R.

1999-03-16

The inventive material exhibits giant magnetoresistance upon application of an external magnetic field at room temperature. The hysteresis is minimal. The inventive material has a magnetic phase formed by eutectic decomposition. The bulk material comprises a plurality of regions characterized by (a) the presence of magnetic lamellae wherein the lamellae are separated by a distance smaller than the mean free path of the conduction electrons, and (b) a matrix composition having nonmagnetic properties that is interposed between the lamellae within the regions. The inventive, rapidly quenched, eutectic alloys form microstructure lamellae having antiparallel antiferromagnetic coupling and give rise to GMR properties. The inventive materials made according to the inventive process yielded commercially acceptable quantities and timeframes. Annealing destroyed the microstructure lamellae and the GMR effect. Noneutectic alloys did not exhibit the antiparallel microstructure lamellae and did not possess GMR properties. 7 figs.

Giant magnetoresistive heterogeneous alloys and method of making same

DOEpatents

Bernardi, Johannes J.; Thomas, Gareth; Huetten, Andreas R.

1998-01-01

The inventive material exhibits giant magnetoresistance upon application of an external magnetic field at room temperature. The hysteresis is minimal. The inventive material has a magnetic phase formed by eutectic decomposition. The bulk material comprises a plurality of regions characterized by a) the presence of magnetic lamellae wherein the lamellae are separated by a distance smaller than the mean free path of the conduction electrons, and b) a matrix composition having nonmagnetic properties that is interposed between the lamellae within the regions. The inventive, rapidly quenched, eutectic alloys form microstructure lamellae having antiparallel antiferromagnetic coupling and give rise to GMR properties. The inventive materials made according to the inventive process yielded commercially acceptable quantities and timeframes. Annealing destroyed the microstructure lamellae and the GMR effect. Noneutectic alloys did not exhibit the antiparallel microstructure lamellae and did not possess GMR properties.

Giant magnetoresistive heterogeneous alloys and method of making same

DOEpatents

Bernardi, J.J.; Thomas, G.; Huetten, A.R.

1998-10-20

The inventive material exhibits giant magnetoresistance upon application of an external magnetic field at room temperature. The hysteresis is minimal. The inventive material has a magnetic phase formed by eutectic decomposition. The bulk material comprises a plurality of regions characterized by (a) the presence of magnetic lamellae wherein the lamellae are separated by a distance smaller than the mean free path of the conduction electrons, and (b) a matrix composition having nonmagnetic properties that is interposed between the lamellae within the regions. The inventive, rapidly quenched, eutectic alloys form microstructure lamellae having antiparallel antiferromagnetic coupling and give rise to GMR properties. The inventive materials made according to the inventive process yielded commercially acceptable quantities and timeframes. Annealing destroyed the microstructure lamellae and the GMR effect. Noneutectic alloys did not exhibit the antiparallel microstructure lamellae and did not possess GMR properties. 7 figs.

Impact of Interlayer Dwell Time on Microstructure and Mechanical Properties of Nickel and Titanium Alloys

NASA Astrophysics Data System (ADS)

Foster, B. K.; Beese, A. M.; Keist, J. S.; McHale, E. T.; Palmer, T. A.

2017-09-01

Path planning in additive manufacturing (AM) processes has an impact on the thermal histories experienced at discrete locations in simple and complex AM structures. One component of path planning in directed energy deposition is the time required for the laser or heat source to return to a given location to add another layer of material. As structures become larger and more complex, the length of this interlayer dwell time can significantly impact the resulting thermal histories. The impact of varying dwell times between 0 and 40 seconds on the microstructural and mechanical properties of Inconel® 625 and Ti-6Al-4V builds has been characterized. Even though these materials display different microstructures and solid-state phase transformations, the addition of an interlayer dwell generally led to a finer microstructure in both materials that impacted the resulting mechanical properties. With the addition of interlayer dwell times up to 40 seconds in the Inconel® 625 builds, finer secondary dendrite arm spacing values, produced by changes in the thermal history, correspond to increased yield and tensile strengths. These mechanical properties did not appear to change significantly, however, for dwell times greater than 20 seconds in the Inconel® 625 builds, indicating that longer dwell times have a minimal impact. The addition of interlayer dwell times in Ti-6Al-4V builds resulted in a slight decrease in the measured alpha lath widths and a much more noticeable decrease in the width of prior beta grains. In addition, the yield and tensile values continued to increase, nearly reaching the values observed in the rolled plate substrate material with dwell times up to 40 seconds.

On the origin of residual strain in shape memory alloys: experimental investigation on evolutions in the microstructure of CuAlBe during complex thermomechanical loadings

NASA Astrophysics Data System (ADS)

Barati, M.; Arbab Chirani, S.; Kadkhodaei, M.; Saint-Sulpice, L.; Calloch, S.

2017-02-01

The behaviors of shape memory alloys (SMAs) strongly depend on the presence of different phases: austenite, thermally-induced martensite and stress-induced martensite. Consequently, it is important to know the phase volume fraction of each phases and their evolution during thermomechanical loadings. In this work, a three-phase proportioning method based on electric resistivity variation of a CuAlBe SMA is proposed. Simple thermomechanical loadings (i. e. pseudoplasticity and pseudoelasticity), one-way shape memory effect, recovery stress, assisted two-way memory effect at different level of stress and cyclic pseudoelasticity tests are investigated. Based on the electric resistivity results, during each loading path, evolution of the microstructure is determined. The origin of residual strain observed during the considered thermomechanical loadings is discussed. A special attention is paid to two-way shape memory effect generated after considered cyclic loadings and its relation with the developed residual strain. These results permit to identify and to validate the macroscopic models of SMAs behaviors.

Revealing the microstructure of the giant component in random graph ensembles

NASA Astrophysics Data System (ADS)

Tishby, Ido; Biham, Ofer; Katzav, Eytan; Kühn, Reimer

2018-04-01

The microstructure of the giant component of the Erdős-Rényi network and other configuration model networks is analyzed using generating function methods. While configuration model networks are uncorrelated, the giant component exhibits a degree distribution which is different from the overall degree distribution of the network and includes degree-degree correlations of all orders. We present exact analytical results for the degree distributions as well as higher-order degree-degree correlations on the giant components of configuration model networks. We show that the degree-degree correlations are essential for the integrity of the giant component, in the sense that the degree distribution alone cannot guarantee that it will consist of a single connected component. To demonstrate the importance and broad applicability of these results, we apply them to the study of the distribution of shortest path lengths on the giant component, percolation on the giant component, and spectra of sparse matrices defined on the giant component. We show that by using the degree distribution on the giant component one obtains high quality results for these properties, which can be further improved by taking the degree-degree correlations into account. This suggests that many existing methods, currently used for the analysis of the whole network, can be adapted in a straightforward fashion to yield results conditioned on the giant component.

Toward the existence of ultrafast diffusion paths in Cu with a gradient microstructure: Room temperature diffusion of Ni

NASA Astrophysics Data System (ADS)

Wang, Z. B.; Lu, K.; Wilde, G.; Divinski, S.

2008-09-01

Room temperature diffusion of Ni63 in Cu with a gradient microstructure prepared by surface mechanical attrition treatment (SMAT) was investigated by applying the radiotracer technique. The results reveal significant penetration of Ni into the nanostructured layer. The relevant diffusivity is higher than that along the conventional high-angle grain boundaries by about six orders of magnitude. This behavior is associated with a higher energy state of internal interfaces produced via plastic deformation. The diffusivity in the top surface layer is somewhat smaller than that in the subsurface layer. This fact is related to nanotwin formation in the former during SMAT.

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

3D characterization of trans- and inter-lamellar fatigue crack in (α + β) Ti alloy

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

Babout, Laurent, E-mail: Laurent.babout@p.lodz.pl; Jopek, Łukasz; Preuss, Michael

2014-12-15

This paper presents a three dimensional image processing strategy that has been developed to quantitatively analyze and correlate the path of a fatigue crack with the lamellar microstructure found in Ti-6246. The analysis is carried out on X-ray microtomography images acquired in situ during uniaxial fatigue testing. The crack, the primary β-grain boundaries and the α lamellae have been segmented separately and merged for the first time to allow a better characterization and understanding of their mutual interaction. This has particularly emphasized the role of translamellar crack growth at a very high propagation angle with regard to the lamellar orientation,more » supporting the central role of colonies favorably oriented for basal 〈a〉 slip to guide the crack in the fully lamellar microstructure of Ti alloy. - Highlights: • 3D tomography images reveal strong short fatigue crack interaction with α lamellae. • Proposed 3D image processing methodology makes their segmentation possible. • Crack-lamellae orientation maps show prevalence of translamellar cracking. • Angle study comforts the influence of basal/prismatic slip on crack path.« less

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

PubMed Central

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

1993-01-01

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

From random microstructures to representative volume elements

NASA Astrophysics Data System (ADS)

Zeman, J.; Šejnoha, M.

2007-06-01

A unified treatment of random microstructures proposed in this contribution opens the way to efficient solutions of large-scale real world problems. The paper introduces a notion of statistically equivalent periodic unit cell (SEPUC) that replaces in a computational step the actual complex geometries on an arbitrary scale. A SEPUC is constructed such that its morphology conforms with images of real microstructures. Here, the appreciated two-point probability function and the lineal path function are employed to classify, from the statistical point of view, the geometrical arrangement of various material systems. Examples of statistically equivalent unit cells constructed for a unidirectional fibre tow, a plain weave textile composite and an irregular-coursed masonry wall are given. A specific result promoting the applicability of the SEPUC as a tool for the derivation of homogenized effective properties that are subsequently used in an independent macroscopic analysis is also presented.

Laboratory earthquakes triggered during the eclogitization of lawsonite bearing blueschist

NASA Astrophysics Data System (ADS)

Incel, S.; Hilairet, N.; Labrousse, L.; John, T.; Deldicque, D.; Ferrand, T. P.; Wang, Y.; Renner, J.; Morales, L. F. G.; Schubnel, A.

2016-12-01

The origin of intermediate-depth seismicity has been debated for decades. A substantial fraction of these events occur within the upper plane of Wadati-Benioff double seismic zones believed to represent subducting oceanic crust. We deformed natural lawsonite-rich blueschist samples under eclogite-facies conditions (1 < P < 3.5 GPa; 583 K < T < 1121 K), using a D-DIA apparatus installed at a synchrotron beam line continuously monitoring stress, strain, phase content, and acoustic emissions (AEs). Two distinct eclogitization paths were followed: i) a cold path (maximum temperatures of 762 to 927 K), during which lawsonite and glaucophane went gradually unstable at higher pressure; ii) a hot path (maximum temperatures of 1073 to 1121 K) during which the complete breakdown of lawsonite at high temperature was triggered, but glaucophane or amphibole in general remained stable. Brittle failure of the sample, accompanied by the radiation of AEs, occurred for the cold path. In-situ XRD and post-mortem microstructural analysis demonstrate that fractures are topologically related to the growth of omphacite. Amorphous material was detected along the fractures by transmission electron microscopy without evidence for free-water. Since the growth of omphacite is associated with grain-size reduction, we interpret the observed mechanical instability as a transformation-induced thermal runaway under stress (or transformational faulting) triggered during the transition from lawsonite-blueschist to lawsonite-eclogite. In contrast, we find no microstructural evidence that the breakdown of lawsonite, and hence the liberation of water leads to the fracturing of the sample along the hot path, although some AEs were detected during an experiment performed at 1.5 GPa. Our experimental results challenge the concept of "dehydration embrittlement", which ascribes the genesis of intermediate-depth earthquakes to the breakdown of hydrous phases in the subducting oceanic plate. Instead our results demonstrate that grain-size reduction (transformational faulting) during the transition from lawsonite-blueschist to lawsonite-eclogite leads to the brittle failure of the samples.

Metallurgical Mechanisms Controlling Mechanical Properties of Aluminum Alloy 2219 Produced By Electron Beam Freeform Fabrication

NASA Technical Reports Server (NTRS)

Domack, Marcia S.; Taminger, Karen M. B.; Begley, Matthew

2006-01-01

The electron beam freeform fabrication (EBF3) layer-additive manufacturing process has been developed to directly fabricate complex geometry components. EBF3 introduces metal wire into a molten pool created on the surface of a substrate by a focused electron beam. Part geometry is achieved by translating the substrate with respect to the beam to build the part one layer at a time. Tensile properties have been demonstrated for electron beam deposited aluminum and titanium alloys that are comparable to wrought products, although the microstructures of the deposits exhibit features more typical of cast material. Understanding the metallurgical mechanisms controlling mechanical properties is essential to maximizing application of the EBF3 process. In the current study, mechanical properties and resulting microstructures were examined for aluminum alloy 2219 fabricated over a range of EBF3 process variables. Material performance was evaluated based on tensile properties and results were compared with properties of Al 2219 wrought products. Unique microstructures were observed within the deposited layers and at interlayer boundaries, which varied within the deposit height due to microstructural evolution associated with the complex thermal history experienced during subsequent layer deposition. Microstructures exhibited irregularly shaped grains, typically with interior dendritic structures, which were described based on overall grain size, morphology, distribution, and dendrite spacing, and were correlated with deposition parameters. Fracture features were compared with microstructural elements to define fracture paths and aid in definition of basic processing-microstructure-property correlations.

Microstructure, mechanical and fretting wear properties of TiC-stainless steel composites

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

Akhtar, F.; Department of Metallurgical and Materials Engineering, University of Engineering and Technology, Lahore; Guo, S.J.

2008-01-15

This study deals with the processing, microstructure, and wear behavior of TiC-reinforced stainless steel matrix composites, containing 50 to 70 wt.% TiC. Powder technology was used to successfully fabricate the composites. The microstructure of the composite was characterized by scanning electron microscopy. The microstructural study revealed that the TiC particles were distributed uniformly in the steel matrix phase. Interface debonding and microcracks were not observed in the composite. The composite hardness increased with TiC content. The fretting wear resistance of the composites was studied against high speed steel. The wear mechanisms are discussed by means of microscopical observations on themore » worn surfaces. The wear was severe at higher wear loads and lower TiC content. Microplowing of the stainless steel matrix was found to be the dominant wear mechanism. Heavy microplowing and rapid removal of material from the wear surface was observed at high wear load. The variation of wear loss with volume fraction and mean free path of the binder phase is also reported.« less

Microstructural Characteristics of Deformed Quartz Under Non-Steady-State Conditions

NASA Astrophysics Data System (ADS)

Soleymani, Hamid; Kidder, Steven B.; Hirth, Greg

2017-12-01

Analysis of rock deformation experiments can be used to better inform studies of the stress history of geologic fault zones. While it is thought that many geological processes are slow enough to reach steady-state, however, the impact of non-steady-state conditions can be significant. For instance it is thought that most rocks experience a gradual increase in stress as they approach the brittle-ductile transition during exhumation, however experiments simulating a gradual stress increase during dislocation creep were not previously carried out. Similarly, while numerical models of earthquakes on major plate boundary fault zones indicate temporarily elevated differential stress and strain-rates below the fault edge in the ductile crust/upper-mantle, few experimental studies have explored the effects of such episodic stress and strain-rates on microstructural evolution. We carried out general-shear and axial compression Griggs rig experiments on Black Hills quartzite (grain size ≈ 100 µm) and synthesized quartz aggregates (grain size ≈ 20 µm) both annealed at 900 °C and confining pressure of 1GPa. The first series of experiments was designed to simulate the stress history of rapidly exhumed rocks. Stress was increased during the experiments by gradually decreasing the temperature from 900 °C to 800 °C at various constant displacement rates. The second series of experiments explores the microstructural and rheological characteristics of quartz deformed to strains of γ ≈ 4 via alternating fast strain rate ( ≈ 1 × 10-3 sec-1 ) and relaxation intervals. Preliminarily mechanical data suggest that our techniques successfully simulate exhumation stress paths and episodic stress pulses. Detailed microstructural analysis of the experimental samples and comparisons to natural samples will be presented to explore the degree to which non-steady-state behavior may be recorded in exhumed rocks.

Response and representation of ductile damage under varying shock loading conditions in tantalum

DOE PAGES

Bronkhorst, C. A.; Gray, III, G. T.; Addessio, F. L.; ...

2016-02-25

The response of polycrystalline metals, which possess adequate mechanisms for plastic deformation under extreme loading conditions, is often accompanied by the formation of pores within the structure of the material. This large deformation process is broadly identified as progressive with nucleation, growth, coalescence, and failure the physical path taken over very short periods of time. These are well known to be complex processes strongly influenced by microstructure, loading path, and the loading profile, which remains a significant challenge to represent and predict numerically. In the current study, the influence of loading path on the damage evolution in high-purity tantalum ismore » presented. Tantalum samples were shock loaded to three different peak shock stresses using both symmetric impact, and two different composite flyer plate configurations such that upon unloading the three samples displayed nearly identical “pull-back” signals as measured via rear-surface velocimetry. While the “pull-back” signals observed were found to be similar in magnitude, the sample loaded to the highest peak stress nucleated a connected field of ductile fracture which resulted in complete separation, while the two lower peak stresses resulted in incipient damage. The damage evolution in the “soft” recovered tantalum samples was quantified using optical metallography, electron-back-scatter diffraction, and tomography. These experiments are examined numerically through the use of a model for shock-induced porosity evolution during damage. The model is shown to describe the response of the tantalum reasonably well under strongly loaded conditions but less well in the nucleation dominated regime. As a result, numerical results are also presented as a function of computational mesh density and discussed in the context of improved representation of the influence of material structure upon macro-scale models of ductile damage.« less

Atomistic potentials based energy flux integral criterion for dynamic adiabatic shear banding

NASA Astrophysics Data System (ADS)

Xu, Yun; Chen, Jun

2015-02-01

The energy flux integral criterion based on atomistic potentials within the framework of hyperelasticity-plasticity is proposed for dynamic adiabatic shear banding (ASB). System Helmholtz energy decomposition reveals that the dynamic influence on the integral path dependence is originated from the volumetric strain energy and partial deviatoric strain energy, and the plastic influence only from the rest part of deviatoric strain energy. The concept of critical shear banding energy is suggested for describing the initiation of ASB, which consists of the dynamic recrystallization (DRX) threshold energy and the thermal softening energy. The criterion directly relates energy flux to the basic physical processes that induce shear instability such as dislocation nucleations and multiplications, without introducing ad-hoc parameters in empirical constitutive models. It reduces to the classical path independent J-integral for quasi-static loading and elastic solids. The atomistic-to-continuum multiscale coupling method is used to simulate the initiation of ASB. Atomic configurations indicate that DRX induced microstructural softening may be essential to the dynamic shear localization and hence the initiation of ASB.

The application of compressive sampling in rapid ultrasonic computerized tomography (UCT) technique of steel tube slab (STS).

PubMed

Jiang, Baofeng; Jia, Pengjiao; Zhao, Wen; Wang, Wentao

2018-01-01

This paper explores a new method for rapid structural damage inspection of steel tube slab (STS) structures along randomly measured paths based on a combination of compressive sampling (CS) and ultrasonic computerized tomography (UCT). In the measurement stage, using fewer randomly selected paths rather than the whole measurement net is proposed to detect the underlying damage of a concrete-filled steel tube. In the imaging stage, the ℓ1-minimization algorithm is employed to recover the information of the microstructures based on the measurement data related to the internal situation of the STS structure. A numerical concrete tube model, with the various level of damage, was studied to demonstrate the performance of the rapid UCT technique. Real-world concrete-filled steel tubes in the Shenyang Metro stations were detected using the proposed UCT technique in a CS framework. Both the numerical and experimental results show the rapid UCT technique has the capability of damage detection in an STS structure with a high level of accuracy and with fewer required measurements, which is more convenient and efficient than the traditional UCT technique.

Measurements Of The Effects Of Grain Boundary And Alloy Scattering On Spectral Phonon Mean Free Path Distributions.

NASA Astrophysics Data System (ADS)

Lubner, Sean; Khan, Md. Imran; Dames, Chris

In the electronics and clean energy fields, it is increasingly necessary to reliably model the dissipation of heat from micro and nanostructures or nanostructured materials such as in batteries, computer chips, and thermoelectrics. In these regimes where length scales are comparable to the mean free paths (MFPs) of energy carriers, the diffusion law of heat conduction begins to break down. In this talk, I present our recent results from using a time domain thermoreflectance (TDTR) technique with laser spot 1/e-squared radii less than 2 microns to measure sub-diffusion thermal transport in silicon, nanograined-silicon (ng-Si), and silicon germanium (SiGe) alloys. Our results experimentally demonstrate that alloy scattering skews phonon spectra toward longer MFPs, while nanostructuring skews phonon spectra toward shorter MFPs. As a consequence, we show that a significant fraction of the heat-carrying phonons in SiGe have MFPs greater than 10 microns at room temperature, and that the thermal conductivity of ng-Si overtakes that of SiGe after microstructuring. NSF.

Microstructural investigation of current barriers in high temperature superconducting tapes and coated conductors

NASA Astrophysics Data System (ADS)

Reeves, Jodi Lynn

Microstructural barriers to supercurrent occur on many length scales in all high temperature oxide superconductors. Eliminating microstructural barriers is key to making these potentially valuable materials more favorable for commercial applications. In silver-sheathed Bi2Sr2CaCu 2Ox (Bi-2212) tapes and multifilaments, the principal barriers on the scale of 10--100's of micrometers are bubbling, porosity, second phase particles, and poorly aligned grains. In state-of-the-art YBa2 Cu3Ox (YBCO) coated conductors, supercurrent barriers on the 0.1--100mum scale are grain boundaries. This thesis work clarifies the role of grain boundaries in the nickel substrate of RABiTS (Rolling Assisted Biaxially Textured Substrate) coated conductors. Plan-view SEM imaging, focused ion beam cutting, magneto-optical imaging and grain orientation mapping were used to determine barriers to supercurrent. Experiments showed enhanced magnetic flux penetration, and hence reduced Jc, in the YBCO above nearly all nickel grain boundaries with misorientation angles (theta) greater than 5°, independent of the rotation axis. Monochromatic backscattered electron Kikuchi pattern percolation maps imply there is a fully connected current path through the YBCO microstructure within the chosen tolerance angle criterion of the map. However, it is the grain boundary map that displays the constrictions of the current path. Therefore, grain boundary maps are better tools for illustrating supercurrent barriers than percolation maps. Grain boundary maps and grain orientation maps were used to investigate how the texture of the substrate was transferred to the buffer layers and to the superconductor. Most grasp boundaries in the nickel were replicated in the buffer and superconductor layers with the same misorientation angle. Anisotropic growth and/or surface energy minimization may be responsible for the improvement in c-axis alignment in the YBCO over the buffer layer. However, the YBCO mosaic spread did not eliminate high angle grain boundaries, since >5° boundaries were still seen in YBCO grain boundary maps. The results of this study on microstructural current barriers show that Jc improvements in RABiTS-type coated conductors require eliminating theta > 5° boundaries in the nickel substrate.

Initial leakage current paths in the vertical-type GaN-on-GaN Schottky barrier diodes

NASA Astrophysics Data System (ADS)

Sang, Liwen; Ren, Bing; Sumiya, Masatomo; Liao, Meiyong; Koide, Yasuo; Tanaka, Atsushi; Cho, Yujin; Harada, Yoshitomo; Nabatame, Toshihide; Sekiguchi, Takashi; Usami, Shigeyoshi; Honda, Yoshio; Amano, Hiroshi

2017-09-01

Electrical characteristics of leakage current paths in vertical-type n-GaN Schottky barrier diodes (SBDs) on free-standing GaN substrates are investigated by using photon emission microscopy (PEM). The PEM mapping shows that the initial failure of the SBD devices at low voltages is due to the leakage current paths from polygonal pits in the GaN epilayers. It is observed that these polygonal pits originate from carbon impurity accumulation to the dislocations with a screw-type component by microstructure analysis. For the SBD without polygonal pits, no initial failure is observed and the first leakage appeals at the edge of electrodes as a result of electric field concentration. The mechanism of leakage at pits is explained in terms of trap assisted tunneling through fitting current-voltage characteristics.

In vivo imaging of middle-ear and inner-ear microstructures of a mouse guided by SD-OCT combined with a surgical microscope

PubMed Central

Cho, Nam Hyun; Jang, Jeong Hun; Jung, Woonggyu; Kim, Jeehyun

2014-01-01

We developed an augmented-reality system that combines optical coherence tomography (OCT) with a surgical microscope. By sharing the common optical path in the microscope and OCT, we could simultaneously acquire OCT and microscope views. The system was tested to identify the middle-ear and inner-ear microstructures of a mouse. Considering the probability of clinical application including otorhinolaryngology, diseases such as middle-ear effusion were visualized using in vivo mouse and OCT images simultaneously acquired through the eyepiece of the surgical microscope during surgical manipulation using the proposed system. This system is expected to realize a new practical area of OCT application. PMID:24787787

The Effect of Tow Shearing on Reinforcement Positional Fidelity in the Manufacture of a Continuous Fiber Reinforced Thermoplastic Matrix Composite via Pultrusion-Like Processing of Commingled Feedstock

NASA Astrophysics Data System (ADS)

Warlick, Kent M.

While the addition of short fiber to 3D printed articles has increased structural performance, ultimate gains will only be realized through the introduction of continuous reinforcement placed along pre-planned load paths. Most additive manufacturing research focusing on the addition of continuous reinforcement has revolved around utilization of a prefrabricated composite filament or a fiber and matrix mixed within a hot end prior to deposition on a printing surface such that conventional extrusion based FDM can be applied. Although stronger 3D printed parts can be made in this manner, high quality homogenous composites are not possible due to fiber dominated regions, matrix dominated regions, and voids present between adjacent filaments. Conventional composite manufacturing processes are much better at creating homogeneous composites; however, the layer by layer approach in which they are made is inhibiting the alignment of reinforcement with loads. Automated Fiber Placement techniques utilize in plane bending deformation of the tow to facilitate tow steering. Due to buckling fibers on the inner radius of curves, manufacturers recommend a minimum curvature for path placement with this technique. A method called continuous tow shearing has shown promise to enable the placement of tows in complex patterns without tow buckling, spreading, and separation inherent in conventional forms of automated reinforcement positioning. The current work employs fused deposition modeling hardware and the continuous tow shearing technique to manufacture high quality fiber reinforced composites with high positional fidelity, varying continuous reinforcement orientations within a layer, and plastic elements incorporated enabling the ultimate gains in structural performance possible. A mechanical system combining concepts of additive manufacturing with fiber placement via filament winding was developed. Paths with and without tension inherent in filament winding were analyzed through microscopy in order to examine best and worst case scenarios. High quality fiber reinforced composite materials, in terms of low void content, high fiber volume fractions and homogeneity in microstructure, were manufactured in both of these scenarios. In order to improve fidelity and quality in fiber path transition regions, a forced air cooling manifold was designed, printed, and implemented into the current system. To better understand the composite performance that results from varying pertinent manufacturing parameters, the effect of feed rate, hot end temperature, forced air cooling, and deposition surface (polypropylene and previously deposited glass polypropylene commingled tow) on interply performance, microstructure, and positional fidelity were analyzed. Interply performance, in terms of average maximum load and average peel strength, was quantified through a t-peel test of the bonding quality between two surfaces. With use of forced air cooling, minor decreases in average peel strength were present due to a reduction in tow deposition temperature which was found to be the variable most indicative of performance. Average maximum load was comparable between the forced air cooled and non-air cooled samples. Microstructure was evaluated through characterization of composite area, void content, and flash percentage. Low void contents mostly between five to seven percent were attained. Further reduction of this void content to two percent is possible through higher processing temperatures; however, reduced composite area, low average peel strength performance, and the presence of smoke during manufacturing implied thermal degradation of the polypropylene matrix occurred in these samples with higher processing temperatures. Positional fidelity was measured through calculations of shear angle, shift width, and error of a predefined path. While positional fidelity variation was low with a polypropylene deposition surface, forced air cooling is necessary to achieve fidelity on top of an already deposited tow surface as evident by the fifty-six percent reduction in error tolerance profile achieved. Lastly, proof of concept articles with unique fiber paths and neat plastic elements incorporated were produced to demonstrate fiber placement along pre-planned load paths and the ability to achieve greater structural efficiency through the use of less material. The results show that high positional fidelity and high quality composites can be produced through the use of the tow shearing technique implemented in the developed mechanical system. The implementation of forced air cooling was critical in achieving fidelity and quality in transition regions. Alignment of continuous reinforcement with pre-planned load paths was demonstrated in the proof of concept article with varying fiber orientations within a layer. Combining fused deposition modeling of plastic with the placement of continuous reinforcement enabled a honeycomb composite to be produced with higher specific properties than traditional composites. Thus, the current system demonstrated a greater capability of achieving ultimate gains in structural performance than previously possible.

White matter microstructure mediates the relationship between cardiorespiratory fitness and spatial working memory in older adults.

PubMed

Oberlin, Lauren E; Verstynen, Timothy D; Burzynska, Agnieszka Z; Voss, Michelle W; Prakash, Ruchika Shaurya; Chaddock-Heyman, Laura; Wong, Chelsea; Fanning, Jason; Awick, Elizabeth; Gothe, Neha; Phillips, Siobhan M; Mailey, Emily; Ehlers, Diane; Olson, Erin; Wojcicki, Thomas; McAuley, Edward; Kramer, Arthur F; Erickson, Kirk I

2016-05-01

White matter structure declines with advancing age and has been associated with a decline in memory and executive processes in older adulthood. Yet, recent research suggests that higher physical activity and fitness levels may be associated with less white matter degeneration in late life, although the tract-specificity of this relationship is not well understood. In addition, these prior studies infrequently associate measures of white matter microstructure to cognitive outcomes, so the behavioral importance of higher levels of white matter microstructural organization with greater fitness levels remains a matter of speculation. Here we tested whether cardiorespiratory fitness (VO2max) levels were associated with white matter microstructure and whether this relationship constituted an indirect pathway between cardiorespiratory fitness and spatial working memory in two large, cognitively and neurologically healthy older adult samples. Diffusion tensor imaging was used to determine white matter microstructure in two separate groups: Experiment 1, N=113 (mean age=66.61) and Experiment 2, N=154 (mean age=65.66). Using a voxel-based regression approach, we found that higher VO2max was associated with higher fractional anisotropy (FA), a measure of white matter microstructure, in a diverse network of white matter tracts, including the anterior corona radiata, anterior internal capsule, fornix, cingulum, and corpus callosum (PFDR-corrected<.05). This effect was consistent across both samples even after controlling for age, gender, and education. Further, a statistical mediation analysis revealed that white matter microstructure within these regions, among others, constituted a significant indirect path between VO2max and spatial working memory performance. These results suggest that greater aerobic fitness levels are associated with higher levels of white matter microstructural organization, which may, in turn, preserve spatial memory performance in older adulthood. Copyright © 2015 Elsevier Inc. All rights reserved.

Cohesive zone model for intergranular slow crack growth in ceramics: influence of the process and the microstructure

NASA Astrophysics Data System (ADS)

Romero de la Osa, M.; Estevez, R.; Olagnon, C.; Chevalier, J.; Tallaron, C.

2011-10-01

Ceramic polycrystals are prone to slow crack growth (SCG) which is stress and environmentally assisted, similarly to observations reported for silica glasses. The kinetics of fracture are known to be dependent on the load level, the temperature and the relative humidity. In addition, evidence is available on the influence of the microstructure on the SCG rate with an increase in the crack velocity with decreasing the grain size. Crack propagation takes place beyond a load threshold, which is grain size dependent. We present a cohesive zone model for the intergranular failure process. The methodology accounts for an intrinsic opening that governs the length of the cohesive zone and allows the investigation of grain size effects. A rate and temperature-dependent cohesive model is proposed (Romero de la Osa M, Estevez R et al 2009 J. Mech. Adv. Mater. Struct. 16 623-31) to mimic the reaction-rupture mechanism. The formulation is inspired by Michalske and Freiman's picture (Michalske and Freiman 1983 J. Am. Ceram. Soc. 66 284-8) together with a recent study by Zhu et al (2005 J. Mech. Phys. Solids 53 1597-623) of the reaction-rupture mechanism. The present investigation extends a previous work (Romero de la Osa et al 2009 Int. J. Fracture 158 157-67) in which the problem is formulated. Here, we explore the influence of the microstructure in terms of grain size, their elastic properties and residual thermal stresses originating from the cooling from the sintering temperature down to ambient conditions. Their influence on SCG for static loadings is reported and the predictions compared with experimental trends. We show that the initial stress state is responsible for the grain size dependence reported experimentally for SCG. Furthermore, the account for the initial stresses enables the prediction of a load threshold below which no crack growth is observed: a crack arrest takes place when the crack path meets a region in compression.

Microstructure and hot corrosion behavior of the Ni-based superalloy GH202 treated by laser shock processing

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

Cao, Jiangdong

The effects of laser shock processing on microstructure, the residual stress, and hot corrosion behavior of the Ni-based superalloy GH202 were investigated. The microstructures of GH202 before and after laser shock processing (LSP) were characterized by electron backscattered diffraction (EBSD) and transmission electron microscope (TEM). A large number of crystal defects (twins, dislocation arrays, and high dense tangles) were generated on the surface of GH202 treated with LSP. The cross-sectional compressive residual stress and micro-hardness of specimens treated by LSP were improved significantly. The corrosion kinetics of GH202 with or without LSP treatment at 800 °C and 900 °C weremore » investigated. Analysis by X-ray diffraction (XRD) revealed that the corrosion products mainly consist of Cr{sub 2}O{sub 3}, TiO{sub 2}, Al{sub 2}O{sub 3}, NiO, CrS, Ni{sub 3}S{sub 2}, and Na{sub 2}CrO{sub 4}. The surface and cross-section morphologies were observed by scanning electron microscope (SEM) combined with energy dispersive spectroscopy (EDS). The results confirmed that the crystal defects induced by LSP promotes the creation of diffusion paths for elements (Cr, Al, and Ti), allowing the formation of tiny homogeneous oxidation films in a very short time. Additionally, the spallation of oxidation film on the treated specimens was alleviated significantly. Overall, the hot corrosion resistance of Ni-based GH202 induced by LSP was improved in Na{sub 2}SO{sub 4} and NaCl molten salt from 800 °C to 900 °C. - Highlights: • Microstructure changes of GH202 before and after LSP were observed by EBSD and TEM. • The hardness and residual compressive stress after LSP were significantly increased. • The increased diffusion paths for elements helped to form oxidation films quickly. • Hot corrosion resistance of GH202 after LSP was significantly improved.« less

Introducing ab initio based neural networks for transition-rate prediction in kinetic Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Messina, Luca; Castin, Nicolas; Domain, Christophe; Olsson, Pär

2017-02-01

The quality of kinetic Monte Carlo (KMC) simulations of microstructure evolution in alloys relies on the parametrization of point-defect migration rates, which are complex functions of the local chemical composition and can be calculated accurately with ab initio methods. However, constructing reliable models that ensure the best possible transfer of physical information from ab initio to KMC is a challenging task. This work presents an innovative approach, where the transition rates are predicted by artificial neural networks trained on a database of 2000 migration barriers, obtained with density functional theory (DFT) in place of interatomic potentials. The method is tested on copper precipitation in thermally aged iron alloys, by means of a hybrid atomistic-object KMC model. For the object part of the model, the stability and mobility properties of copper-vacancy clusters are analyzed by means of independent atomistic KMC simulations, driven by the same neural networks. The cluster diffusion coefficients and mean free paths are found to increase with size, confirming the dominant role of coarsening of medium- and large-sized clusters in the precipitation kinetics. The evolution under thermal aging is in better agreement with experiments with respect to a previous interatomic-potential model, especially concerning the experiment time scales. However, the model underestimates the solubility of copper in iron due to the excessively high solution energy predicted by the chosen DFT method. Nevertheless, this work proves the capability of neural networks to transfer complex ab initio physical properties to higher-scale models, and facilitates the extension to systems with increasing chemical complexity, setting the ground for reliable microstructure evolution simulations in a wide range of alloys and applications.

Microstructure development and texture evolution of aluminum multi-port extrusion tube during the porthole die extrusion

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

Fan, X.H.

Aluminum multi-port extrusion tube is processed by the porthole die extrusion and the internal tube walls are welded through the solid state metallurgical bonding. In order to observe the development of grains and their orientations under severe plastic deformation and solid state welding, the extrusion butt together with the die is quenched immediately after extrusion to preserve the grain structure in the processing. The forming histories of selected material points are obtained by analyzing the optical microscopy graph. The evolution of the microstructure along the forming path is characterized by electro backscattered diffraction. It is found that geometrical dynamic recrystallizationmore » happens in the process. Grains are elongated, scattered at the transition zone and shear intensive zone, and then pinched off when they are pushed out from the die orifice. The shear-type orientations are predominant at the surface layer on the longitudinal section of the tube web and have penetrated into the intermediate layer. The rolling-type orientations are formed at the central layer. Texture gradient through the thickness of the tube web is observed. And cube orientated grains are found at the seam weld region. - Highlights: •Microstructure of extrusion butt is preserved after the micro scale porthole die extrusion. •Grain morphology history along forming path is investigated. •Texture evolutions on three material flows are present. •Texture gradient exists on the longitudinal section of the internal wall of profile. •Rolling-type and cube textures are found at the solid state welding region.« less

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

Nesterova, E.V.; Bouvier, S.; Bacroix, B.

Transmission electron microscopy (TEM) microstructures of a high-strength dual-phase steel DP800 have been examined after moderate plastic deformations in simple shear and uniaxial tension. Special attention has been paid to the effect of the intergranular hard phase (martensite) on the microstructure evolution in the near-grain boundary regions. Quantitative parameters of dislocation patterning have been determined and compared with the similar characteristics of previously examined single-phase steels. The dislocation patterning in the interiors of the ferrite grains in DP800 steel is found to be similar to that already observed in the single-phase IF (Interstitial Free) steel whereas the martensite-affected zones presentmore » a delay in patterning and display very high gradients of continuous (gradual) disorientations associated with local internal stresses. The above stresses are shown to control the work-hardening of dual-phase materials at moderate strains for monotonic loading and are assumed to influence their microstructure evolution and mechanical behavior under strain-path changes. - Highlights: • The microstructure evolution has been studied by TEM in a DP800 steel. • It is influenced by both martensite and dislocations in the initial state. • The DP800 steel presents a high work-hardening rate due to internal stresses.« less

On the toughness scatter in low alloy C-Mn steel samples fabricated using wire arc additive manufacturing

DOE PAGES

Sridharan, Niyanth S.; Noakes, Mark W.; Nycz, Andrzej; ...

2017-12-06

Low alloy carbon manganese (C-Mn) steel builds were fabricated using a wire based additive manufacturing system developed at Oak Ridge National Laboratory. Specimens were fabricated in the X,Y and Z direction and detailed mechanical testing was performed. The mechanical testing results showed a significant scatter in tensile ductility and significant variation in Charpy toughness. Further detailed microstructure characterization showed significant microstructural heterogeneity in builds fabricated in each direction. The scatter in mechanical properties was then rationalized based on the microstructural observations and the underlying changes in the local heat transfer conditions. Lastly, the results indicate that when fabricating parts usingmore » C-Mn low alloy steel welds the process parameters and tool path should be chosen such that the cooling rate from 800 °C to 500 °C is greater than 30 s to avoid formation of martensite austenite (MA) phases, which leads to toughness reductions.« less

On the toughness scatter in low alloy C-Mn steel samples fabricated using wire arc additive manufacturing

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

Sridharan, Niyanth S.; Noakes, Mark W.; Nycz, Andrzej

Low alloy carbon manganese (C-Mn) steel builds were fabricated using a wire based additive manufacturing system developed at Oak Ridge National Laboratory. Specimens were fabricated in the X,Y and Z direction and detailed mechanical testing was performed. The mechanical testing results showed a significant scatter in tensile ductility and significant variation in Charpy toughness. Further detailed microstructure characterization showed significant microstructural heterogeneity in builds fabricated in each direction. The scatter in mechanical properties was then rationalized based on the microstructural observations and the underlying changes in the local heat transfer conditions. Lastly, the results indicate that when fabricating parts usingmore » C-Mn low alloy steel welds the process parameters and tool path should be chosen such that the cooling rate from 800 °C to 500 °C is greater than 30 s to avoid formation of martensite austenite (MA) phases, which leads to toughness reductions.« less

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.

Finite element simulation of texture evolution and Swift effect in NiAl under torsion

NASA Astrophysics Data System (ADS)

Böhlke, Thomas; Glüge, Rainer; Klöden, Burghardt; Skrotzki, Werner; Bertram, Albrecht

2007-09-01

The texture evolution and the Swift effect in NiAl under torsion at 727 °C are studied by finite element simulations for two different initial textures. The material behaviour is modelled by an elastic-viscoplastic Taylor model. In order to overcome the well-known shortcomings of Taylor's approach, the texture evolution is also investigated by a representative volume element (RVE) with periodic boundary conditions and a compatible microstructure at the opposite faces of the RVE. Such a representative volume element takes into account the grain morphology and the grain interaction. The numerical results are compared with experimental data. It is shown that the modelling of a finite element based RVE leads to a better prediction of the final textures. However, the texture evolution path is not accounted for correctly. The simulated Swift effect depends much more on the initial orientation distribution than observed in experiment. Deviations between simulation and experiment may be due to continuous dynamic recrystallization.

Applying a foil queue micro-electrode in micro-EDM to fabricate a 3D micro-structure

NASA Astrophysics Data System (ADS)

Xu, Bin; Guo, Kang; Wu, Xiao-yu; Lei, Jian-guo; Liang, Xiong; Guo, Deng-ji; Ma, Jiang; Cheng, Rong

2018-05-01

Applying a 3D micro-electrode in a micro electrical discharge machining (micro-EDM) can fabricate a 3D micro-structure with an up and down reciprocating method. However, this processing method has some shortcomings, such as a low success rate and a complex process for fabrication of 3D micro-electrodes. By focusing on these shortcomings, this paper proposed a novel 3D micro-EDM process based on the foil queue micro-electrode. Firstly, a 3D micro-electrode was discretized into several foil micro-electrodes and these foil micro-electrodes constituted a foil queue micro-electrode. Then, based on the planned process path, foil micro-electrodes were applied in micro-EDM sequentially and the micro-EDM results of each foil micro-electrode were able to superimpose the 3D micro-structure. However, the step effect will occur on the 3D micro-structure surface, which has an adverse effect on the 3D micro-structure. To tackle this problem, this paper proposes to reduce this adverse effect by rounded corner wear at the end of the foil micro-electrode and studies the impact of machining parameters on rounded corner wear and the step effect on the micro-structure surface. Finally, using a wire cutting voltage of 80 V, a current of 0.5 A and a pulse width modulation ratio of 1:4, the foil queue micro-electrode was fabricated by wire electrical discharge machining. Also, using a pulse width of 100 ns, a pulse interval of 200 ns, a voltage of 100 V and workpiece material of 304# stainless steel, the foil queue micro-electrode was applied in micro-EDM for processing of a 3D micro-structure with hemispherical features, which verified the feasibility of this process.

Nanoscale multiphase phase field approach for stress- and temperature-induced martensitic phase transformations with interfacial stresses at finite strains

NASA Astrophysics Data System (ADS)

Basak, Anup; Levitas, Valery I.

2018-04-01

A thermodynamically consistent, novel multiphase phase field approach for stress- and temperature-induced martensitic phase transformations at finite strains and with interfacial stresses has been developed. The model considers a single order parameter to describe the austenite↔martensitic transformations, and another N order parameters describing N variants and constrained to a plane in an N-dimensional order parameter space. In the free energy model coexistence of three or more phases at a single material point (multiphase junction), and deviation of each variant-variant transformation path from a straight line have been penalized. Some shortcomings of the existing models are resolved. Three different kinematic models (KMs) for the transformation deformation gradient tensors are assumed: (i) In KM-I the transformation deformation gradient tensor is a linear function of the Bain tensors for the variants. (ii) In KM-II the natural logarithms of the transformation deformation gradient is taken as a linear combination of the natural logarithm of the Bain tensors multiplied with the interpolation functions. (iii) In KM-III it is derived using the twinning equation from the crystallographic theory. The instability criteria for all the phase transformations have been derived for all the kinematic models, and their comparative study is presented. A large strain finite element procedure has been developed and used for studying the evolution of some complex microstructures in nanoscale samples under various loading conditions. Also, the stresses within variant-variant boundaries, the sample size effect, effect of penalizing the triple junctions, and twinned microstructures have been studied. The present approach can be extended for studying grain growth, solidifications, para↔ferro electric transformations, and diffusive phase transformations.

Hydromechanical behavior of heterogeneous carbonate rock under proportional triaxial loadings

NASA Astrophysics Data System (ADS)

Dautriat, JéRéMie; Gland, Nicolas; Dimanov, Alexandre; Raphanel, Jean

2011-01-01

The influence of stress paths representative of reservoir conditions on the poromechanical behavior and coupled directional permeabilities evolution of a heterogeneous carbonate has been studied. Our experimental methodology is based on performing confined compression tests keeping constant a stress path coefficient K = Δσr/Δσa ratio of the radial and axial stress magnitudes, commonly assumed to be representative of reservoir stress state evolution during production. The experiments are performed in a triaxial cell specially designed to measure the permeability in two orthogonal directions, along and transverse to the direction of maximum stress. The tested rock is a heterogeneous bioclastic carbonate, the Estaillades limestone, with a bimodal porosity, of mean value around 28% and a moderate permeability of mean value 125 mdarcy. Microstructural analyses of initial and deformed samples have been performed combining X-ray tomography and microtomography, scanning electron microscopy (SEM) observations, and mercury injection porosimetry. The microstructural heterogeneity, observable by SEM, is characterized by the arrangement of the micrograins of calcite in either dense or microporous aggregates surrounded by larger pores. The spatial distribution of the two kinds of aggregates is responsible for important density fluctuations throughout the samples, recorded by X-ray tomography, which characterizes the mesoheterogeneity. We show that this mesoheterogeneity is a source of a large directional variability of permeability for a given specimen and also from sample to sample. In addition, the fluctuation of the porosity in the tested set of samples, from 24% to 31%, is an expression of the macroheterogeneity. Macroscopic mechanical data and the stress path dependency of porosity and permeability have been measured in the elastic, brittle, and compaction regimes. No significant effect of the stress path on the evolution of directional permeabilities is observed in the elastic regime. At failure, according to the selected stress path, either a limited or a drastic permeability decrease takes place. From the postmortem observations at different scales, we clearly show the impact of the mesoheterogeneities on the localization of compaction, and we identify the precursor of the shear-enhanced compaction and pore collapse mechanisms (for K ≥ 0.25) as an intense microcracking affecting only the denser aggregates. Applying an effective medium theory adapted to our observations, we propose a porosity scaling to normalize the pressures at failure. It is then found that the normalized critical pressures evolve linearly with the stress path coefficient. Consequently, we put forward a new definition of the yield cap for this type of carbonate, which is parameterized by the stress path coefficient.

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 application of compressive sampling in rapid ultrasonic computerized tomography (UCT) technique of steel tube slab (STS)

PubMed Central

Jiang, Baofeng; Jia, Pengjiao; Zhao, Wen; Wang, Wentao

2018-01-01

This paper explores a new method for rapid structural damage inspection of steel tube slab (STS) structures along randomly measured paths based on a combination of compressive sampling (CS) and ultrasonic computerized tomography (UCT). In the measurement stage, using fewer randomly selected paths rather than the whole measurement net is proposed to detect the underlying damage of a concrete-filled steel tube. In the imaging stage, the ℓ1-minimization algorithm is employed to recover the information of the microstructures based on the measurement data related to the internal situation of the STS structure. A numerical concrete tube model, with the various level of damage, was studied to demonstrate the performance of the rapid UCT technique. Real-world concrete-filled steel tubes in the Shenyang Metro stations were detected using the proposed UCT technique in a CS framework. Both the numerical and experimental results show the rapid UCT technique has the capability of damage detection in an STS structure with a high level of accuracy and with fewer required measurements, which is more convenient and efficient than the traditional UCT technique. PMID:29293593

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

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

The Microstructural and Property Changes of Laser Treated Electrodeposits

DTIC Science & Technology

1981-01-01

corresponds to the center of the LASER beam path. Examination of the underlying steel reveals a transformation which appears to be untempered martensite ...specimen after LASER interaction time of 50 ms. Phase transformations have advanced through the complete thickness of the specimen. ii. Hardness plot through...cooling. 13 This technique of achieving homogeneous phase transformations in the surface with sufficient control of surface depth has formed the basis

A Compendium of Brazed Microstructures For Fission Power Systems Applications

NASA Technical Reports Server (NTRS)

Locci, Ivan E.; Bowman, Cheryl L.

2012-01-01

NASA has been supporting design studies and technology development for fission-based power systems that could provide power to an outpost on the Moon, Mars, or an asteroid. Technology development efforts have included fabrication and evaluation of components used in a Stirling engine power conversion system. This investigation is part of the development of several braze joints crucial for the heat exchanger transfer path from a hot-side heat exchanger to a Stirling engine heat acceptor. Dissimilar metal joints are required to impart both mechanical strength and thermal path integrity for a heater head of interest. Preliminary design work for the heat exchanger involved joints between low carbon stainless steel to Inconel 718, where the 316L stainless steel would contain flowing liquid metal NaK while Inconel 718, a stronger alloy, would be used as structural reinforcement. This paper addressed the long-term microstructural stability of various braze alloys used to join 316L stainless steel heater head to the high conductivity oxygen-free copper acceptor to ensure the endurance of the critical metallic components of this sophisticated heat exchanger. The bonding of the 316L stainless steel heater head material to a copper heat acceptor is required to increase the heat-transfer surface area in contact with flowing He, which is the Stirling engine working fluid.

How microfracture roughness can be used to distinguish between exhumed cracks and in-situ flow paths in shales

NASA Astrophysics Data System (ADS)

Pluymakers, Anne; Kobchenko, Maya; Renard, François

2017-01-01

Flow through fractures in shales is of importance to many geoengineering purposes. Shales are not only caprocks to hydrocarbon reservoirs and nuclear waste or CO2 storage sites, but also potential source and reservoir rocks for hydrocarbons. The presence of microfractures in shales controls their permeability and transport properties. Using X-ray micro-tomography and white light interferometry we scanned borehole samples obtained from 4 km depth in the Pomeranian shales in Poland. These samples contain open exhumation/drying cracks as well as intact vein-rock interfaces plus one striated slip surface. At micron resolution and above tensile drying cracks exhibit a power-law roughness with a scaling exponent, called the Hurst exponent H, of 0.3. At sub-micron resolution we capture the properties of the clay interface only, with H = 0.6. In contrast, the in-situ formed veins and slip surface exhibit H = 0.4-0.5, which is deemed representative for in-situ fractures. These results are discussed in relation to the shale microstructure and linear elastic fracture mechanics theory. The data imply that the Hurst roughness exponent can be used as a microstructural criterion to distinguish between exhumation and in-situ fractures, providing a step forward towards the characterization of potential flow paths at depth in shales.

Elastic limit and microplastic response of hardened steels

NASA Astrophysics Data System (ADS)

Zaccone, M. A.; Krauss, G.

1993-10-01

Tempered martensite-retained austenite microstructures were produced by direct quenching a series of 41XX medium carbon steels, direct quenching and reheating a series of five 0.8C-Cr- Ni-Mo steels and intercritically austenitizing at various temperatures, and quenching a SAE 52100 steel. All specimens were tempered either at 150 °C or at 200 °C. Specimens were subjected to compression and tension testing in the microstrain regime to determine the elastic limits and microplastic response of the microstructures. The retained austenite and matrix carbon content of the intercritically austenized specimens were measured by X-ray diffraction and Mossbauer spectroscopy. The elastic limit of the microstructures decreases with increasing amounts of retained austenite. Refining of the austenite distribution increases the elastic limit. Low elastic limits are mainly due to low flow stresses in the austenite and not internal stresses. The elastic limit correlates with the largest austenite free-mean path by a Hall-Petch type equation. The elastic limit increases with decreasing intercritical austenitizing temperature in the SAE 52100 due to (1) a lower carbon content in the matrix reducing the retained austenite levels and (2) retained carbides that refine grain size and, therefore, the austenite distribution in quenched specimens. The microplastic response of stable austenite-martensite composites may be modeled by a rule of mixtures. In the microplastic region, the strain is accommodated by successively smaller austenite regions until the flow strength matches that of the martensite. Reheating and quenching refines the microstructure and renders the austenite unstable in the microplastic regime, causing transformation of the austenite to martensite by a strain-induced mechanism. The transformation of austenite to martensite occurs by a stress-assisted mechanism in medium carbon steels. The low elastic limits in medium carbon steels were due to the inability of the strain from the stress-assisted transformation of austenite to martensite to balance the plastic strain accumulated in the austenite.

Microstructure-Mechanical Property Relationships for a Fe/Mn/Cr Rock Bolt Reinforcing Steel

NASA Astrophysics Data System (ADS)

Panigrahi, B. K.

2010-08-01

The influence of low chromium additions to a 0.25C-1.5Mn semikilled steel on microstructure, and tensile and impact behaviors of high strength rock bolt reinforcing bars has been investigated. Although chromium imparted adequate tensile properties at ambient temperature (yield stress: 624 MPa; ultimate tensile stress: 819 MPa; elongation: 12.5%) by forming transformation products such as tempered martensite, lower and upper bainite, and small amounts of acicular ferrite, it increased the ductile-to-brittle transition temperature due to coarser upper bainite in the core region of bar having larger unit crack paths. The synthesized steel is considered to be effective in realizing the desired tensile properties, and suitable for application in rock bolt, as well as other reinforced concrete structures.

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.

Improving the prediction of the final part geometry in high strength steels U drawing by means of advanced material and friction models

NASA Astrophysics Data System (ADS)

de Argandoña, Eneko Saenz; Mendiguren, Joseba; Otero, Irune; Mugarra, Endika; Otegi, Nagore; Galdos, Lander

2018-05-01

Steel has been used in vehicles from the automotive industry's inception. Different steel grades are continually being developed in order to satisfy new fuel economy requirements. For example, advanced high strength steel grades (AHSS) are widely used due to their good strength/weight ratio. Because each steel grade has a different microstructure composition and hardness, they show different behaviors when they are subjected to different strain paths. Similarly, the friction behavior when using different contact pressures is considerably altered. In the present paper, four different steel grades, ZSt380, DP600, DP780 and Fortiform 1050 materials are deeply characterized using uniaxial and cyclic tension-compression tests. Coefficient of friction (COF) is also obtained using strip drawing tests. These results have been used to calibrate mixed kinematic-hardening material models as well as pressure dependent friction models. Finally, the geometrical accuracy of the different material and friction models has been evaluated by comparing the numerical predictions with experimental demonstrators obtained using a U-Drawing tester.

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

Microstructure Effects on Spall Strength of Titanium-based Bulk Metallic Glass Composites

NASA Astrophysics Data System (ADS)

Diaz, Rene; Hofmann, Douglas; Thadhani, Naresh; Georgia Tech Team; GT-JPL Collaboration

2017-06-01

The spall strength of Ti-based metallic glass composites is investigated as a function of varying volume fractions (0-80%) of in-situ formed crystalline dendrites. With increasing dendrite content, the topology changes such that neither the harder glass nor the softer dendrites dominate the microstructure. Plate-impact experiments were performed using the 80-mm single-stage gas gun over impact stresses up to 18 GPa. VISAR interferometry was used to obtain rear free-surface velocity profiles revealing the velocity pullback spall failure signals. The spall strengths were higher than for Ti-6Al-4V alloy, and remained high up to impact stress. The influence of microstructure on the spall strength is indicated by the constants of the power law fit with the decompression strain rate. Differences in fracture behavior reveal void nucleation as a dominant mechanism affecting the spall strength. The microstructure with neither 100% glass nor with very high crystalline content, provides the most tortuous path for fracture and therefore highest spall strength. The results allow projection of spall strength predictions for design of in-situ formed metallic glass composites. ARO Grant # W911NF-09 ``1-0403 NASA JPL Contract # 1492033 ``Prime # NNN12AA01C; NSF GRFP Grant #DGE-1148903; and NDSE & G.

Overview of Materials Qualification Needs for Metal Additive Manufacturing

NASA Astrophysics Data System (ADS)

Seifi, Mohsen; Salem, Ayman; Beuth, Jack; Harrysson, Ola; Lewandowski, John J.

2016-03-01

This overview highlights some of the key aspects regarding materials qualification needs across the additive manufacturing (AM) spectrum. AM technology has experienced considerable publicity and growth in the past few years with many successful insertions for non-mission-critical applications. However, to meet the full potential that AM has to offer, especially for flight-critical components (e.g., rotating parts, fracture-critical parts, etc.), qualification and certification efforts are necessary. While development of qualification standards will address some of these needs, this overview outlines some of the other key areas that will need to be considered in the qualification path, including various process-, microstructure-, and fracture-modeling activities in addition to integrating these with lifing activities targeting specific components. Ongoing work in the Advanced Manufacturing and Mechanical Reliability Center at Case Western Reserve University is focusing on fracture and fatigue testing to rapidly assess critical mechanical properties of some titanium alloys before and after post-processing, in addition to conducting nondestructive testing/evaluation using micro-computerized tomography at General Electric. Process mapping studies are being conducted at Carnegie Mellon University while large area microstructure characterization and informatics (EBSD and BSE) analyses are being conducted at Materials Resources LLC to enable future integration of these efforts via an Integrated Computational Materials Engineering approach to AM. Possible future pathways for materials qualification are provided.

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

A study of microstructure, quasi-static response, fatigue, deformation and fracture behavior of high strength alloy steels

NASA Astrophysics Data System (ADS)

Kannan, Manigandan

The history of steel dates back to the 17th century and has been instrumental in the betterment of every aspect of our lives ever since, from the pin that holds the paper together to the Automobile that takes us to our destination steel touches everyone every day. Path breaking improvements in manufacturing techniques, access to advanced machinery and understanding of factors like heat treatment, corrosion resistance have aided in the advancement in the properties of steel in the last few years. In this dissertation document, the results of a study aimed at the influence of alloy chemistry, processing and influence of the quasi static and fatigue behavior of seven alloy steels is discussed. The microstructure of the as-received steel was examined and characterized for the nature and morphology of the grains and the presence of other intrinsic features in the microstructure. The tensile, cyclic fatigue and bending fatigue tests were done on a fully automated closed-loop servo-hydraulic test machine at room temperature. The failed samples of high strength steels were examined in a scanning electron microscope for understanding the fracture behavior, especially the nature of loading be it quasi static, cyclic fatigue or bending fatigue . The quasi static and cyclic fatigue fracture behavior of the steels examined coupled with various factors contributing to failure are briefly discussed in light of the conjoint and mutually interactive influences of intrinsic microstructural effects, nature of loading, and stress (load)-deformation-microstructural interactions.

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

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.

A Highly Sensitive Resistive Pressure Sensor Based on a Carbon Nanotube-Liquid Crystal-PDMS Composite.

PubMed

Pan, Jin; Liu, Shiyu; Yang, Yicheng; Lu, Jiangang

2018-06-08

Resistive pressure sensors generally employ microstructures such as pores and pyramids in the active layer or on the electrodes to reduce the Young’s modulus and improve the sensitivity. However, such pressure sensors always exhibit complex fabrication process and have difficulties in controlling the uniformity of microstructures. In this paper, we demonstrated a highly sensitive resistive pressure sensor based on a composite comprising of low-polarity liquid crystal (LPLC), multi-walled carbon nanotube (MWCNT), and polydimethylsiloxane (PDMS) elastomer. The LPLC in the PDMS forms a polymer-dispersed liquid crystal (PDLC) structure which can not only reduce the Young’s modulus but also contribute to the construction of conductive paths in the active layer. By optimizing the concentration of LC in PDMS elastomer, the resistive pressure sensor shows a high sensitivity of 5.35 kPa −1 , fast response (<150 ms), and great durability. Fabrication process is also facile and the uniformity of the microstructures can be readily controlled. The pressure sensor offers great potential for applications in emerging wearable devices and electronic skins.

Strain rate effects on fracture behavior of Austempered Ductile Irons

NASA Astrophysics Data System (ADS)

Ruggiero, Andrew; Bonora, Nicola; Gentile, Domenico; Iannitti, Gianluca; Testa, Gabriel; Hörnqvist Colliander, Magnus; Masaggia, Stefano; Vettore, Federico

2017-06-01

Austempered Ductile Irons (ADIs), combining high strength, good ductility and low density, are candidates to be a suitable alternative to high-strength steels. Nevertheless, the concern about a low ductility under dynamic loads often leads designers to exclude cast irons for structural applications. However, results from dynamic tensile tests contradict this perception showing larger failure strain with respect to quasistatic data. The fracture behaviour of ADIs depends on damage mechanisms occurring in the spheroids of graphite, in the matrix and at their interface, with the matrix (ausferrite) consisting of acicular ferrite in carbon-enriched austenite. Here, a detailed microstructural analysis was performed on the ADI 1050-6 deformed under different conditions of strain rates, temperatures, and states of stress. Beside the smooth specimens used for uniaxial tensile tests, round notched bars to evaluate the ductility reduction with increasing stress triaxiality and tophat geometries to evaluate the propensity to shear localization and the associated microstructural alterations were tested. The aim of the work is to link the mechanical and fracture behavior of ADIs to the load condition through the microstructural modifications that occur for the corresponding deformation path.

Correlation of Fracture Behavior With Microstructure in Friction Stir Welded, and Spin Formed AI-Li 2195 Domes

NASA Technical Reports Server (NTRS)

Tayon, Wesley A.; Domack, Marcia S.; Hales, Stephen J.

2012-01-01

Single-piece, spin-formed domes manufactured from friction stir welded (FSW) plates of Al-Li alloy 2195 have the potential to reduce the cost of fabricating cryogenic propellant tanks. Mechanical properties in the completed domes can be related directly to the final material condition and the microstructures developed. However, these new fabrication techniques have resulted in unexpected material challenges, such as abnormal grain growth in the weld nugget and the propensity for fracture in the adjacent thermo-mechanically affected zone (TMAZ). In this study, the microstructure and texture transformations within the TMAZ are related to fracture location in the vicinity of the weldment. The texture variations in the TMAZ are caused primarily by the varying amounts of shear deformation introduced during the FSW process. Grain morphology and microtexture characteristics are examined as a function of location in the TMAZ via electron backscatter diffraction (EBSD). A strong correlation between fracture location and the presence of texture banding in the TMAZ is observed. The fracture path tends to follow a distinct region of low Taylor Factor (TF) grains.

Correlation of Fracture Behavior with Microstructure in Friction Stir Welded, and Spin-Formed Al-Li 2195 Domes

NASA Astrophysics Data System (ADS)

Tayon, Wesley A.; Domack, Marcia S.; Hales, Stephen J.

Single-piece, spin-formed domes manufactured from friction stir welded (FSW) plates of Al-Li alloy 2195 have the potential to reduce the cost of fabricating cryogenic propellant tanks. Mechanical properties in the completed domes can be related directly to the final material condition and the microstructures developed. However, these new fabrication techniques have resulted in unexpected material challenges, such as abnormal grain growth in the weld nugget and the propensity for fracture in the adjacent thermo-mechanically affected zone (TMAZ). In this study, the microstructure and texture transformations within the TMAZ are related to fracture location in the vicinity of the weldment. The texture variations in the TMAZ are caused primarily by the varying amounts of shear deformation introduced during the FSW process. Grain morphology and microtexture characteristics are examined as a function of location in the TMAZ via electron backscatter diffraction (EBSD). A strong correlation between fracture location and the presence of texture banding in the TMAZ is observed. The fracture path tends to follow a distinct region of low Taylor Factor (TF) grains.

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.

An Improved Instrument for Investigating Planetary Regolith Microstructure

NASA Technical Reports Server (NTRS)

Nelson, R. M.; Hapke, B. W.; Smythe, W. D.; Manatt, K. S.; Eddy, J.

2005-01-01

The Opposition Effect (OE) is the non-linear increase in the intensity of light scattered from a surface as phase angle approaches 0 deg. It is seen in laboratory experiments and in remote sensing observations of planetary surfaces. Understanding the OE is a requirement for fitting photometric models which produce meaningful results about regolith texture. Previously we have reported measurements from the JPL long arm goniometer and we have shown that this instrument enables us to distinguish between two distinct processes which create the opposition surges, Shadow Hiding (SHOE) and Coherent Backscattering (CBOE). SHOE arises because, as phase angle approaches zero, shadows cast by regolith grains on other grains become invisible to the observer. CBOE results from constructive interference between rays traveling the same path but in opposite directions. Additional information is included in the original extended abstract.

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

Effect of Different Thermomechanical Processes on the Microstructure, Texture, and Mechanical Properties of API 5L X70 Steel

NASA Astrophysics Data System (ADS)

Masoumi, Mohammad; Echeverri, Edwan Anderson Ariza; Silva, Cleiton Carvalho; Béreš, Miloslav; de Abreu, Hamilton Ferreira Gomes

2018-03-01

A commercial API 5L X70 steel plate was subjected to different thermomechanical processes to propose a novel thermomechanical rolling path to achieve improved mechanical properties. Scanning electron microscopy, electron backscatter diffraction, and x-ray texture analysis were employed for microstructural characterization. The results showed that strain-free recrystallized {001} ferrite grains that developed at higher rolling temperature could not meet the American Petroleum Institute (API) requirements. Also, refined and work-hardened grains that have formed in the intercritical region with high stored energy do not provide suitable tensile properties. However, fine martensite-austenite constituents dispersed in ferrite matrix with grains having predominantly {111} and {110} orientations parallel to the normal direction that developed under isothermal rolling at 850 °C provided an outstanding combination of tensile strength and ductility.

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

Microprobe monazite geochronology: new techniques for dating deformation and metamorphism

NASA Astrophysics Data System (ADS)

Williams, M.; Jercinovic, M.; Goncalves, P.; Mahan, K.

2003-04-01

High-resolution compositional mapping, age mapping, and precise dating of monazite on the electron microprobe are powerful additions to microstructural and petrologic analysis and important tools for tectonic studies. The in-situ nature and high spatial resolution of the technique offer an entirely new level of structurally and texturally specific geochronologic data that can be used to put absolute time constraints on P-T-D paths, constrain the rates of sedimentary, metamorphic, and deformational processes, and provide new links between metamorphism and deformation. New analytical techniques (including background modeling, sample preparation, and interference analysis) have significantly improved the precision and accuracy of the technique and new mapping and image analysis techniques have increased the efficiency and strengthened the correlation with fabrics and textures. Microprobe geochronology is particularly applicable to three persistent microstructural-microtextural problem areas: (1) constraining the chronology of metamorphic assemblages; (2) constraining the timing of deformational fabrics; and (3) interpreting other geochronological results. In addition, authigenic monazite can be used to date sedimentary basins, and detrital monazite can fingerprint sedimentary source areas, both critical for tectonic analysis. Although some monazite generations can be directly tied to metamorphism or deformation, at present, the most common constraints rely on monazite inclusion relations in porphyroblasts that, in turn, can be tied to the deformation and/or metamorphic history. Examples will be presented from deep-crustal rocks of northern Saskatchewan and from mid-crustal rocks from the southwestern USA. Microprobe monazite geochronology has been used in both regions to deconvolute overprinting deformation and metamorphic events and to clarify the interpretation of other geochronologic data. Microprobe mapping and dating are powerful companions to mass spectroscopic dating techniques. They allow geochronology to be incorporated into the microstructural analytical process, resulting in a new level of integration of time (t) into P-T-D histories.

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.

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

A Numerical Method for Simulating the Microscopic Damage Evolution in Composites Under Uniaxial Transverse Tension

NASA Astrophysics Data System (ADS)

Zhi, Jie; Zhao, Libin; Zhang, Jianyu; Liu, Zhanli

2016-06-01

In this paper, a new numerical method that combines a surface-based cohesive model and extended finite element method (XFEM) without predefining the crack paths is presented to simulate the microscopic damage evolution in composites under uniaxial transverse tension. The proposed method is verified to accurately capture the crack kinking into the matrix after fiber/matrix debonding. A statistical representative volume element (SRVE) under periodic boundary conditions is used to approximate the microstructure of the composites. The interface parameters of the cohesive models are investigated, in which the initial interface stiffness has a great effect on the predictions of the fiber/matrix debonding. The detailed debonding states of SRVE with strong and weak interfaces are compared based on the surface-based and element-based cohesive models. The mechanism of damage in composites under transverse tension is described as the appearance of the interface cracks and their induced matrix micro-cracking, both of which coalesce into transversal macro-cracks. Good agreement is found between the predictions of the model and the in situ experimental observations, demonstrating the efficiency of the presented model for simulating the microscopic damage evolution in composites.

Effect of geometrical parameters on pressure distributions of impulse manufacturing technologies

NASA Astrophysics Data System (ADS)

Brune, Ryan Carl

Impulse manufacturing techniques constitute a growing field of methods that utilize high-intensity pressure events to conduct useful mechanical operations. As interest in applying this technology continues to grow, greater understanding must be achieved with respect to output pressure events in both magnitude and distribution. In order to address this need, a novel pressure measurement has been developed called the Profile Indentation Pressure Evaluation (PIPE) method that systematically analyzes indentation patterns created with impulse events. Correlation with quasi-static test data and use of software-assisted analysis techniques allows for colorized pressure maps to be generated for both electromagnetic and vaporizing foil actuator (VFA) impulse forming events. Development of this technique aided introduction of a design method for electromagnetic path actuator systems, where key geometrical variables are considered using a newly developed analysis method, which is called the Path Actuator Proximal Array (PAPA) pressure model. This model considers key current distribution and proximity effects and interprets generated pressure by considering the adjacent conductor surfaces as proximal arrays of individual conductors. According to PIPE output pressure analysis, the PAPA model provides a reliable prediction of generated pressure for path actuator systems as local geometry is changed. Associated mechanical calculations allow for pressure requirements to be calculated for shearing, flanging, and hemming operations, providing a design process for such cases. Additionally, geometry effect is investigated through a formability enhancement study using VFA metalworking techniques. A conical die assembly is utilized with both VFA high velocity and traditional quasi-static test methods on varied Hasek-type sample geometries to elicit strain states consistent with different locations on a forming limit diagram. Digital image correlation techniques are utilized to measure major and minor strains for each sample type to compare limit strain results. Overall testing indicated decreased formability at high velocity for 304 DDQ stainless steel and increased formability at high velocity for 3003-H14 aluminum. Microstructural and fractographic analysis helped dissect and analyze the observed differences in these cases. Overall, these studies comprehensively explore the effects of geometrical parameters on magnitude and distribution of impulse manufacturing generated pressure, establishing key guidelines and models for continued development and implementation in commercial applications.

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

Microstructures, Forming Limit and Failure Analyses of Inconel 718 Sheets for Fabrication of Aerospace Components

NASA Astrophysics Data System (ADS)

Sajun Prasad, K.; Panda, Sushanta Kumar; Kar, Sujoy Kumar; Sen, Mainak; Murty, S. V. S. Naryana; Sharma, Sharad Chandra

2017-04-01

Recently, aerospace industries have shown increasing interest in forming limits of Inconel 718 sheet metals, which can be utilised in designing tools and selection of process parameters for successful fabrication of components. In the present work, stress-strain response with failure strains was evaluated by uniaxial tensile tests in different orientations, and two-stage work-hardening behavior was observed. In spite of highly preferred texture, tensile properties showed minor variations in different orientations due to the random distribution of nanoprecipitates. The forming limit strains were evaluated by deforming specimens in seven different strain paths using limiting dome height (LDH) test facility. Mostly, the specimens failed without prior indication of localized necking. Thus, fracture forming limit diagram (FFLD) was evaluated, and bending correction was imposed due to the use of sub-size hemispherical punch. The failure strains of FFLD were converted into major-minor stress space ( σ-FFLD) and effective plastic strain-stress triaxiality space ( ηEPS-FFLD) as failure criteria to avoid the strain path dependence. Moreover, FE model was developed, and the LDH, strain distribution and failure location were predicted successfully using above-mentioned failure criteria with two stages of work hardening. Fractographs were correlated with the fracture behavior and formability of sheet metal.

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

Effect of processing induced particle alignment on the fracture toughness and fracture behavior of multiphase dental ceramics.

PubMed

Gonzaga, Carla C; Okada, Cristina Yuri; Cesar, Paulo F; Miranda, Walter G; Yoshimura, Humberto N

2009-11-01

To investigate the processing induced particle alignment on fracture behavior of four multiphase dental ceramics (one porcelain, two glass-ceramics and a glass-infiltrated-alumina composite). Disks (Ø12 mm x 1.1mm-thick) and bars (3 mm x 4 mm x 20 mm) of each material were processed according to manufacturer instructions, machined and polished. Fracture toughness (K(Ic)) was determined by the indentation strength method using 3-point bending and biaxial flexure fixtures for the fracture of bars and disks, respectively. Microstructural and fractographic analyses were performed with scanning electron microscopy, energy dispersive spectroscopy and X-ray diffraction. The isotropic microstructure of the porcelain and the leucite-based glass-ceramic resulted in similar fracture toughness values regardless of the specimen geometry. On the other hand, materials containing second-phase particles with high aspect ratio (lithium disilicate glass-ceramic and glass-infiltrated-alumina composite) showed lower fracture toughness for disk specimens compared to bars. For the lithium disilicate glass-ceramic disks, it was demonstrated that the occurrence of particle alignment during the heat-pressing procedure resulted in an unfavorable pattern that created weak microstructural paths during the biaxial test. For the glass-infiltrated-alumina composite, the microstructural analysis showed that the large alumina platelets tended to align their large surfaces perpendicularly to the direction of particle deposition during slip casting of green preforms. The fracture toughness of dental ceramics with anisotropic microstructure should be determined by means of biaxial testing, since it results in lower values.

Mechanical properties of low-alloy-steels with bainitic microstructures and varying carbon content

NASA Astrophysics Data System (ADS)

Weber, A.; Klarner, J.; Vogl, T.; Schöngrundner, R.; Sam, G.; Buchmayr, B.

2016-03-01

Materials used in the oilfield industry are subjected to special conditions. These requirements for seamless steel tubes are between the priorities of strength, toughness and sour gas resistance. Steels with bainitic microstructure provide a great opportunity for those harsh environmental conditions. With different morphologies of bainite, like carbide free, upper or lower bainite, the interaction of high tensile strength and elongation is assumed to be better than with tempered martensite. To form carbide free bainite two ways of processing are proposed, isothermal holding with accurate time control or controlled continuous cooling. Both require knowledge of time-temperature transformation behaviour, which can be reached through a detailed alloying concept, focused on the influence of silicon to supress the carbide nucleation and chromium to stabilize the austenite fraction. The present work is based on three alloys with varying silicon and chromium contents. The carbide free microstructure is obtained by a continuous cooling path. Additionally different heat treatments were done to compare the inherent performance of the bainitic morphologies. The bainitic structures were characterized metallographically for their microstructure and the primary phase by means of transmission electron microscopy. The mechanical properties of carbide-free structures were analysed with quasi-static tensile tests and Charpy impact tests. Moreover, investigations about hydrogen embrittlement were done with focus on the effect of retained austenite. The results were ranked and compared qualitatively.

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.

Effects of Stochastic Traffic Flow Model on Expected System Performance

DTIC Science & Technology

2012-12-01

NSWC-PCD has made considerable improvements to their pedestrian flow modeling . In addition to the linear paths, the 2011 version now includes...using stochastic paths. 2.2 Linear Paths vs. Stochastic Paths 2.2.1 Linear Paths and Direct Maximum Pd Calculation Modeling pedestrian traffic flow...as a stochastic process begins with the linear path model . Let the detec- tion area be R x C voxels. This creates C 2 total linear paths, path(Cs

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

Three-dimensional flow characteristics of aluminum alloy in multi-pass equal channel angular pressing

NASA Astrophysics Data System (ADS)

Jin, Young-Gwan; Son, Il-Heon; Im, Yong-Taek

2010-06-01

Experiments with a square specimen made of commercially pure aluminum alloy (AA1050) were conducted to investigate deformation behaviour during a multi-pass Equal Channel Angular Pressing (ECAP) for routes A, Bc, and C up to four passes. Three-dimensional finite element numerical simulations of the multi-pass ECAP were carried out in order to evaluate the influence of processing routes and number of passes on local flow behaviour by applying a simplified saturation model of flow stress under an isothermal condition. Simulation results were investigated by comparing them with the experimentally measured data in terms of load variations and microhardness distributions. Also, transmission electron microscopy analysis was employed to investigate the microstructural changes. The present work clearly shows that the three-dimensional flow characteristics of the deformed specimen were dependent on the strain path changes due to the processing routes and number of passes that occurred during the multi-pass ECAP.

A dual-porous, biophysical void structure model of soil for the understanding of the conditions causing nitrous oxide emission

NASA Astrophysics Data System (ADS)

Matthews, G. Peter; Maurizio Laudone, G.; Whalle, W. Richard; Bird, Nigel; Gregory, Andrew; Cardenas, Laura; Misselbrook, Tom

2010-05-01

Nitrous oxide is the fourth most important greenhouse gas. It is 300 times more potent than carbon dioxide, and two-thirds of anthropogenic nitrous oxide is emitted by agricultural land. This presentation will begin with a brief overview of the laboratory measurements of nitrous oxide emission from carefully characterised soils, presented in more detail by Cardenas et al.. The measurements were made in a twelve-chamber, gas chromatographic apparatus at North Wyke Research (formerly IGER). The presentation will then continue with a description of a void network model of sufficient accuracy and authenticity that it can be used to explain and predict the nitrous oxide production, and the modelling of the biological, chemical and physical processes for the production of nitrous oxide within the constructed network. Finally, conclusions will be drawn from a comparison of the model results with experiment. The void network model Nitrous oxide is produced by microbial activity located in ‘hotspots' within the microstructure of soil, and nutrients and gases flow or diffuse to and from these hotspots through the water or gas-filled macro-porosity. It is clear, therefore, that a network model to describe and explain nitrous oxide production must encompass the full size range of pore space active within the process, which covers 6 orders of magnitude, and must make realistic suppositions about the positional relationship of the hotspots relative to the soil macro-porosity. Previous experimental (Tsakiroglou, C. D. et al, European J.Soil Sci., 2008) and theoretical approaches to the modelling of soil void structure cannot generally meet these two requirements. We have therefore built on the success of the previous uni-porous model of soil (Matthews, G. P. et al, Wat.Resour.Res, 2010), and the concept of a critical percolation path, to develop a dual porous model (Laudone, G. M. et al, European J.Soil Sci., 2010) with the following features: • A porous unit cell, with periodic boundary conditions, and with a critical percolation path with the correct percolation characteristics and void volume of the macro-porosity of the soil. • A solid phase between the pores of the large unit cell, with the correct volume of the fraction of larger soil aggregates (larger 1 mm). • All the remaining pores of the large unit cell, which are not part of the critical percolation path, filled with smaller unit cells, which account for the micro-porosity of the soil sample. We describe the construction of a model that closely matches the following characteristics of a specific example of typical arable soil, taken from the Warren field of the Rothamsted experimental farm at Woburn, although the model can be used for a wide range of soils: (i) macroporosity and microporosity as measured by the water retention curve, (ii) the shape of the water retention characteristic under a wide range of tensions, (iii) the soil texture, and (iv) the extent of irreducible water content. Process model We will describe the insertion of Michaelis-Menten kinetics and Crank-Nicholson diffusion equations into the precisely scaled model, building on previous diffusion modelling (Laudone, G. M. et al, Chem.Eng.Sci., 2008). Comparison with experiment A comparison with experimental results sheds light on (i) the positional relationships of aerobic and anaerobic bacteria relative to the critical percolation path, (ii) the relationship between the critical percolation path and the preferential / critical flow path (Figure 4), (iii) the extent of ignorance about the reaction kinetics of some of the fundamental processes occurring, (iv) the soil conditions that cause nitrous oxide emission, and (v) the effect of soil compaction on the emission. Acknowledgement This presentation is a summary of the some of the work of the BBSRC funded U.K. soil research consortium "Soil Programme for Quality and Resilience" (BB/E001793/1 and others), of which Matthews is principal investigator.

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.

The effect of 45° grain boundaries and associated Fe particles on Jc and resistivity in Ba(Fe0.9Co0.1)2As2 thin films

NASA Astrophysics Data System (ADS)

Hänisch, J.; Iida, K.; Kurth, F.; Thersleff, T.; Trommler, S.; Reich, E.; Hühne, R.; Schultz, L.; Holzapfel, B.

2014-01-01

The anisotropy of the critical current density Jc depends in general on both the properties of the flux lines (such as line tension, coherence length and penetration depth) and the properties of the defects (such as density, shape, orientation etc.). Whereas the Jc anisotropy in microstructurally clean films can be scaled to an effective magnetic field containing the Ginzburg-Landau anisotropy term, it is in general not possible (or only in a limited field range) for samples containing extended defects. Here, the Jc anisotropy of a Co-doped BaFe2As2 sample with 45° [001] tilt grain boundaries (GBs), i.e. grain boundaries created by 45° in-plane rotated grains, as well as extended Fe particles is investigated. This microstructure leads to c-axis correlated pinning, both due to the GBs and the Fe particles and manifests in a c-axis peak in the Jc anisotropy at low magnetic fields and a deviation from the anisotropic Ginzburg-Landau scaling at higher fields. Strong pinning at ellipsoidal extended defects, i.e. the Fe particles, is discussed, and the full Jc anisotropy is fitted successfully with the vortex path model. The results are compared to a sample without GBs and Fe particles. 45° GBs seem to be good pinning centers rather than detrimental to current flow.

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

Microstructure and Hydrogen-Induced Failure Mechanisms in Fe and Ni Alloy Weldments

NASA Astrophysics Data System (ADS)

Fenske, J. A.; Robertson, I. M.; Ayer, Raghavan; Hukle, Martin; Lillig, Dan; Newbury, Brian

2012-09-01

The microstructure and fracture morphology of AISI 8630-IN625 and ASTM A182-F22-IN625 dissimilar metal weld interfaces were compared and contrasted as a function of postweld heat treatment (PWHT) duration. For both systems, the microstructure along the weld interface consisted of a coarse grain heat-affected zone in the Fe-base metal followed by discontinuous martensitic partially mixed zones and a continuous partially mixed zone on the Ni side of the fusion line. Within the partially mixed zone on the Ni side, there exists a 200-nm-wide transition zone within a 20- μm-wide planar solidification region followed by a cellular dendritic region with Nb-Mo-rich carbides decorating the dendrite boundaries. Although there were differences in the volume of the partially mixed zones, the major difference in the metal weld interfaces was the presence of M7C3 precipitates in the planar solidification region, which had formed in AISI 8630-IN625 but not in ASTM A182-F22-IN625. These precipitates make the weldment more susceptible to hydrogen embrittlement and provide a low energy fracture path between the discontinuous partially mixed zones.

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

NASA Astrophysics Data System (ADS)

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

2017-03-01

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

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.

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.

Dynamic energy release rate in couple-stress elasticity

NASA Astrophysics Data System (ADS)

Morini, L.; Piccolroaz, A.; Mishuris, G.

2013-07-01

This paper is concerned with energy release rate for dynamic steady state crack problems in elastic materials with microstructures. A Mode III semi-infinite crack subject to loading applied on the crack surfaces is considered. The micropolar behaviour of the material is described by the theory of couple-stress elasticity developed by Koiter. A general expression for the dynamic J-integral including both traslational and micro-rotational inertial contributions is derived, and the conservation of this integral on a path surrounding the crack tip is demonstrated.

Metamorphic conditions during formation of a metapelitic sillimanite-garnet gneiss from Clemence Massif, Prince Charles Mountains, East Antarctica

USGS Publications Warehouse

Corvino, A.F.; Boger, S.D.; Wilson, C.J.L.

2007-01-01

SiO2–H2O–TiO2–Fe2O3 (MnNCKFMASHTO). Calculated mineral equilibria for the appropriate bulk composition predict that the observed assemblage, of K-feldspar–garnet–quartz–sillimanite–biotite–ilmenite–rutile, stabilised at approximately 8–9 kbar and 760–790ºC. Reaction microstructures are rare, but the preservation of relic spinel inclusions in garnet indicates an earlier low-P, high-T component and possible anticlockwise path.

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.

The effect of the pore-fluid factor on strength and failure mechanism of Wilkeson sandstone

NASA Astrophysics Data System (ADS)

Kätker, A. K.; Rempe, M.; Renner, J.

2016-12-01

The effective stress law, σn,eff = σn - αpf, is a central tool in analysing phenomena related to hydromechanical coupling, such as fluid-induced seismicity or aftershock activity. The effective-stress coefficient α assumes different values for specific physical properties and may deviate from 1. The limited number of studies suggest that brittle compressive strength obeys an effective-stress law when effective drainage is achieved. Yet, open questions remain regarding, e.g., the role of the loading path. We performed suites of triaxial compression tests on samples of Wilkeson sandstone at a range of pore-fluid pressures but identical effective confining pressure (60, 100, and 120 MPa) maintaining the pore-fluid factor λ = pf / pc constant (0.05, 0.2, 0.4, 0.55) during the isostatic loading stage to ensure uniform loading paths. Samples were shortened with a strain rate of 4×10-7 s-1 yielding drained conditions. All tests were terminated at a total axial strain of 4.5% for comparability of microstructures. The tests also included continuous permeability determination and ultrasonic p-wave-velocity measurements to monitor microstructural evolution. Results from experiments conducted at peff = 100 MPa show that dry samples exhibit a higher peak strength and brittle failure while water-saturated samples tend to deform at lower stress by cataclastic flow indicating physico-chemical weakening. Regardless of pore-fluid factor, the saturated experiments exhibit similar peak and residual strength. Differences in failure mechanism (degree of macroscopic localization) and volumetric strain evolution are however noticed, albeit without systematic relation to pore-fluid factor. Microstructure analyses by optical and scanning electron microscopy revealed an evolution from localized shear zones in dry experiments and experiments with a low pore-fluid factor to rather distributed cataclastic flow for experiments with high pore fluid factors. Yet, mechanical and structural differences observed so far may result from sample-to-sample variability and the proximity of the experimental conditions to the brittle-ductile transition.

Dependence of critical current density on microstructure and processing of high-T(c) superconductors

NASA Astrophysics Data System (ADS)

Goyal, A.; Specht, E. D.; Wang, Z. L.; Kroeger, D. M.; Sutliff, J. A.; Tkaczyk, J. E.; Deluca, J. A.; Masur, L.; Riley, G. N., Jr.

Microstructural origins for reduced weak-link behavior in high-J(sup c) melt-processed YBCO, spray pyrolyzed thick films of Tl-1223, metallic precursor Y-124 polycrystalline powder-in-tube (PIT) wires and PIT Bi-2212/2223 are discussed. Since the materials studied are the highest J(sub c), polycrystalline, high-T(sub c) superconductors fabricated worldwide, the results provide important guidelines for further improvements in superconducting properties, thereby enabling practical applications of these materials. It is found that strongly linked current flow within domains of melt-processed 123 occurs effectively through a single crystal path. In c-axis oriented, polycrystalline Tl-1223 thick films, local in-plane texture has been found to play a crucial role in the reduced weak-link behavior. Formation of 'colonies' of grains with a common c-axis and modest in-plane misorientation was observed. Furthermore, a colony boundary in general has a varying misorientation along the boundary. Large regions comprised primarily of low angle boundaries were observed. Percolative transport through a network of such small angle boundaries appears to provide the non-weak-linked current path. Although powder-in-tube BSCCO 2212 and 2223 also appear to have a 'colony' microstructure, there are some important differences. Colonies in BSCCO consist of stacks of grains with similar c-axis orientation in contrast to colonies in Tl-1223 films where few grains are stacked on top of one another. In the case of Y-124 wires, weak macroscopic in-plane texture is found. Additional measurements are underway to determine if a sharper, local in-plane texture also exists. It is found that in three of the four types of superconductors studied, reduced weak-link behavior can be ascribed to some degree of biaxial alignment between grains, either on a 'local' or a 'global' scale.

Advances in stereomicroscopy

NASA Astrophysics Data System (ADS)

Schnitzler, H.; Zimmer, Klaus-Peter

2008-09-01

Similar to human's binocular vision, stereomicroscopes are comprised of two optical paths under a convergence angle providing a full perspective insight into the world's microstructure. The numerical aperture of stereomicroscopes has continuously increased over the years, reaching the point where the lenses of left and right perspective paths touched each other. This constraint appeared as an upper limit for the resolution of stereomicroscopes, as the resolution of a stereomicroscope was deduced from the numerical apertures of the two equally sized perspective channels. We present the optical design and advances in resolution of the world's first asymmetrical stereomicroscope, which is a technological breakthrough in many aspects of stereomicroscopes. This unique approach uses a large numerical aperture and thus an, so far, unachievable high lateral resolution in the one path, and a small aperture in the other path, which provides a high depth of field ("Fusion Optics"). This new concept is a technical challenge for the optical design of the zoom system as well as for the common main objectives. Furthermore, the new concept makes use of the particular way in which perspective information by binocular vision is formed in the human's brain. In conjunction with a research project at the University of Zurich, Leica Microsystems consolidated the functionality of this concept in to a new generation of stereomicroscopes.

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.

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

Digital Rock Physics of hydrate-bearing sediments: Determination of effective elastic properties on the microscale

NASA Astrophysics Data System (ADS)

Sell, Kathleen; Saenger, Erik H.; Quintal, Beatriz; Enzmann, Frieder; Kersten, Michael

2017-04-01

To date, very little is known about the distribution of natural gas hydrates in sedimentary matrices and its influence on the seismic properties of the host rock, in particular at low hydrate concentration. Digital rock physics offers a unique approach to this issue yet requires good quality, high resolution 3D representations for the accurate modelling of petrophysical and transport properties. Although such models are readily available via in-situ synchrotron radiation X-ray tomography the analysis of such data asks for complex workflows and high computational power to maintain valuable results. More recently digital rock physics took also on data from a fairly new group of techniques focused on in-situ studies recreating complex settings that cannot be easily accessed by conventional means. Here, we present a best-practise procedure complementing high-resolution synchrotron-tomography data of hydrate-bearing sedimentary matrices from Chaouachi et al. (2015) with data post-processing, including image enhancement and segmentation as well as exemplary numerical simulations of acoustic wave propagation in 3D on realistic rock using the derived results. A combination of the tomography and 3D modelling opens a path to a more reliable deduction of properties of gas hydrate bearing sediments without a reliance on idealised and frequently imprecise models (Sell et al. 2016). The advantage of this method over traditional, often oversimplified models lays in a more faithful description of complex pore geometries and microstructures found in natural formations (Andrä et al., 2013b, a). References: Chaouachi, M., Falenty, A., Sell, K., Enzmann, F., Kersten, M., Haberthür, D., and Kuhs, W. F.: Microstructural evolution of gas hydrates in sedimentary matrices observed with synchrotron x-ray computed tomographic microscopy, Geochem. Geophy. Geosy., 16, 1711-1722, 2015. Sell, K., E. H. Saenger, A. Falenty, M. Chaouachi, D. Haberthür, F. Enzmann, W. F. Kuhs, and M. Kersten: On the path to the digital rock physics of gas hydrate-bearing sediments - processing of in situ synchrotron-tomography data, Solid Earth, 7(4), 1243-1258, 2016. Andrä, H., Combaret, N., Dvorkin, J., Glatt, E., Han, J., Kabel, M., Keehm, Y., Krzikalla, F., Lee, M., Madonna, C., Marsh, M., Mukerji, T., Saenger, E. H., Sain, R., Saxena, N., Ricker, S., Wiegmann, A., and Zhan, X.: Digital rock physics benchmarks - Part II: Computing effective properties, Comput. Geosci., 50, 33-43, 2013a. Andrä, H., Combaret, N., Dvorkin, J., Glatt, E., Han, J., Kabel, M., Keehm, Y., Krzikalla, F., Lee, M., Madonna, C., Marsh, M., Mukerji, T., Saenger, E. H., Sain, R., Saxena, N., Ricker, S., Wiegmann, A., and Zhan, X.: Digital rock physics benchmarks - Part I: Imaging and segmentation, Comput. Geosci., 50, 25-32, 2013b.

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.

Multiple-path model of spectral reflectance of a dyed fabric.

PubMed

Rogers, Geoffrey; Dalloz, Nicolas; Fournel, Thierry; Hebert, Mathieu

2017-05-01

Experimental results are presented of the spectral reflectance of a dyed fabric as analyzed by a multiple-path model of reflection. The multiple-path model provides simple analytic expressions for reflection and transmission of turbid media by applying the Beer-Lambert law to each path through the medium and summing over all paths, each path weighted by its probability. The path-length probability is determined by a random-walk analysis. The experimental results presented here show excellent agreement with predictions made by the model.

Fatigue crack propagation behavior of stainless steel welds

NASA Astrophysics Data System (ADS)

Kusko, Chad S.

The fatigue crack propagation behavior of austenitic and duplex stainless steel base and weld metals has been investigated using various fatigue crack growth test procedures, ferrite measurement techniques, light optical microscopy, stereomicroscopy, scanning electron microscopy, and optical profilometry. The compliance offset method has been incorporated to measure crack closure during testing in order to determine a stress ratio at which such closure is overcome. Based on this method, an empirically determined stress ratio of 0.60 has been shown to be very successful in overcoming crack closure for all da/dN for gas metal arc and laser welds. This empirically-determined stress ratio of 0.60 has been applied to testing of stainless steel base metal and weld metal to understand the influence of microstructure. Regarding the base metal investigation, for 316L and AL6XN base metals, grain size and grain plus twin size have been shown to influence resulting crack growth behavior. The cyclic plastic zone size model has been applied to accurately model crack growth behavior for austenitic stainless steels when the average grain plus twin size is considered. Additionally, the effect of the tortuous crack paths observed for the larger grain size base metals can be explained by a literature model for crack deflection. Constant Delta K testing has been used to characterize the crack growth behavior across various regions of the gas metal arc and laser welds at the empirically determined stress ratio of 0.60. Despite an extensive range of stainless steel weld metal FN and delta-ferrite morphologies, neither delta-ferrite morphology significantly influence the room temperature crack growth behavior. However, variations in weld metal da/dN can be explained by local surface roughness resulting from large columnar grains and tortuous crack paths in the weld metal.

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

Electron beam freeform fabrication (EBF3) is a new layer-additive process that has been developed for near-net shape fabrication of complex structures. EBF3 uses an electron beam to create a molten pool on the surface of a substrate. Wire is fed into the molten pool and the part translated with respect to the beam to build up a 3-dimensional structure one layer at a time. Unlike many other freeform fabrication processes, the energy coupling of the electron beam is extremely well suited to processing of aluminum alloys. The layer-additive nature of the 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.

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...

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.

"Self-preservation" of CO(2) gas hydrates--surface microstructure and ice perfection.

PubMed

Falenty, Andrzej; Kuhs, Werner F

2009-12-10

Gas hydrates can exhibit an anomalously slow decomposition outside their thermodynamic stability field; the phenomenon is called "self-preservation" and is mostly studied at ambient pressure and at temperatures between approximately 240 K and the melting point of ice. Here, we present a combination of in situ neutron diffraction studies, pVT work, and ex situ scanning electron microscopy (SEM) on CO(2) clathrates covering a much broader p-T field, stretching from 200 to 270 K and pressures between the hydrate stability limit and 0.6 kPa (6 mbar), a pressure far outside stability. The self-preservation regime above 240 K is confirmed over a broad pressure range and appears to be caused by the annealing of an ice cover formed in the initial hydrate decomposition. Another, previously unknown regime of the self-preservation exists below this temperature, extending however only over a rather narrow pressure range. In this case, the initial ice microstructure is dominated by a fast two-dimensional growth covering rapidly the clathrate surface. All observations lend strong support to the idea that the phenomenon of self-preservation is linked to the permeability of the ice cover governed by (1) the initial microstructure of ice and/or (2) the subsequent annealing of this ice coating. The interplay of the microstructure of newly formed ice and its annealing with the ongoing decomposition reaction leads to various decomposition paths and under certain conditions to a very pronounced preservation anomaly.

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

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

Effects of Heat Treatment on the Microstructure and Mechanical Properties of Low-Carbon Steel with Magnesium-Based Inclusions

NASA Astrophysics Data System (ADS)

Zhang, Jian; Feng, Pei-Hsien; Pan, Yan-Chi; Hwang, Weng-Sing; Su, Yen-Hao; Lu, Muh-Jung

2016-10-01

The effects of heat treatment on the microstructure and mechanical properties of Mg-containing (7 ppm), low-carbon commercial steel (SS400) were investigated. Twenty different heat treatment paths were performed using a Gleeble 1500 thermomechanical simulator. It was observed by using an optical microscope that as the cooling rate increased and holding temperature decreased, the volume fractions of pearlite, Widmanstätten ferrite, and grain boundary allotriomorphs ferrite fell, whereas that of acicular ferrite (AF) increased. Quantifying the fractions of AF and other phases by using electron backscatter diffraction shows that the heat treatment path with a cooling rate of 20 K/s and holding temperature of 723 K (450 °C) induced the highest volume fraction (44 pct) of AF. As such, the toughness of the sample was increased 12.4 times compared with that observed in the sample containing 4 pct AF. Typical inclusions were analyzed using scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy. The results showed that the magnesium-based complex inclusions could act as nucleation sites of AF. Inclusions with a size of about 5 μm can serve as heterogeneous nucleation sites for AF. Mg-containing SS400 steel also has excellent hot-ductility in the temperature range of 973 K to 1273 K (700 °C to 1000 °C), and the minimum percentage reduction in area (R.A pct) value of around 63 pct at 1073 K (800 °C).

Advanced CerMet ceramic composites for medical applications.

PubMed

Dittmer, Robert; Schaefer, Christian M; Fischer, Jean-Francois; Hausch, Ulrich; Troetzschel, Jens; Specht, Heiko

2017-11-01

Implantable active devices such as pacemakers are facing rigorous requirements. Because they reside within the body for years, materials applied in this surrounding must exhibit biocompatibility and extraordinary reliability. They also have to provide a number of functional properties. In this work we present a method that enables the realization of a highly complex profile of properties by means of a dual composite approach. Using multilayer technology, an electrical conductor is embedded into a ceramic matrix, thus, creating conductive paths that are insulated from each other. In addition to this macroscopically hybrid architecture, this approach features a second composite aspect: the conductor is not composed of a single metallic phase, but is a ceramic-metal mixture. Owing to its interpenetrating microstructure, this CerMet allows for a strong and hermetic integration of the conductor into the ceramic matrix otherwise impossible due to mismatch in thermal expansion. In fact, the CerMet ceramic composite exhibits a higher strength than the pure ceramic as revealed by a three-point bending test study. At the same time, the CerMet offers high and virtually metal-like conductor properties, enabling a down-scaling of the conductive paths to 150µm diameter and smaller. Furthermore, the described composite is biocompatible, non-magnetic, and chemically inert, which is vital for the application in active, implantable, medical devices. Beside the general fabrication route, we present the microstructural, functional, and mechanical properties of this newly developed class of dual composites. Copyright © 2017 Elsevier Ltd. All rights reserved.

Deconvoluting the Friction Stir Weld Process for Optimizing Welds

NASA Technical Reports Server (NTRS)

Schneider, Judy; Nunes, Arthur C.

2008-01-01

In the friction stir welding process, the rotating surfaces of the pin and shoulder contact the weld metal and force a rotational flow within the weld metal. Heat, generated by the metal deformation as well as frictional slippage with the contact surface, softens the metal and makes it easier to deform. As in any thermo-mechanical processing of metal, the flow conditions are critical to the quality of the weld. For example, extrusion of metal from under the shoulder of an excessively hot weld may relax local pressure and result in wormhole defects. The trace of the weld joint in the wake of the weld may vary geometrically depending upon the flow streamlines around the tool with some geometry more vulnerable to loss of strength from joint contamination than others. The material flow path around the tool cannot be seen in real time during the weld. By using analytical "tools" based upon the principles of mathematics and physics, a weld model can be created to compute features that can be observed. By comparing the computed observations with actual data, the weld model can be validated or adjusted to get better agreement. Inputs to the model to predict weld structures and properties include: hot working properties ofthe metal, pin tool geometry, travel rate, rotation and plunge force. Since metals record their prior hot working history, the hot working conditions imparted during FSW can be quantified by interpreting the final microstructure. Variations in texture and grain size result from variations in the strain accommodated at a given strain rate and temperature. Microstructural data from a variety of FSWs has been correlated with prior marker studies to contribute to our understanding of the FSW process. Once this stage is reached, the weld modeling process can save significant development costs by reducing costly trial-and-error approaches to obtaining quality welds.

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.

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

3D study of intermetallics and their effect on the corrosion morphology of rheocast aluminium alloy

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

Mingo, B.; Arrabal, R., E-mail: rarrabal@ucm.es; Pardo, A.

In the present study, the effect of heat treatment T6.1 on the microstructure and corrosion behaviour of rheocast aluminium alloy A356 is investigated on the basis of 2D/3D characterization techniques and electrochemical and SKPFM measurements. Heat treatment strengthens the α-Al matrix, modifies the intermetallic particles and spheroidizes eutectic Si. These changes do not modify significantly the corrosion behaviour of the alloy. 3D SEM-Tomography clearly shows that the corrosion advances in the shape of narrow paths between closely spaced intermetallics without a major influence of eutectic Si. - Highlights: • T6.1 spheroidizes Si, strengthens the matrix and modifies the intermetallics. •more » Electrochemical behaviour of untreated and heat-treated alloys is similar. • 3D SEM-Tomography provides additional information on the corrosion morphology. • Corrosion advances as paths between intermetallics with little influence of Si.« less

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

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}^{*}

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.

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.

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.

Grain boundary engineering: fatigue fracture

NASA Astrophysics Data System (ADS)

Das, Arpan

2017-04-01

Grain boundary engineering has revealed significant enhancement of material properties by modifying the populations and connectivity of different types of grain boundaries within the polycrystals. The character and connectivity of grain boundaries in polycrystalline microstructures control the corrosion and mechanical behaviour of materials. A comprehensive review of the previous researches has been carried out to understand this philosophy. Present research thoroughly explores the effect of total strain amplitude on phase transformation, fatigue fracture features, grain size, annealing twinning, different grain connectivity and grain boundary network after strain controlled low cycle fatigue deformation of austenitic stainless steel under ambient temperature. Electron backscatter diffraction technique has been used extensively to investigate the grain boundary characteristics and morphologies. The nominal variation of strain amplitude through cyclic plastic deformation is quantitatively demonstrated completely in connection with the grain boundary microstructure and fractographic features to reveal the mechanism of fatigue fracture of polycrystalline austenite. The extent of boundary modifications has been found to be a function of the number of applied loading cycles and strain amplitudes. It is also investigated that cyclic plasticity induced martensitic transformation strongly influences grain boundary characteristics and modifications of the material's microstructure/microtexture as a function of strain amplitudes. The experimental results presented here suggest a path to grain boundary engineering during fatigue fracture of austenite polycrystals.

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.

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.

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

The influence of deformation-induced residual stresses on the post-forming tensile stress/strain behavior of dual-phase steels

NASA Astrophysics Data System (ADS)

Hance, Brandon Michael

It was hypothesized that, in dual-phase (DP) steels, strain partitioning between ferrite (alpha) and martensite (alpha') during deformation results in a distribution of post-deformation residual stresses that, in turn, affects the subsequent strength, work hardening behavior and formability when the strain path is changed. The post-forming deformation-induced residual stress state was expected to depend upon the microstructure, the amount of strain and the prestrain path. The primary objective of this research program was to understand the influence of deformation-induced residual stresses on the post-forming tensile stress/strain behavior of DP steels. Three commercially produced sheet steels were considered in this analysis: (1) a DP steel with approximately 15 vol. % martensite, (2) a conventional high-strength, low-alloy (HSLA) steel, and (3) a conventional, ultra-low-carbon interstitial-free (IF) steel. Samples of each steel were subjected to various prestrain levels in various plane-stress forming modes, including uniaxial tension, plane strain and balanced biaxial stretching. Neutron diffraction experiments confirmed the presence of large post-forming deformation-induced residual stresses in the ferrite phase of the DP steel. The deformation-alphainduced residual stress state varied systematically with the prestrain mode, where the principal residual stress components are proportional to the principal strain components of the prestrain mode, but opposite in sign. For the first time, and by direct experimental correlation, it was shown that deformation-induced residual stresses greatly affect the post-forming tensile stress/strain behavior of DP steels. As previously reported in the literature, the formability (residual tensile ductility) of the IF steel and the HSLA steel was adversely affected by strain path changes. The DP steel presents a formability advantage over the conventional IF and HSLA steels, and is expected to be particularly well suited for complex forming operations that involve abrupt strain path changes. Deformation-induced residual stresses were measured in the IF steel and the HSLA steel; however, the magnitudes of which are such that post-forming tensile stress/strain behavior was not significantly affected. Considering the vast differences in mechanical properties, microstructure, and composition, the IF steel and the HSLA steel showed remarkably similar post-forming tensile stress/strain behavior for all prestrain modes considered.

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

PubMed

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

2015-11-01

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

Extended charge banking model of dual path shocks for implantable cardioverter defibrillators

PubMed Central

Dosdall, Derek J; Sweeney, James D

2008-01-01

Background Single path defibrillation shock methods have been improved through the use of the Charge Banking Model of defibrillation, which predicts the response of the heart to shocks as a simple resistor-capacitor (RC) circuit. While dual path defibrillation configurations have significantly reduced defibrillation thresholds, improvements to dual path defibrillation techniques have been limited to experimental observations without a practical model to aid in improving dual path defibrillation techniques. Methods The Charge Banking Model has been extended into a new Extended Charge Banking Model of defibrillation that represents small sections of the heart as separate RC circuits, uses a weighting factor based on published defibrillation shock field gradient measures, and implements a critical mass criteria to predict the relative efficacy of single and dual path defibrillation shocks. Results The new model reproduced the results from several published experimental protocols that demonstrated the relative efficacy of dual path defibrillation shocks. The model predicts that time between phases or pulses of dual path defibrillation shock configurations should be minimized to maximize shock efficacy. Discussion Through this approach the Extended Charge Banking Model predictions may be used to improve dual path and multi-pulse defibrillation techniques, which have been shown experimentally to lower defibrillation thresholds substantially. The new model may be a useful tool to help in further improving dual path and multiple pulse defibrillation techniques by predicting optimal pulse durations and shock timing parameters. PMID:18673561

Topographic Enhancement of Vertical Mixing in the Southern Ocean

NASA Astrophysics Data System (ADS)

Mashayek, A.; Ferrari, R. M.; Merrifield, S.; St Laurent, L.

2016-02-01

Diapycnal turbulent mixing in the Southern Ocean is believed to play a role in setting the rate of the ocean Meridional Overturning Circulation (MOC), an important element of the global climate system. Whether this role is important, however, depends on the strength of this mixing, which remains poorly qualified on global scale. To address this question, a passive tracer was released upstream of the Drake Passage in 2009 as a part of the Diapycnal and Isopycnal Mixing Experiment in the Southern Ocean (DIMES). The mixing was then inferred from the vertical/diapycnal spreading of the tracer. The mixing was also calculated from microstructure measurements of shear and stratification. The diapycnal turbulent mixing inferred from the tracer was found to be an order of magnitude larger than that estimated with the microstructure probes at various locations along the path of the tracer. While the values inferred from tracer imply a key role played by mixing in setting the MOC, those based on localized measurements suggest otherwise. In this work we use a high resolution numerical ocean model of the Drake Passage region sampled in the DIMES experiment to explain that the difference between the two estimates arise from the large values of mixing encountered by the tracer, when it flows close to the bottom topography. We conclude that the large mixing close to the ocean bottom topography is sufficiently strong to play an important role in setting the Southern Ocean branch of the MOC below 2 km.

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.

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.

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.

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.

Nonlinear ionic transport through microstructured solid electrolytes: homogenization estimates

NASA Astrophysics Data System (ADS)

Curto Sillamoni, Ignacio J.; Idiart, Martín I.

2016-10-01

We consider the transport of multiple ionic species by diffusion and migration through microstructured solid electrolytes in the presence of strong electric fields. The assumed constitutive relations for the constituent phases follow from convex energy and dissipation potentials which guarantee thermodynamic consistency. The effective response is heuristically deduced from a multi-scale convergence analysis of the relevant field equations. The resulting homogenized response involves an effective dissipation potential per species. Each potential is mathematically akin to that of a standard nonlinear heterogeneous conductor. A ‘linear-comparison’ homogenization technique is then used to generate estimates for these nonlinear potentials in terms of available estimates for corresponding linear conductors. By way of example, use is made of the Maxwell-Garnett and effective-medium linear approximations to generate estimates for two-phase systems with power-law dissipation. Explicit formulas are given for some limiting cases. In the case of threshold-type behavior, the estimates exhibit non-analytical dilute limits and seem to be consistent with fields localized in low energy paths.

Microstructure actuation and gas sensing by the Knudsen thermal force

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

Strongrich, Andrew; Alexeenko, Alina, E-mail: alexeenk@purdue.edu

2015-11-09

The generation of forces and moments on structures immersed in rarefied non-isothermal gas flows has received limited practical implementation since first being discovered over a century ago. The formation of significant thermal stresses requires both large thermal gradients and characteristic dimensions which are comparable to the gas molecular mean free path. For macroscopic geometries, this necessitates impractically high temperatures and very low pressures. At the microscale, however, these conditions are easily achieved, allowing the effects to be exploited, namely, for gas-property sensing and microstructure actuation. In this letter, we introduce and experimentally evaluate performance of a microelectromechanical in-plane Knudsen radiometricmore » actuator, a self-contained device having Knudsen thermal force generation, sensing, and tuning mechanisms integrated onto the same platform. Sensitivity to ambient pressure, temperature gradient, as well as gas composition is demonstrated. Results are presented in terms of a non-dimensional force coefficient, allowing measurements to be directly compared to the previous experimental and computational data on out-of-plane cantilevered configurations.« less

Effect of microstructure on the impact toughness and temper embrittlement of SA508Gr.4N steel for advanced pressure vessel materials.

PubMed

Yang, Zhiqiang; Liu, Zhengdong; He, Xikou; Qiao, Shibin; Xie, Changsheng

2018-01-09

The effect of microstructure on the impact toughness and the temper embrittlement of a SA508Gr.4N steel was investigated. Martensitic and bainitic structures formed in this material were examined via scanning electron microscopy, electron backscatter diffraction, transmission electron microscopy, and Auger electron spectroscopy (AES) analysis. The martensitic structure had a positive effect on both the strength and toughness. Compared with the bainitic structure, this structure consisted of smaller blocks and more high-angle grain boundaries (HAGBs). Changes in the ultimate tensile strength and toughness of the martensitic structure were attributed to an increase in the crack propagation path. This increase resulted from an increased number of HAGBs and refinement of the sub-structure (block). The AES results revealed that sulfur segregation is higher in the martensitic structure than in the bainitic structure. Therefore, the martensitic structure is more susceptible to temper embrittlement than the bainitic structure.

Failure mechanisms of single-crystal silicon electrodes in lithium-ion batteries

PubMed Central

Shi, Feifei; Song, Zhichao; Ross, Philip N.; Somorjai, Gabor A.; Ritchie, Robert O.; Komvopoulos, Kyriakos

2016-01-01

Long-term durability is a major obstacle limiting the widespread use of lithium-ion batteries in heavy-duty applications and others demanding extended lifetime. As one of the root causes of the degradation of battery performance, the electrode failure mechanisms are still unknown. In this paper, we reveal the fundamental fracture mechanisms of single-crystal silicon electrodes over extended lithiation/delithiation cycles, using electrochemical testing, microstructure characterization, fracture mechanics and finite element analysis. Anisotropic lithium invasion causes crack initiation perpendicular to the electrode surface, followed by growth through the electrode thickness. The low fracture energy of the lithiated/unlithiated silicon interface provides a weak microstructural path for crack deflection, accounting for the crack patterns and delamination observed after repeated cycling. On the basis of this physical understanding, we demonstrate how electrolyte additives can heal electrode cracks and provide strategies to enhance the fracture resistance in future lithium-ion batteries from surface chemical, electrochemical and material science perspectives. PMID:27297565

Chemical vapor deposition of Mo tubes for fuel cladding applications

DOE PAGES

Beaux, Miles F.; Vodnik, Douglas R.; Peterson, Reuben J.; ...

2018-01-31

In this study, chemical vapor deposition (CVD) techniques have been evaluated for fabrication of free-standing 0.25 mm thick molybdenum tubes with the end goal of nuclear fuel cladding applications. In order to produce tubes with the wall thickness and microstructures desirable for this application, long deposition durations on the order of 50 h with slow deposition rates were employed. A standard CVD method, involving molybdenum pentachloride reduction by hydrogen, as well as a fluidized-bed CVD (FBCVD) method was applied towards these objectives. Characterization of the tubes produced in this manner revealed regions of material with fine grain microstructure and wallmore » thickness suitable for fuel cladding applications, but lacking necessary uniformity across the length of the tubes. Finally, a path forward for the production of freestanding molybdenum tubes that possess the desired properties across their entire length has been identified and can be accomplished by future optimization of the deposition system.« less

Chemical vapor deposition of Mo tubes for fuel cladding applications

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

Beaux, Miles F.; Vodnik, Douglas R.; Peterson, Reuben J.

In this study, chemical vapor deposition (CVD) techniques have been evaluated for fabrication of free-standing 0.25 mm thick molybdenum tubes with the end goal of nuclear fuel cladding applications. In order to produce tubes with the wall thickness and microstructures desirable for this application, long deposition durations on the order of 50 h with slow deposition rates were employed. A standard CVD method, involving molybdenum pentachloride reduction by hydrogen, as well as a fluidized-bed CVD (FBCVD) method was applied towards these objectives. Characterization of the tubes produced in this manner revealed regions of material with fine grain microstructure and wallmore » thickness suitable for fuel cladding applications, but lacking necessary uniformity across the length of the tubes. Finally, a path forward for the production of freestanding molybdenum tubes that possess the desired properties across their entire length has been identified and can be accomplished by future optimization of the deposition system.« less

TauFactor: An open-source application for calculating tortuosity factors from tomographic data

NASA Astrophysics Data System (ADS)

Cooper, S. J.; Bertei, A.; Shearing, P. R.; Kilner, J. A.; Brandon, N. P.

TauFactor is a MatLab application for efficiently calculating the tortuosity factor, as well as volume fractions, surface areas and triple phase boundary densities, from image based microstructural data. The tortuosity factor quantifies the apparent decrease in diffusive transport resulting from convolutions of the flow paths through porous media. TauFactor was originally developed to improve the understanding of electrode microstructures for batteries and fuel cells; however, the tortuosity factor has been of interest to a wide range of disciplines for over a century, including geoscience, biology and optics. It is still common practice to use correlations, such as that developed by Bruggeman, to approximate the tortuosity factor, but in recent years the increasing availability of 3D imaging techniques has spurred interest in calculating this quantity more directly. This tool provides a fast and accurate computational platform applicable to the big datasets (>108 voxels) typical of modern tomography, without requiring high computational power.

Failure mechanisms of single-crystal silicon electrodes in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Shi, Feifei; Song, Zhichao; Ross, Philip N.; Somorjai, Gabor A.; Ritchie, Robert O.; Komvopoulos, Kyriakos

2016-06-01

Long-term durability is a major obstacle limiting the widespread use of lithium-ion batteries in heavy-duty applications and others demanding extended lifetime. As one of the root causes of the degradation of battery performance, the electrode failure mechanisms are still unknown. In this paper, we reveal the fundamental fracture mechanisms of single-crystal silicon electrodes over extended lithiation/delithiation cycles, using electrochemical testing, microstructure characterization, fracture mechanics and finite element analysis. Anisotropic lithium invasion causes crack initiation perpendicular to the electrode surface, followed by growth through the electrode thickness. The low fracture energy of the lithiated/unlithiated silicon interface provides a weak microstructural path for crack deflection, accounting for the crack patterns and delamination observed after repeated cycling. On the basis of this physical understanding, we demonstrate how electrolyte additives can heal electrode cracks and provide strategies to enhance the fracture resistance in future lithium-ion batteries from surface chemical, electrochemical and material science perspectives.

Scintillating Quantum Dots for Imaging X-Rays (SQDIX) for Aircraft Inspection

NASA Technical Reports Server (NTRS)

Burke, E. R.; DeHaven, S. L.; Williams, P. A.

2015-01-01

Scintillation is the process currently employed by conventional X-ray detectors to create X-ray images. Scintillating quantum dots (StQDs) or nano-crystals are novel, nanometer-scale materials that upon excitation by X-rays, re-emit the absorbed energy as visible light. StQDs theoretically have higher output efficiency than conventional scintillating materials and are more environmentally friendly. This paper will present the characterization of several critical elements in the use of StQDs that have been performed along a path to the use of this technology in wide spread X-ray imaging. Initial work on the scintillating quantum dots for imaging X-rays (SQDIX) system has shown great promise to create state-of-the-art sensors using StQDs as a sensor material. In addition, this work also demonstrates a high degree of promise using StQDs in microstructured fiber optics. Using the microstructured fiber as a light guide could greatly increase the capture efficiency of a StQDs based imaging sensor.

Scintillating Quantum Dots for Imaging X-rays (SQDIX) for Aircraft Inspection

NASA Technical Reports Server (NTRS)

Burke, Eric (Principal Investigator); Williams, Phillip (Principal Investigator); Dehaven, Stan

2015-01-01

Scintillation is the process currently employed by conventional x-ray detectors to create x-ray images. Scintillating quantum dots or nano-crystals (StQDs) are a novel, nanometer-scale material that upon excitation by x-rays, re-emit the absorbed energy as visible light. StQDs theoretically have higher output efficiency than conventional scintillating materials and are more environmental friendly. This paper will present the characterization of several critical elements in the use of StQDs that have been performed along a path to the use of this technology in wide spread x-ray imaging. Initial work on the SQDIX system has shown great promise to create state-of-the-art sensors using StQDs as a sensor material. In addition, this work also demonstrates a high degree of promise using StQDs in microstructured fiber optics. Using the microstructured fiber as a light guide could greatly increase the capture efficiency a StQDs based imaging sensor.

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

MapMaker and PathTracer for tracking carbon in genome-scale metabolic models

PubMed Central

Tervo, Christopher J.; Reed, Jennifer L.

2016-01-01

Constraint-based reconstruction and analysis (COBRA) modeling results can be difficult to interpret given the large numbers of reactions in genome-scale models. While paths in metabolic networks can be found, existing methods are not easily combined with constraint-based approaches. To address this limitation, two tools (MapMaker and PathTracer) were developed to find paths (including cycles) between metabolites, where each step transfers carbon from reactant to product. MapMaker predicts carbon transfer maps (CTMs) between metabolites using only information on molecular formulae and reaction stoichiometry, effectively determining which reactants and products share carbon atoms. MapMaker correctly assigned CTMs for over 97% of the 2,251 reactions in an Escherichia coli metabolic model (iJO1366). Using CTMs as inputs, PathTracer finds paths between two metabolites. PathTracer was applied to iJO1366 to investigate the importance of using CTMs and COBRA constraints when enumerating paths, to find active and high flux paths in flux balance analysis (FBA) solutions, to identify paths for putrescine utilization, and to elucidate a potential CO2 fixation pathway in E. coli. These results illustrate how MapMaker and PathTracer can be used in combination with constraint-based models to identify feasible, active, and high flux paths between metabolites. PMID:26771089

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

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.

Impact of aerosol intrusions on sea-ice melting rates and the structure Arctic boundary layer clouds

NASA Astrophysics Data System (ADS)

Cotton, W.; Carrio, G.; Jiang, H.

2003-04-01

The Los Alamos National Laboratory sea-ice model (LANL CICE) was implemented into the real-time and research versions of the Colorado State University-Regional Atmospheric Modeling System (RAMS@CSU). The original version of CICE was modified in its structure to allow module communication in an interactive multigrid framework. In addition, some improvements have been made in the routines involved in the coupling, among them, the inclusion of iterative methods that consider variable roughness lengths for snow-covered ice thickness categories. This version of the model also includes more complex microphysics that considers the nucleation of cloud droplets, allowing the prediction of mixing ratios and number concentrations for all condensed water species. The real-time version of RAMS@CSU automatically processes the NASA Team SSMI F13 25km sea-ice coverage data; the data are objectively analyzed and mapped to the model grid configuration. We performed two types of cloud resolving simulations to assess the impact of the entrainment of aerosols from above the inversion on Arctic boundary layer clouds. The first series of numerical experiments corresponds to a case observed on May 4 1998 during the FIRE-ACE/SHEBA field experiment. Results indicate a significant impact on the microstructure of the simulated clouds. When assuming polluted initial profiles above the inversion, the liquid water fraction of the cloud monotonically decreases, the total condensate paths increases and downward IR tends to increase due to a significant increase in the ice water path. The second set of cloud resolving simulations focused on the evaluation of the potential effect of aerosol concentration above the inversion on melting rates during spring-summer period. For these multi-month simulations, the IFN and CCN profiles were also initialized assuming the 4 May profiles as benchmarks. Results suggest that increasing the aerosol concentrations above the boundary layer increases sea-ice melting rates when mixed phase clouds are present.

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.

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

Some TEM observations of Al2O3 scales formed on NiCrAl alloys

NASA Technical Reports Server (NTRS)

Smialek, J.; Gibala, R.

1979-01-01

The microstructural development of Al2O3 scales on NiCrAl alloys has been examined by transmission electron microscopy. Voids were observed within grains in scales formed on a pure NiCrAl alloy. Both voids and oxide grains grew measurably with oxidation time at 1100 C. The size and amount of porosity decreased towards the oxide-metal growth interface. The voids resulted from an excess number of oxygen vacancies near the oxidemetal interface. Short-circuit diffusion paths were discussed in reference to current growth stress models for oxide scales. Transient oxidation of pure, Y-doped, and Zr-doped NiCrAl was also examined. Oriented alpha-(Al, Cr)2O3 and Ni(Al, Cr)2O4 scales often coexisted in layered structures on all three alloys. Close-packed oxygen planes and directions in the corundum and spinel layers were parallel. The close relationship between oxide layers provided a gradual transition from initial transient scales to steady state Al2O3 growth.

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.

Neck Muscle Moment Arms Obtained In-Vivo from MRI: Effect of Curved and Straight Modeled Paths.

PubMed

Suderman, Bethany L; Vasavada, Anita N

2017-08-01

Musculoskeletal models of the cervical spine commonly represent neck muscles with straight paths. However, straight lines do not best represent the natural curvature of muscle paths in the neck, because the paths are constrained by bone and soft tissue. The purpose of this study was to estimate moment arms of curved and straight neck muscle paths using different moment arm calculation methods: tendon excursion, geometric, and effective torque. Curved and straight muscle paths were defined for two subject-specific cervical spine models derived from in vivo magnetic resonance images (MRI). Modeling neck muscle paths with curvature provides significantly different moment arm estimates than straight paths for 10 of 15 neck muscles (p < 0.05, repeated measures two-way ANOVA). Moment arm estimates were also found to be significantly different among moment arm calculation methods for 11 of 15 neck muscles (p < 0.05, repeated measures two-way ANOVA). In particular, using straight lines to model muscle paths can lead to overestimating neck extension moment. However, moment arm methods for curved paths should be investigated further, as different methods of calculating moment arm can provide different estimates.

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.

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.

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.

ELASTIC NET FOR COX'S PROPORTIONAL HAZARDS MODEL WITH A SOLUTION PATH ALGORITHM.

PubMed

Wu, Yichao

2012-01-01

For least squares regression, Efron et al. (2004) proposed an efficient solution path algorithm, the least angle regression (LAR). They showed that a slight modification of the LAR leads to the whole LASSO solution path. Both the LAR and LASSO solution paths are piecewise linear. Recently Wu (2011) extended the LAR to generalized linear models and the quasi-likelihood method. In this work we extend the LAR further to handle Cox's proportional hazards model. The goal is to develop a solution path algorithm for the elastic net penalty (Zou and Hastie (2005)) in Cox's proportional hazards model. This goal is achieved in two steps. First we extend the LAR to optimizing the log partial likelihood plus a fixed small ridge term. Then we define a path modification, which leads to the solution path of the elastic net regularized log partial likelihood. Our solution path is exact and piecewise determined by ordinary differential equation systems.

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.

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.

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.

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

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.

Path integration of head direction: updating a packet of neural activity at the correct speed using axonal conduction delays.

PubMed

Walters, Daniel; Stringer, Simon; Rolls, Edmund

2013-01-01

The head direction cell system is capable of accurately updating its current representation of head direction in the absence of visual input. This is known as the path integration of head direction. An important question is how the head direction cell system learns to perform accurate path integration of head direction. In this paper we propose a model of velocity path integration of head direction in which the natural time delay of axonal transmission between a linked continuous attractor network and competitive network acts as a timing mechanism to facilitate the correct speed of path integration. The model effectively learns a "look-up" table for the correct speed of path integration. In simulation, we show that the model is able to successfully learn two different speeds of path integration across two different axonal conduction delays, and without the need to alter any other model parameters. An implication of this model is that, by learning look-up tables for each speed of path integration, the model should exhibit a degree of robustness to damage. In simulations, we show that the speed of path integration is not significantly affected by degrading the network through removing a proportion of the cells that signal rotational velocity.

Path Integration of Head Direction: Updating a Packet of Neural Activity at the Correct Speed Using Axonal Conduction Delays

PubMed Central

Walters, Daniel; Stringer, Simon; Rolls, Edmund

2013-01-01

The head direction cell system is capable of accurately updating its current representation of head direction in the absence of visual input. This is known as the path integration of head direction. An important question is how the head direction cell system learns to perform accurate path integration of head direction. In this paper we propose a model of velocity path integration of head direction in which the natural time delay of axonal transmission between a linked continuous attractor network and competitive network acts as a timing mechanism to facilitate the correct speed of path integration. The model effectively learns a “look-up” table for the correct speed of path integration. In simulation, we show that the model is able to successfully learn two different speeds of path integration across two different axonal conduction delays, and without the need to alter any other model parameters. An implication of this model is that, by learning look-up tables for each speed of path integration, the model should exhibit a degree of robustness to damage. In simulations, we show that the speed of path integration is not significantly affected by degrading the network through removing a proportion of the cells that signal rotational velocity. PMID:23526976

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.

Coordinate metrology using scanning probe microscopes

NASA Astrophysics Data System (ADS)

Marinello, F.; Savio, E.; Bariani, P.; Carmignato, S.

2009-08-01

New positioning, probing and measuring strategies in coordinate metrology are needed for the accomplishment of true three-dimensional characterization of microstructures, with uncertainties in the nanometre range. In the present work, the implementation of scanning probe microscopes (SPMs) as systems for coordinate metrology is discussed. A new non-raster measurement approach is proposed, where the probe is moved to sense points along free paths on the sample surface, with no loss of accuracy with respect to traditional raster scanning and scan time reduction. Furthermore, new probes featuring long tips with innovative geometries suitable for coordinate metrology through SPMs are examined and reported.

Constant amplitude and post-overload fatigue crack growth behavior in PM aluminum alloy AA 8009

NASA Technical Reports Server (NTRS)

Reynolds, A. P.

1992-01-01

A recently developed, rapidly solidified, powder metallurgy, dispersion strengthened aluminum alloy, AA 8009, was fatigue tested at room temperature in lab air. Constant amplitude/constant delta kappa and single spike overload conditions were examined. High fatigue crack growth rates and low crack closure levels compared to typical ingot metallurgy aluminum alloys were observed. It was proposed that minimal crack roughness, crack path delection, and limited slip reversibility, resulting from ultra-fine microstructure, were responsible for the relatively poor da/dN-delta kappa performance of AA 8009 as compared to that of typical IM aluminum alloys.

Recovery of strain-hardening rate in Ni-Si alloys.

PubMed

Yang, C L; Zhang, Z J; Cai, T; Zhang, P; Zhang, Z F

2015-10-21

In this study, the recovery of strain-hardening rate (RSHR) was discovered for the first time in polycrystalline materials (Ni-Si alloys) that have only dislocation activities during tensile test. Detailed microstructure characterizations show that the activation of dislocations in the secondary slip systems during tensile deformation is the major reason for this RSHR. By taking into account other metals that also exhibit RSHR during tension, a more general mechanism for the RSHR was proposed, i.e. the occurrence of a sharp decrease of dislocation mean free path (Λ) during plastic deformation, caused by either planar defects or linear defects.

Recovery of strain-hardening rate in Ni-Si alloys

PubMed Central

Yang, C. L.; Zhang, Z. J.; Cai, T.; Zhang, P.; Zhang, Z. F.

2015-01-01

In this study, the recovery of strain-hardening rate (RSHR) was discovered for the first time in polycrystalline materials (Ni-Si alloys) that have only dislocation activities during tensile test. Detailed microstructure characterizations show that the activation of dislocations in the secondary slip systems during tensile deformation is the major reason for this RSHR. By taking into account other metals that also exhibit RSHR during tension, a more general mechanism for the RSHR was proposed, i.e. the occurrence of a sharp decrease of dislocation mean free path (Λ) during plastic deformation, caused by either planar defects or linear defects. PMID:26487419

Recovery of strain-hardening rate in Ni-Si alloys

NASA Astrophysics Data System (ADS)

Yang, C. L.; Zhang, Z. J.; Cai, T.; Zhang, P.; Zhang, Z. F.

2015-10-01

In this study, the recovery of strain-hardening rate (RSHR) was discovered for the first time in polycrystalline materials (Ni-Si alloys) that have only dislocation activities during tensile test. Detailed microstructure characterizations show that the activation of dislocations in the secondary slip systems during tensile deformation is the major reason for this RSHR. By taking into account other metals that also exhibit RSHR during tension, a more general mechanism for the RSHR was proposed, i.e. the occurrence of a sharp decrease of dislocation mean free path (Λ) during plastic deformation, caused by either planar defects or linear defects.

Constant amplitude and post-overload fatigue crack growth behavior in PM aluminum alloy AA 8009

NASA Technical Reports Server (NTRS)

Reynolds, A. P.

1991-01-01

A recently developed, rapidly solidified, powder metallurgy, dispersion strengthened aluminum alloy, AA 8009, was fatigue tested at room temperature in lab air. Constant amplitude/constant delta kappa and single spike overload conditions were examined. High fatigue crack growth rates and low crack closure levels compared to typical ingot metallurgy aluminum alloys were observed. It was proposed that minimal crack roughness, crack path deflection, and limited slip reversibility, resulting from ultra-fine microstructure, were responsible for the relatively poor da/dN-delta kappa performance of AA 8009 as compared to that of typical IM aluminum alloys.

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.

Effect of starting microstructure on helium plasma-materials interaction in tungsten

DOE PAGES

Wang, Kun; Bannister, Mark E.; Meyer, Fred W.; ...

2016-11-24

Here, in a magnetic fusion energy (MFE) device, the plasma-facing materials (PFMs) will be subjected to tremendous fluxes of ions, heat, and neutrons. The response of PFMs to the fusion environment is still not well defined. Tungsten metal is the present candidate of choice for PFM applications such as the divertor in ITER. However, tungsten's microstructure will evolve in service, possibly to include recrystallization. How tungsten's response to plasma exposure evolves with changes in microstructure is presently unknown. In this work, we have exposed hot-worked and recrystallized tungsten to an 80 eV helium ion beam at a temperature of 900more » °C to fluences of 2 × 10 23 or 20 × 10 23 He/m 2. This resulted in a faceted surface structure at the lower fluence or short but well-developed nanofuzz structure at the higher fluence. There was little difference in the hot-rolled or recrystallized material's near-surface (≤50 nm) bubbles at either fluence. At higher fluence and deeper depth, the bubble populations of the hot-rolled and recrystallized were different, the recrystallized being larger and deeper. This may explain previous high-fluence results showing pronounced differences in recrystallized material. The deeper penetration in recrystallized material also implies that grain boundaries are traps, rather than high-diffusivity paths.« less

Hybrid Laser-Arc Welding of 10-mm-Thick Cast Martensitic Stainless Steel CA6NM: As-Welded Microstructure and Mechanical Properties

NASA Astrophysics Data System (ADS)

Mirakhorli, Fatemeh; Cao, Xinjin; Pham, Xuan-Tan; Wanjara, Priti; Fihey, Jean-Luc

2016-07-01

Cast CA6NM martensitic stainless steel plates, 10 mm in thickness, were welded using hybrid laser-arc welding. The effect of different welding speeds on the as-welded joint integrity was characterized in terms of the weld bead geometry, defects, microstructure, hardness, ultimate tensile strength, and impact energy. Significant defects such as porosity, root humping, underfill, and excessive penetration were observed at a low welding speed (0.5 m/min). However, the underfill depth and excessive penetration in the joints manufactured at welding speeds above 0.75 m/min met the specifications of ISO 12932. Characterization of the as-welded microstructure revealed untempered martensite and residual delta ferrite dispersed at prior-austenite grain boundaries in the fusion zone. In addition, four different heat-affected zones in the weldments were differentiated through hardness mapping and inference from the Fe-Cr-Ni ternary phase diagram. The tensile fracture occurred in the base metal for all the samples and fractographic analysis showed that the crack path is within the martensite matrix, along primary delta ferrite-martensite interfaces and within the primary delta ferrite. Additionally, Charpy impact testing demonstrated slightly higher fracture energy values and deeper dimples on the fracture surface of the welds manufactured at higher welding speeds due to grain refinement and/or lower porosity.

Packing of nonoverlapping cubic particles: Computational algorithms and microstructural characteristics

NASA Astrophysics Data System (ADS)

Malmir, Hessam; Sahimi, Muhammad; Tabar, M. Reza Rahimi

2016-12-01

Packing of cubic particles arises in a variety of problems, ranging from biological materials to colloids and the fabrication of new types of porous materials with controlled morphology. The properties of such packings may also be relevant to problems involving suspensions of cubic zeolites, precipitation of salt crystals during CO2 sequestration in rock, and intrusion of fresh water in aquifers by saline water. Not much is known, however, about the structure and statistical descriptors of such packings. We present a detailed simulation and microstructural characterization of packings of nonoverlapping monodisperse cubic particles, following up on our preliminary results [H. Malmir et al., Sci. Rep. 6, 35024 (2016), 10.1038/srep35024]. A modification of the random sequential addition (RSA) algorithm has been developed to generate such packings, and a variety of microstructural descriptors, including the radial distribution function, the face-normal correlation function, two-point probability and cluster functions, the lineal-path function, the pore-size distribution function, and surface-surface and surface-void correlation functions, have been computed, along with the specific surface and mean chord length of the packings. The results indicate the existence of both spatial and orientational long-range order as the the packing density increases. The maximum packing fraction achievable with the RSA method is about 0.57, which represents the limit for a structure similar to liquid crystals.

Experimental Investigation on High-Cycle Fatigue of Inconel 625 Superalloy Brazed Joints

NASA Astrophysics Data System (ADS)

Chen, Jianqiang; Demers, Vincent; Turner, Daniel P.; Bocher, Philippe

2018-04-01

The high-cycle fatigue performance and crack growth pattern of transient liquid phase-brazed joints in a nickel-based superalloy Inconel 625 were studied. Assemblies with different geometries and types of overlaps were vacuum-brazed using the brazing paste Palnicro-36M in conditions such as to generate eutectic-free joints. This optimal microstructure provides the brazed assemblies with static mechanical strength corresponding to that of the base metal. However, eutectic micro-constituents were observed in the fillet region of the brazed assembly due to an incomplete isothermal solidification within this large volume of filler metal. The fatigue performance increased significantly with the overlap distance for single-lap joints, and the best performance was found for double-lap joints. It was demonstrated that these apparent changes in fatigue properties according to the specimen geometry can be rationalized when looking at the fatigue data as a function of the local stress state at the fillet radii. Fatigue cracks were nucleated from brittle eutectic phases located at the surface of the fillet region. Their propagation occurred through the bimodal microstructure of fillet and the diffusion region to reach the base metal. High levels of crack path tortuosity were observed, suggesting that the ductile phases found in the microstructure may act as a potential crack stopper. The fillet region must be considered as the critical region of a brazed assembly for fatigue applications.

Characterisation of pore structures of pharmaceutical tablets: A review.

PubMed

Markl, Daniel; Strobel, Alexa; Schlossnikl, Rüdiger; Bøtker, Johan; Bawuah, Prince; Ridgway, Cathy; Rantanen, Jukka; Rades, Thomas; Gane, Patrick; Peiponen, Kai-Erik; Zeitler, J Axel

2018-03-01

Traditionally, the development of a new solid dosage form is formulation-driven and less focus is put on the design of a specific microstructure for the drug delivery system. However, the compaction process particularly impacts the microstructure, or more precisely, the pore architecture in a pharmaceutical tablet. Besides the formulation, the pore structure is a major contributor to the overall performance of oral solid dosage forms as it directly affects the liquid uptake rate, which is the very first step of the dissolution process. In future, additive manufacturing is a potential game changer to design the inner structures and realise a tailor-made pore structure. In pharmaceutical development the pore structure is most commonly only described by the total porosity of the tablet matrix. Yet it is of great importance to consider other parameters to fully resolve the interplay between microstructure and dosage form performance. Specifically, tortuosity, connectivity, as well as pore shape, size and orientation all impact the flow paths and play an important role in describing the fluid flow in a pharmaceutical tablet. This review presents the key properties of the pore structures in solid dosage forms and it discusses how to measure these properties. In particular, the principles, advantages and limitations of helium pycnometry, mercury porosimetry, terahertz time-domain spectroscopy, nuclear magnetic resonance and X-ray computed microtomography are discussed. Copyright © 2018 Elsevier B.V. All rights reserved.

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.

Style of exhumation and rheological evolution of a Mediterranean subduction complex

NASA Astrophysics Data System (ADS)

Behr, W. M.; Platt, J. P.

2012-04-01

We examine the style of exhumation and rheological evolution of a subduction complex forming part of the Betic Cordillera in the Western Mediterranean. Rocks within the Nevado-Filabride complex (NFC) were subducted and exhumed to the surface within ~10 m.y. in the Miocene. Ti-in-quartz thermobarometry, Raman spectroscopy on graphite, and chlorite thermometry indicate that the exhumation path of the NFC was close to linear, reaching peak T and P of 550 ± 50°C and 15 ± 3 kbar. Two-dimensional thermal modeling allows us to fit this P-T-t path using exhumation rate and exhumation geometry as free parameters. We find that the P-T-t path is best fit by a model in which the rocks are subducted to > 50 km depth, exhumed rapidly along the same trajectory within a subduction channel, then captured by a low angle detachment fault cutting through the overlying crust. This model can be reconciled with the thermal history preserved in the overlying plate and is supported by the kinematics recorded in high strain fabrics within the NFC itself. We also link the exhumation history of the NFC subduction channel to the rheology of quartz-rich rocks within it by tracking changes in deformation mechanism, stress, strain rate, water content, and crystallographic preferred orientation (CPO) over time. Increasing localization during cooling allowed earlier microstructures to be preserved, such that the rocks record several stages in their exhumation history. Early deformation during initial subduction was accommodated by pressure solution under low-stress (<6 MPa), low-strain-rate, variable T conditions, and produced an inverted metamorphic gradient within the NFC. At the early stages of exhumation, the deformation mechanism at the top of the channel switched to dislocation creep at stresses of ~6-20 MPa, strain rates of < 5E-13/s and temperatures of 500-550°C. Both stress and strain rate increased with decreasing T in the channel margin, culminating in stresses of ~180 MPa, strain rates of ~5E-11/s and temperatures of ~340°C at the brittle-ductile transition. The high stresses recorded along the channel margin likely reflect both stress amplification at the mouth of the channel and edge forces generated along the trench interface by slab rollback.

Style of exhumation and rheological evolution of a Mediterranean subduction complex

NASA Astrophysics Data System (ADS)

Platt, J. P.; Behr, W. M.

2011-12-01

We examine the style of exhumation and rheological evolution of a subduction complex forming part of the Betic Cordillera in the Western Mediterranean. Rocks within the Nevado-Filabride complex (NFC) were subducted and exhumed to the surface within ~10 m.y. in the Miocene. Ti-in-quartz thermobarometry, Raman spectroscopy on graphite, and chlorite thermometry indicate that the exhumation path of the NFC was close to linear, reaching peak T and P of 550 ± 50°C and 15 ± 3 kbar. Two-dimensional thermal modeling allows us to fit this P-T-t path using exhumation rate and exhumation geometry as free parameters. We find that the P-T-t path is best fit by a model in which the rocks are subducted to > 50 km depth, exhumed rapidly along the same trajectory within a subduction channel, then captured by a low angle detachment fault cutting through the overlying crust. This model can be reconciled with the thermal history preserved in the overlying plate and is supported by the kinematics recorded in high strain fabrics within the NFC itself. We also link the exhumation history of the NFC subduction channel to the rheology of quartz-rich rocks within it by tracking changes in deformation mechanism, stress, strain rate, water content, and crystallographic preferred orientation (CPO) over time. Increasing localization during cooling allowed earlier microstructures to be preserved, such that the rocks record several stages in their exhumation history. Early deformation during initial subduction was accommodated by pressure solution under low-stress (<6 MPa), low-strain-rate, variable T conditions, and produced an inverted metamorphic gradient within the NFC. At the early stages of exhumation, the deformation mechanism at the top of the channel switched to dislocation creep at stresses of ~6-20 MPa, strain rates of < 5E-13/s and temperatures of 500-550°C. Both stress and strain rate increased with decreasing T in the channel margin, culminating in stresses of ~180 MPa, strain rates of ~5E-11/s and temperatures of ~340°C at the brittle-ductile transition. The high stresses recorded along the channel margin likely reflect both stress amplification at the mouth of the channel and edge forces generated along the trench interface by slab rollback.

Approximating the stress field within the unit cell of a fabric reinforced composite using replacement elements

NASA Technical Reports Server (NTRS)

Foye, R. L.

1993-01-01

This report concerns the prediction of the elastic moduli and the internal stresses within the unit cell of a fabric reinforced composite. In the proposed analysis no restrictions or assumptions are necessary concerning yarn or tow cross-sectional shapes or paths through the unit cell but the unit cell itself must be a right hexagonal parallelepiped. All the unit cell dimensions are assumed to be small with respect to the thickness of the composite structure that it models. The finite element analysis of a unit cell is usually complicated by the mesh generation problems and the non-standard, adjacent-cell boundary conditions. This analysis avoids these problems through the use of preprogrammed boundary conditions and replacement materials (or elements). With replacement elements it is not necessary to match all the constitutional material interfaces with finite element boundaries. Simple brick-shaped elements can be used to model the unit cell structure. The analysis predicts the elastic constants and the average stresses within each constituent material of each brick element. The application and results of this analysis are demonstrated through several example problems which include a number of composite microstructures.

Direct Bio-printing with Heterogeneous Topology Design.

PubMed

Ahsan, Amm Nazmul; Xie, Ruinan; Khoda, Bashir

2017-01-01

Bio-additive manufacturing is a promising tool to fabricate porous scaffold structures for expediting the tissue regeneration processes. Unlike the most traditional bulk material objects, the microstructures of tissue and organs are mostly highly anisotropic, heterogeneous, and porous in nature. However, modelling the internal heterogeneity of tissues/organs structures in the traditional CAD environment is difficult and oftentimes inaccurate. Besides, the de facto STL conversion of bio-models introduces loss of information and piles up more errors in each subsequent step (build orientation, slicing, tool-path planning) of the bio-printing process plan. We are proposing a topology based scaffold design methodology to accurately represent the heterogeneous internal architecture of tissues/organs. An image analysis technique is used that digitizes the topology information contained in medical images of tissues/organs. A weighted topology reconstruction algorithm is implemented to represent the heterogeneity with parametric functions. The parametric functions are then used to map the spatial material distribution. The generated information is directly transferred to the 3D bio-printer and heterogeneous porous tissue scaffold structure is manufactured without STL file. The proposed methodology is implemented to verify the effectiveness of the approach and the designed example structure is bio-fabricated with a deposition based bio-additive manufacturing system.

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

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.

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.

Small strain multiphase-field model accounting for configurational forces and mechanical jump conditions

NASA Astrophysics Data System (ADS)

Schneider, Daniel; Schoof, Ephraim; Tschukin, Oleg; Reiter, Andreas; Herrmann, Christoph; Schwab, Felix; Selzer, Michael; Nestler, Britta

2018-03-01

Computational models based on the phase-field method have become an essential tool in material science and physics in order to investigate materials with complex microstructures. The models typically operate on a mesoscopic length scale resolving structural changes of the material and provide valuable information about the evolution of microstructures and mechanical property relations. For many interesting and important phenomena, such as martensitic phase transformation, mechanical driving forces play an important role in the evolution of microstructures. In order to investigate such physical processes, an accurate calculation of the stresses and the strain energy in the transition region is indispensable. We recall a multiphase-field elasticity model based on the force balance and the Hadamard jump condition at the interface. We show the quantitative characteristics of the model by comparing the stresses, strains and configurational forces with theoretical predictions in two-phase cases and with results from sharp interface calculations in a multiphase case. As an application, we choose the martensitic phase transformation process in multigrain systems and demonstrate the influence of the local homogenization scheme within the transition regions on the resulting microstructures.

The Influence of Hydrogen on the Evolving Microstructure During Fatigue Crack Growth in Metastable and Stable Austenitic Stainless Steels

NASA Astrophysics Data System (ADS)

Nygren, Kelly Elizabeth

The effect of high levels of internal hydrogen on the microstructure evolving during stage II fatigue crack growth was investigated through a series of tensile and fatigue studies in metastable (304) and stable (316, 316L) stainless steels. The first, a tensile study in 304 stainless steel, identified the underlying microstructure which resulted in the flat and quasi-cleavage features on the fracture surface of a hydrogen-charged tensile bar. The second study utilized single-edge notched tensile specimens loaded in fatigue, and compared the evolving microstructure ahead of a fatigue crack for cases of an uncharged, 10 wppm hydrogen-charged, and 104 wppm hydrogen-charged 304 and 316L alloy. The final fatigue study, a small fatigue crack growth study in round bars of 304 and 316, provided a contextual comparison of microstructures to previous results in literature. In the metastable 304 stainless steel, hydrogen is found to change the nature of the martensitic transformation and subsequent fracture path. This transformation is attributed to enhanced plasticity and hydrogen-dislocation interactions stabilizing the austenitic matrix and confining slip to particular close-packed planes. The martensite acts as a fast diffusion pathway for hydrogen, leading to final fracture along martensitic laths or cleavage planes. In 316L, the material deforms via slip and twinning and hydrogen does not induce a change in deformation mechanisms. Instead, the enhanced plasticity and hydrogen-dislocation interactions increase the degree of plasticity, leading to smaller dislocation cell sizes with thicker walls before the onset of twinning. The crack interacts with a heavily twinned structure superimposed on dislocation cells, resulting in a curvature of one twin-variant in the direction of crack growth and the formation of a refined region at the fracture surface. These structures are localized to the crack surface and limited in rotation in the presence of hydrogen. The presence of a hydrogen content above the solution-limit led to a strengthening effect over all other samples in the round bar samples for both 304 and 316. In the SENT studies, 304 stainless steel charged to these levels showed the greatest degree of hydrogen embrittlement, while in 316L stainless steel, the samples containing these levels of hydrogen were found to be stronger in fatigue life than the 10 wppm hydrogen-charged sample. Both of the 316L hydrogen-charged samples were weaker than their uncharged counterpart. Differences in the outcomes for the two studies was attributed to the geometry and testing condition employed. When strengthening was observed, the role of hydrogen was resolved to be two-fold: hydrogen hardens the matrix in the lattice, suppressing the process zone at the crack; and hydrogen at the dislocations enhances the plasticity experienced in the region where the material is yielding ahead of crack advance in the strain lobe. Irrespective of material class, increasing stress-state on the crack within the same stage of fatigue life leads to an increase in depth of the refinement layer and level of plasticity. The refinement at the surface can be attributed to the dislocation emission created during crack advance and the deformation induced in the crack wake. The former is the primary contributor to the SENT specimen studies, while the latter is responsible for the differences observed in the round-bar studies. In 316L, when the twin structure was observed to extend to the surface, regions of light and dark contrast were observed between the twinning bundle variants which corresponded to the peaks and troughs of the striations. This observation is counter to the current understanding that striations form during the crack advance process, independently of the evolved microstructure. The resulting microstructures in all hydrogen-induced studies are discussed in terms of the impact of hydrogen-dislocation interactions and enhanced plasticity. The evolving microstructure and unique observation of striations conforming to the microstructure developed ahead of crack advance emphasize the need to revisit how fatigue models are approached. Although a challenge, models must be informed by plasticity based arguments incorporating the deformation mechanisms observed in experiments to accurately reflect fatigue crack growth.

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.

Elastic limit and microplastic response of hardened steels

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

Zaccone, M.A.; Krauss, G.

Tempered martensite-retained austenite microstructures were produced by direct quenching a series of 41XX medium carbon steels, direct quenching and reheating a series of five 0.8C-Cr-Ni-Mo steels and intercritically austenitizing at various temperatures, and quenching a SAE 52100 steel. All specimens were tempered either at 150 C or at 200 C. Specimens were subjected to compression and tension testing in the microstrain regime to determine the elastic limits and microplastic response of the microstructures. The retained austenite and matrix carbon content of the intercritically austenized specimens were measured by X-ray diffraction and Mossbauer spectroscopy. The elastic limit of the microstructures decreasesmore » with increasing amounts of retained austenite. Refining of the austenite distribution increases the elastic limit. Low elastic limits are mainly due to low flow stresses in the austenite and not internal stresses. The elastic limit correlates with the largest austenite free-mean path by a Hall-Petch type equation. The elastic limit increases with decreasing intercritical austenitizing temperature in the SAE 52100 due to a lower carbon content in the matrix reducing the retained austenite levels and retained carbides that refine grain size and, therefore, the austenite distribution in quenched specimens. In the microplastic region, the strain is accommodated by successively smaller austenite regions until the flow strength matches that of the martensite. Reheating and quenching refines the microstructure and renders the austenite unstable in the microplastic regime, causing transformation of the austenite to martensite by a strain-induced mechanism. The transformation of austenite to martensite occurs by a stress-assisted mechanism in medium carbon steels. The low elastic limits in medium carbon steels were due to the inability of the strain from the stress-assisted transformation to balance the plastic strain accumulated in the austenite.« less

Spectral characterization of porous dielectric subwavelength THz fibers fabricated using a microstructured molding technique.

PubMed

Dupuis, Alexandre; Mazhorova, Anna; Désévédavy, Frédéric; Rozé, Mathieu; Skorobogatiy, Maksim

2010-06-21

We report two novel fabrication techniques, as well as THz spectral transmission and propagation loss measurements of subwavelength plastic wires with highly porous (up to 86%) and non-porous transverse geometries. The two fabrication techniques we describe are based on the microstructured molding approach. In one technique the mold is made completely from silica by stacking and fusing silica capillaries to the bottom of a silica ampoule. The melted material is then poured into the silica mold to cast the microstructured preform. Another approach uses a microstructured mold made of a sacrificial plastic which is co-drawn with a cast preform. Material from the sacrificial mold is then dissolved after fi ber drawing. We also describe a novel THz-TDS setup with an easily adjustable optical path length, designed to perform cutback measurements using THz fibers of up to 50 cm in length. We fi nd that while both porous and non-porous subwavelength fibers of the same outside diameter have low propagation losses (alpha

Pulled Motzkin paths

NASA Astrophysics Data System (ADS)

Janse van Rensburg, E. J.

2010-08-01

In this paper the models of pulled Dyck paths in Janse van Rensburg (2010 J. Phys. A: Math. Theor. 43 215001) are generalized to pulled Motzkin path models. The generating functions of pulled Motzkin paths are determined in terms of series over trinomial coefficients and the elastic response of a Motzkin path pulled at its endpoint (see Orlandini and Whittington (2004 J. Phys. A: Math. Gen. 37 5305-14)) is shown to be R(f) = 0 for forces pushing the endpoint toward the adsorbing line and R(f) = f(1 + 2cosh f))/(2sinh f) → f as f → ∞, for forces pulling the path away from the X-axis. In addition, the elastic response of a Motzkin path pulled at its midpoint is shown to be R(f) = 0 for forces pushing the midpoint toward the adsorbing line and R(f) = f(1 + 2cosh (f/2))/sinh (f/2) → 2f as f → ∞, for forces pulling the path away from the X-axis. Formal combinatorial identities arising from pulled Motzkin path models are also presented. These identities are the generalization of combinatorial identities obtained in directed paths models to their natural trinomial counterparts.

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

ELASTIC NET FOR COX’S PROPORTIONAL HAZARDS MODEL WITH A SOLUTION PATH ALGORITHM

PubMed Central

Wu, Yichao

2012-01-01

For least squares regression, Efron et al. (2004) proposed an efficient solution path algorithm, the least angle regression (LAR). They showed that a slight modification of the LAR leads to the whole LASSO solution path. Both the LAR and LASSO solution paths are piecewise linear. Recently Wu (2011) extended the LAR to generalized linear models and the quasi-likelihood method. In this work we extend the LAR further to handle Cox’s proportional hazards model. The goal is to develop a solution path algorithm for the elastic net penalty (Zou and Hastie (2005)) in Cox’s proportional hazards model. This goal is achieved in two steps. First we extend the LAR to optimizing the log partial likelihood plus a fixed small ridge term. Then we define a path modification, which leads to the solution path of the elastic net regularized log partial likelihood. Our solution path is exact and piecewise determined by ordinary differential equation systems. PMID:23226932

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

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.

PathCase-SB architecture and database design

PubMed Central

2011-01-01

Background Integration of metabolic pathways resources and regulatory metabolic network models, and deploying new tools on the integrated platform can help perform more effective and more efficient systems biology research on understanding the regulation in metabolic networks. Therefore, the tasks of (a) integrating under a single database environment regulatory metabolic networks and existing models, and (b) building tools to help with modeling and analysis are desirable and intellectually challenging computational tasks. Description PathCase Systems Biology (PathCase-SB) is built and released. The PathCase-SB database provides data and API for multiple user interfaces and software tools. The current PathCase-SB system provides a database-enabled framework and web-based computational tools towards facilitating the development of kinetic models for biological systems. PathCase-SB aims to integrate data of selected biological data sources on the web (currently, BioModels database and KEGG), and to provide more powerful and/or new capabilities via the new web-based integrative framework. This paper describes architecture and database design issues encountered in PathCase-SB's design and implementation, and presents the current design of PathCase-SB's architecture and database. Conclusions PathCase-SB architecture and database provide a highly extensible and scalable environment with easy and fast (real-time) access to the data in the database. PathCase-SB itself is already being used by researchers across the world. PMID:22070889

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

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.

Path Flow Estimation Using Time Varying Coefficient State Space Model

NASA Astrophysics Data System (ADS)

Jou, Yow-Jen; Lan, Chien-Lun

2009-08-01

The dynamic path flow information is very crucial in the field of transportation operation and management, i.e., dynamic traffic assignment, scheduling plan, and signal timing. Time-dependent path information, which is important in many aspects, is nearly impossible to be obtained. Consequently, researchers have been seeking estimation methods for deriving valuable path flow information from less expensive traffic data, primarily link traffic counts of surveillance systems. This investigation considers a path flow estimation problem involving the time varying coefficient state space model, Gibbs sampler, and Kalman filter. Numerical examples with part of a real network of the Taipei Mass Rapid Transit with real O-D matrices is demonstrated to address the accuracy of proposed model. Results of this study show that this time-varying coefficient state space model is very effective in the estimation of path flow compared to time-invariant model.

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

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

NASA Astrophysics Data System (ADS)

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

2016-03-01

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

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

Microstructural and electrical properties of Al/n-type Si Schottky diodes with Au-CuPc nanocomposite films as interlayer

NASA Astrophysics Data System (ADS)

Reddy, P. R. Sekhar; Janardhanam, V.; Jyothi, I.; Chang, Han-Soo; Lee, Sung-Nam; Lee, Myung Sun; Reddy, V. Rajagopal; Choi, Chel-Jong

2017-11-01

Au-CuPc nanocomposite films were prepared by simultaneous evaporation of Au and CuPc with various Au and CuPc concentrations. Microstructural analysis of Au-CuPc films revealed elongated Au cluster formation from isolated Au nanoclusters with increasing Au concentration associated with coalescence of Au clusters. Au-CuPc films with different compositions were employed as interlayer in Al/n-Si Schottky diode. Barrier height and series resistance of the Al/n-Si Schottky diode with Au-CuPc interlayer decreased with increasing Au concentration. This could be associated with the enhancement of electron tunneling between neighboring clusters due to decrease in spacing of Au clusters and formation of conducting paths through the composite material. Interface state density of the Al/n-Si Schottky diode with Au-CuPc interlayer increased with increasing Au concentration. This might be because the inclusion of metal decreases the crystallinity and crystal size of the polymer matrix accompanied by the formation of local defect sites at the places of metal nucleation.

Evolution of rapidly solidified NiAlCu(B) alloy microstructure.

PubMed

Czeppe, Tomasz; Ochin, Patrick

2006-10-01

This study concerned phase transformations observed after rapid solidification and annealing at 500, 700 and 800 degrees C in 56.3 Ni-39.9 Al-3.8 Cu-0.06 B (E1) and 59.8 Ni-36.0 Al-4.3 Cu-0.06 B (E2) alloys (composition in at.%). Injection casting led to a homogeneous structure of very small, one-phase grains (2-4 microm in size). In both alloys, the phase observed at room temperature was martensite of L1(0) structure. The process of the formation of the Ni(5)Al(3) phase by atomic reordering proceeded at 285-394 degrees C in the case of E1 alloy and 450-550 degrees C in the case of E2 alloy. Further decomposition into NiAl (beta) and Ni(3)Al (gamma') phases, the microstructure and crystallography of the phases depended on the path of transformations, proceeding in the investigated case through the transformation of martensite crystallographic variants. This preserved precise crystallographic orientation between the subsequent phases, very stable plate-like morphology and very small beta + gamma' grains after annealing at 800 degrees C.

A technique for recording polycrystalline structure and orientation during in situ deformation cycles of rock analogues using an automated fabric analyser.

PubMed

Peternell, M; Russell-Head, D S; Wilson, C J L

2011-05-01

Two in situ plane-strain deformation experiments on norcamphor and natural ice using synchronous recording of crystal c-axis orientations have been performed with an automated fabric analyser and a newly developed sample press and deformation stage. Without interrupting the deformation experiment, c-axis orientations are determined for each pixel in a 5 × 5 mm sample area at a spatial resolution of 5 μm/pixel. In the case of norcamphor, changes in microstructures and associated crystallographic information, at a strain rate of ∼2 × 10(-5) s(-1), were recorded for the first time during a complete in situ deformation-cycle experiment that consisted of an annealing, deformation and post-deformation annealing path. In the case of natural ice, slower external strain rates (∼1 × 10(-6) s(-1)) enabled the investigation of small changes in the polycrystal aggregate's crystallography and microstructure for small amounts of strain. The technical setup and first results from the experiments are presented. © 2010 The Authors Journal of Microscopy © 2010 Royal Microscopical Society.

The Effects of Borides on the Mechanical Properties of TLPB Repaired Inconel 738 Superalloy

NASA Astrophysics Data System (ADS)

Wei, J.; Ye, Y.; Sun, Z.; Zou, G.; Bai, H.; Wu, A.; Liu, L.

2017-10-01

The transient liquid phase diffusion bonding (TLPB) method was used to repair an artificial crack in Inconel 738, which was notched by a femtosecond laser. Mixed ratios of BNi-1a:DF-4B were investigated at the bonding temperature of 1373 K (1100 °C) for 2 to 36 hours. The effect of borides on the mechanical properties of TLPB repaired joints was studied through analysis of the microstructure, fracture path, and morphology observations. The borides formation, morphology, distribution, and joints strength were studied in detail. The results showed that the diffusion of B can either increase or decrease the joint strength, depending on its distribution and morphology. The amount of large blocky Ni-B compounds in the precipitate zone were reduced with increasing holding time, which resulted in an increase in joint strength. Nevertheless, further increasing the holding time led to a decrease in joint strength because of the formation of continuous acicular borides in the diffusion-affected zone. The fracture modes of TLPB joints were also discussed on the basis of the microstructure and fractography.

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?'

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.

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

NASA Astrophysics Data System (ADS)

Yang, Z.; Debroy, T.

1999-06-01

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

Path generation algorithm for UML graphic modeling of aerospace test software

NASA Astrophysics Data System (ADS)

Qu, MingCheng; Wu, XiangHu; Tao, YongChao; Chen, Chao

2018-03-01

Aerospace traditional software testing engineers are based on their own work experience and communication with software development personnel to complete the description of the test software, manual writing test cases, time-consuming, inefficient, loopholes and more. Using the high reliability MBT tools developed by our company, the one-time modeling can automatically generate test case documents, which is efficient and accurate. UML model to describe the process accurately express the need to rely on the path is reached, the existing path generation algorithm are too simple, cannot be combined into a path and branch path with loop, or too cumbersome, too complicated arrangement generates a path is meaningless, for aerospace software testing is superfluous, I rely on our experience of ten load space, tailor developed a description of aerospace software UML graphics path generation algorithm.

Damage modeling of small-scale experiments on dental enamel with hierarchical microstructure.

PubMed

Scheider, I; Xiao, T; Yilmaz, E; Schneider, G A; Huber, N; Bargmann, S

2015-03-01

Dental enamel is a highly anisotropic and heterogeneous material, which exhibits an optimal reliability with respect to the various loads occurring over years. In this work, enamel's microstructure of parallel aligned rods of mineral fibers is modeled and mechanical properties are evaluated in terms of strength and toughness with the help of a multiscale modeling method. The established model is validated by comparing it with the stress-strain curves identified by microcantilever beam experiments extracted from these rods. Moreover, in order to gain further insight in the damage-tolerant behavior of enamel, the size of crystallites below which the structure becomes insensitive to flaws is studied by a microstructural finite element model. The assumption regarding the fiber strength is verified by a numerical study leading to accordance of fiber size and flaw tolerance size, and the debonding strength is estimated by optimizing the failure behavior of the microstructure on the hierarchical level above the individual fibers. Based on these well-grounded properties, the material behavior is predicted well by homogenization of a representative unit cell including damage, taking imperfections (like microcracks in the present case) into account. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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.

A two-component rain model for the prediction of attenuation and diversity improvement

NASA Technical Reports Server (NTRS)

Crane, R. K.

1982-01-01

A new model was developed to predict attenuation statistics for a single Earth-satellite or terrestrial propagation path. The model was extended to provide predictions of the joint occurrences of specified or higher attenuation values on two closely spaced Earth-satellite paths. The joint statistics provide the information required to obtain diversity gain or diversity advantage estimates. The new model is meteorologically based. It was tested against available Earth-satellite beacon observations and terrestrial path measurements. The model employs the rain climate region descriptions of the Global rain model. The rms deviation between the predicted and observed attenuation values for the terrestrial path data was 35 percent, a result consistent with the expectations of the Global model when the rain rate distribution for the path is not used in the calculation. Within the United States the rms deviation between measurement and prediction was 36 percent but worldwide it was 79 percent.

Investigation of in-body path loss in different human subjects for localization of capsule endoscope.

PubMed

Ara, Perzila; Cheng, Shaokoon; Heimlich, Michael; Dutkiewicz, Eryk

2015-01-01

Recent developments in capsule endoscopy have highlighted the need for accurate techniques to estimate the location of a capsule endoscope. A highly accurate location estimation of a capsule endoscope in the gastrointestinal (GI) tract in the range of several millimeters is a challenging task. This is mainly because the radio-frequency signals encounter high loss and a highly dynamic channel propagation environment. Therefore, an accurate path-loss model is required for the development of accurate localization algorithms. This paper presents an in-body path-loss model for the human abdomen region at 2.4 GHz frequency. To develop the path-loss model, electromagnetic simulations using the Finite-Difference Time-Domain (FDTD) method were carried out on two different anatomical human models. A mathematical expression for the path-loss model was proposed based on analysis of the measured loss at different capsule locations inside the small intestine. The proposed path-loss model is a good approximation to model in-body RF propagation, since the real measurements are quite infeasible for the capsule endoscopy subject.

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.

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.

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

DOE PAGES

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

2015-12-22

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

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.

Water Management In PEM Fuel Cell -“ A Lattice-Boltzmann Modeling Approach

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

Mukherjee, Shiladitya; Cole, James Vernon; Jain, Kunal

2009-06-01

In Proton Exchange Membrane Fuel Cells (PEMFCs), water management and the effective transport of water through the gas-diffusion-layer (GDL) are key issues for improved performance at high power density and for durability during freeze-thaw cycles. The diffusion layer is a thin (~150-350{micro}m), porous material typically composed of a web of carbon fibers and particles, and is usually coated with hydrophobic Teflon to remove the excess water through capillary action. In-situ diagnostics of water movement and gas-reactant transport through this thin opaque substrate is challenging. Numerical analyses are typically based on simplified assumptions, such as Darcy's Law and Leverett functions formore » the capillary pressure. The objective of this work is to develop a high fidelity CFD modeling and analysis tool to capture the details of multiphase transport through the porous GDL. The tool can be utilized to evaluate GDL material design concepts and optimize systems based on the interactions between cell design, materials, and operating conditions. The flow modeling is based on the Lattice Boltzmann Method (LBM). LBM is a powerful modeling tool to simulate multiphase flows. Its strength is in its kinetic theory based foundation, which provides a fundamental basis for incorporating intermolecular forces that lead to liquid-gas phase separation and capillary effects without resorting to expensive or ad-hoc interface reconstruction schemes. At the heart of the solution algorithm is a discrete form of the well-known Boltzmann Transport Equation (BTE) for molecular distribution, tailored to recover the continuum Navier-Stokes flow. The solution advances by a streaming and collision type algorithm, mimicking actual molecular physics, which makes it suitable for porous media involving complex boundaries. We developed a numerical scheme to reconstruct various porous GDL microstructures including Teflon loading. Single and multiphase LBM models are implemented to compute permeability. Predicted values are in good agreement with measured data. The present modeling approach resolves the GDL microstructures and captures the influence of fiber orientation on permeability and the influence of Teflon loading on the development of preferential flow paths through the GDL. These observations can potentially guide the development of novel GDL materials designed for efficient removal of water.« less

Intelligent path loss prediction engine design using machine learning in the urban outdoor environment

NASA Astrophysics Data System (ADS)

Wang, Ruichen; Lu, Jingyang; Xu, Yiran; Shen, Dan; Chen, Genshe; Pham, Khanh; Blasch, Erik

2018-05-01

Due to the progressive expansion of public mobile networks and the dramatic growth of the number of wireless users in recent years, researchers are motivated to study the radio propagation in urban environments and develop reliable and fast path loss prediction models. During last decades, different types of propagation models are developed for urban scenario path loss predictions such as the Hata model and the COST 231 model. In this paper, the path loss prediction model is thoroughly investigated using machine learning approaches. Different non-linear feature selection methods are deployed and investigated to reduce the computational complexity. The simulation results are provided to demonstratethe validity of the machine learning based path loss prediction engine, which can correctly determine the signal propagation in a wireless urban setting.

Think-Aloud Process Superior to Thought-Listing in Increasing Children's Critical Processing of Advertising

ERIC Educational Resources Information Center

Rozendaal, Esther; Buijzen, Moniek; Valkenburg, Patti M.

2012-01-01

This study develops and tests a model of children's critical processing of advertising. Within this model, 2 paths to reduced advertising susceptibility (i.e., attitude toward the advertised brand) were hypothesized: a cognitive path and an affective path. The secondary aim was to compare these paths for different thought verbalization processes:…

Corrosion behavior of alloy 800H (Fe-21Cr-32Ni) in supercritical water

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

Tan, Lizhen; Allen, Todd R.; Yang, Ying

2011-01-01

The effect of testing conditions (temperature, time, and oxygen content) and material's microstructure (the as-received and the grain boundary engineered conditions) on the corrosion behavior of alloy 800H in high-temperature pressurized water was studied using a variety of characterization techniques. Oxidation was observed as the primary corrosion behavior on the samples. Oxide exfoliation was significantly mitigated on the grain boundary engineered samples compared to the as-received ones. The oxide formation, including some 'mushroom-shaped oxidation', is predicted via a combination of thermodynamics and kinetics influenced by the preferential diffusion of specific species using short-cut diffusion paths.

Influence of injection molding process parameters on fiber concentration distribution in long glass fiber reinforced polypropylene

NASA Astrophysics Data System (ADS)

Scantamburlo, Andrea; Gazzola, Luca; Sorgato, Marco; Lucchetta, Giovanni

2018-05-01

In parts manufactured by injection molding of long glass fiber reinforced polypropylene, the local fiber orientation, fiber concentration and fiber length distribution varies along both the thickness direction and the flow path. This heterogeneous microstructure significantly influences the mechanical properties variability in the molded parts. The aim of this work is to investigate the influence of the matrix viscosity, the injection speed and the mold geometry on the fiber concentration distribution. In particular, the factors involved in fiber-matrix separation and fiber pull-out during the injection phases were analyzed in order to understand the phenomenon.

Stress corrosion cracking of Ti-8Al-1 Mo-1V in molten salts

NASA Technical Reports Server (NTRS)

Smyrl, W. H.; Blackburn, M. J.

1975-01-01

The stress corrosion cracking (SCC) behavior of Ti-8Al-1 Mo-1V has been studied in several molten salt environments. Extensive data are reported for the alloy in highly pure LiCl-KCl. The influence of the metallurgical heat treatment and texture, and the mechanical microstructure show similarities with aqueous solutions at lower temperature. The fracture path and cracking modes are also similar to that found in other environments. The influence of H2O and H(-) in molten LiCl-KCl lead to the conclusion that hydrogen does not play a major role in crack extension in this environment.

3He Diffusion MRI of the Lung

PubMed Central

Conradi, Mark S.; Yablonskiy, Dmitriy A.; Woods, Jason C.; Gierada, David S.; Jacob, Richard E.; Chang, Yulin V.; Choong, Cliff K.; Sukstanskii, Alex L.; Tanoli, Tariq; Lefrak, Stephen S.; Cooper, Joel D.

2007-01-01

Rationale and Objectives MR imaging of the restricted diffusion of laser-polarized 3He gas provides unique insights into the changes in lung microstructure in emphysema. Results We discuss measurements of ventilation (spin density), mean diffusivity, and the anisotropy of diffusion, which yields the mean acinar airway radius. In addition, the use of spatially modulated longitudinal magnetization allows diffusion to be measured over longer distances and times, with sensitivity to collateral ventilation paths. Early results are also presented for spin density and diffusivity maps made with a perfluorinated inert gas, C3F8. Methods Techniques for purging and imaging excised lungs are discussed. PMID:16253852

Brittle behavior of ceramic matrix composites made of 2 different phases

NASA Astrophysics Data System (ADS)

Sadowski, Tomasz; Craciun, Eduard; Marsavina, Liviu

2018-02-01

Brittle behavior of Ceramic matrix Composites (CMCs) results from overall response to applied loads due to complex of their internal microstructure. The CMCs materials are composed of mixtures of phases, some amount of porosity and technological defects. The phases can exhibit purely elastic behavior or elastic-plastic one under high level of loading. The crucial point in description of their behavior is correlation of microcracking processes with the type of loading, i.e. tensile or compressive. This distinction in the material behavior is typical for so called brittle materials. In this paper we compared both microcracking processes for the above 2 characteristic loading paths.

Calculating Path-Dependent Travel Time Prediction Variance and Covariance fro a Global Tomographic P-Velocity Model

NASA Astrophysics Data System (ADS)

Ballard, S.; Hipp, J. R.; Encarnacao, A.; Young, C. J.; Begnaud, M. L.; Phillips, W. S.

2012-12-01

Seismic event locations can be made more accurate and precise by computing predictions of seismic travel time through high fidelity 3D models of the wave speed in the Earth's interior. Given the variable data quality and uneven data sampling associated with this type of model, it is essential that there be a means to calculate high-quality estimates of the path-dependent variance and covariance associated with the predicted travel times of ray paths through the model. In this paper, we describe a methodology for accomplishing this by exploiting the full model covariance matrix and show examples of path-dependent travel time prediction uncertainty computed from SALSA3D, our global, seamless 3D tomographic P-velocity model. Typical global 3D models have on the order of 1/2 million nodes, so the challenge in calculating the covariance matrix is formidable: 0.9 TB storage for 1/2 of a symmetric matrix, necessitating an Out-Of-Core (OOC) blocked matrix solution technique. With our approach the tomography matrix (G which includes Tikhonov regularization terms) is multiplied by its transpose (GTG) and written in a blocked sub-matrix fashion. We employ a distributed parallel solution paradigm that solves for (GTG)-1 by assigning blocks to individual processing nodes for matrix decomposition update and scaling operations. We first find the Cholesky decomposition of GTG which is subsequently inverted. Next, we employ OOC matrix multiplication methods to calculate the model covariance matrix from (GTG)-1 and an assumed data covariance matrix. Given the model covariance matrix, we solve for the travel-time covariance associated with arbitrary ray-paths by summing the model covariance along both ray paths. Setting the paths equal and taking the square root yields the travel prediction uncertainty for the single path.

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

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.

Influence of Shear Stiffness Degradation on Crack Paths in Uni-Directional Composite Laminates

NASA Technical Reports Server (NTRS)

Satyanarayana, Arunkumar; Bogert, Phil B.

2017-01-01

Influence of shear stiffness degradation in an element, due to damage, on crack paths in uni-directional laminates has been demonstrated. A new shear stiffness degradation approach to improve crack path prediction has been developed and implemented in an ABAQUS/Explicit frame work using VUMAT. Three progressive failure analysis models, built-in ABAQUS (TradeMark), original COmplete STress Reduction (COSTR) and the modified COSTR damage models have been utilized in this study to simulate crack paths in five unidirectional notched laminates, 15deg, 30deg, 45deg, 60deg and 75deg under uniaxial tension load. Results such as crack paths and load vs. edge displacement curves are documented in this report. Modified COSTR damage model shows better accuracy in predicting crack paths in all the uni-directional laminates compared to the ABAQUS (TradeMark) and the original COSTR damage models.

Using GPS RO L1 data for calibration of the atmospheric path delay model for data reduction of the satellite altimetery observations.

NASA Astrophysics Data System (ADS)

Petrov, L.

2017-12-01

Processing satellite altimetry data requires the computation of path delayin the neutral atmosphere that is used for correcting ranges. The path delayis computed using numerical weather models and the accuracy of its computationdepends on the accuracy of numerical weather models. Accuracy of numerical modelsof numerical weather models over Antarctica and Greenland where there is a very sparse network of ground stations, is not well known. I used the dataset of GPS RO L1 data, computed predicted path delay for ROobservations using the numerical whether model GEOS-FPIT, formed the differences with observed path delay and used these differences for computationof the corrections to the a priori refractivity profile. These profiles wereused for computing corrections to the a priori zenith path delay. The systematic patter of these corrections are used for de-biasing of the the satellite altimetry results and for characterization of the systematic errorscaused by mismodeling atmosphere.

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.

Fatigue crack growth in an aluminum alloy-fractographic study

NASA Astrophysics Data System (ADS)

Salam, I.; Muhammad, W.; Ejaz, N.

2016-08-01

A two-fold approach was adopted to understand the fatigue crack growth process in an Aluminum alloy; fatigue crack growth test of samples and analysis of fractured surfaces. Fatigue crack growth tests were conducted on middle tension M(T) samples prepared from an Aluminum alloy cylinder. The tests were conducted under constant amplitude loading at R ratio 0.1. The stress applied was from 20,30 and 40 per cent of the yield stress of the material. The fatigue crack growth data was recorded. After fatigue testing, the samples were subjected to detailed scanning electron microscopic (SEM) analysis. The resulting fracture surfaces were subjected to qualitative and quantitative fractographic examinations. Quantitative fracture analysis included an estimation of crack growth rate (CGR) in different regions. The effect of the microstructural features on fatigue crack growth was examined. It was observed that in stage II (crack growth region), the failure mode changes from intergranular to transgranular as the stress level increases. In the region of intergranular failure the localized brittle failure was observed and fatigue striations are difficult to reveal. However, in the region of transgranular failure the crack path is independent of the microstructural features. In this region, localized ductile failure mode was observed and well defined fatigue striations were present in the wake of fatigue crack. The effect of interaction of growing fatigue crack with microstructural features was not substantial. The final fracture (stage III) was ductile in all the cases.

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.

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.

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

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.

The mechanical properties and microstructures of vanadium bearing high strength dual phase steels processed with continuous galvanizing line simulations

NASA Astrophysics Data System (ADS)

Gong, Yu

For galvanized or galvannealed steels to be commercially successful, they must exhibit several attributes: (i) easy and inexpensive processing in the hot mill, cold mill and on the coating line, (ii) high strength with good formability and spot weldability, and (iii) good corrosion resistance. At the beginning of this thesis, compositions with a common base but containing various additions of V or Nb with or without high N were designed and subjected to Gleeble simulations of different galvanizing(GI), galvannealing(GA) and supercooling processing. The results revealed the phase balance was strongly influenced by the different microalloying additions, while the strengths of each phase were somewhat less affected. Our research revealed that the amount of austenite formed during intercritical annealing can be strongly influenced by the annealing temperature and the pre-annealing conditions of the hot band (coiling temperature) and cold band (% cold reduction). In the late part of this thesis, the base composition was a low carbon steel which would exhibit good spot weldability. To this steel were added two levels of Cr and Mo for strengthening the ferrite and increasing the hardenability of intercritically formed austenite. Also, these steels were produced with and without the addition of vanadium in an effort to further increase the strength. Since earlier studies revealed a relationship between the nature of the starting cold rolled microstructure and the response to CGL processing, the variables of hot band coiling temperature and level of cold reduction prior to annealing were also studied. Finally, in an effort to increase strength and ductility of both the final sheet (general formability) and the sheared edges of cold punched holes (local formability), a new thermal path was developed that replaced the conventional GI ferrite-martensite microstructure with a new ferrite-martensite-tempered martensite and retained austenite microstructure. The new microstructure exhibited a somewhat lower strength but much high general and local formabilities. In this thesis, both the physical and mechanical metallurgy of these steels and processes will be discussed. This research has shown that simple compositions and processes can result in DP steels with so-called Generation III properties.

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.

Effect of crystallographic orientations of grains on the global mechanical properties of steel sheets by depth sensing indentation

NASA Astrophysics Data System (ADS)

Burik, P.; Pesek, L.; Kejzlar, P.; Andrsova, Z.; Zubko, P.

2017-01-01

The main idea of this work is using a physical model to prepare a virtual material with required properties. The model is based on the relationship between the microstructure and mechanical properties. The macroscopic (global) mechanical properties of steel are highly dependent upon microstructure, crystallographic orientation of grains, distribution of each phase present, etc... We need to know the local mechanical properties of each phase separately in multiphase materials. The grain size is a scale, where local mechanical properties are responsible for the behavior. Nanomechanical testing using depth sensing indentation (DSI) provides a straightforward solution for quantitatively characterizing each of phases in microstructure because it is very powerful technique for characterization of materials in small volumes. The aim of this experimental investigation is: (i) to prove how the mixing rule works for local mechanical properties (indentation hardness HIT) in microstructure scale using the DSI technique on steel sheets with different microstructure; (ii) to compare measured global properties with properties achieved by mixing rule; (iii) to analyze the effect of crystallographic orientations of grains on the mixing rule.

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...

Distribution path robust optimization of electric vehicle with multiple distribution centers

PubMed Central

Hao, Wei; He, Ruichun; Jia, Xiaoyan; Pan, Fuquan; Fan, Jing; Xiong, Ruiqi

2018-01-01

To identify electrical vehicle (EV) distribution paths with high robustness, insensitivity to uncertainty factors, and detailed road-by-road schemes, optimization of the distribution path problem of EV with multiple distribution centers and considering the charging facilities is necessary. With the minimum transport time as the goal, a robust optimization model of EV distribution path with adjustable robustness is established based on Bertsimas’ theory of robust discrete optimization. An enhanced three-segment genetic algorithm is also developed to solve the model, such that the optimal distribution scheme initially contains all road-by-road path data using the three-segment mixed coding and decoding method. During genetic manipulation, different interlacing and mutation operations are carried out on different chromosomes, while, during population evolution, the infeasible solution is naturally avoided. A part of the road network of Xifeng District in Qingyang City is taken as an example to test the model and the algorithm in this study, and the concrete transportation paths are utilized in the final distribution scheme. Therefore, more robust EV distribution paths with multiple distribution centers can be obtained using the robust optimization model. PMID:29518169

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.

Modeling macro-and microstructures of gas-metal-arc welded HSLA-100 steel

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

Yang, Z.; Debroy, T.

1999-06-01

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

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.

Hydrodynamic metamaterials: Microfabricated arrays to steer, refract, and focus streams of biomaterials

PubMed Central

Morton, Keith J.; Loutherback, Kevin; Inglis, David W.; Tsui, Ophelia K.; Sturm, James C.; Chou, Stephen Y.; Austin, Robert H.

2008-01-01

We show that it is possible to direct particles entrained in a fluid along trajectories much like rays of light in classical optics. A microstructured, asymmetric post array forms the core hydrodynamic element and is used as a building block to construct microfluidic metamaterials and to demonstrate refractive, focusing, and dispersive pathways for flowing beads and cells. The core element is based on the concept of deterministic lateral displacement where particles choose different paths through the asymmetric array based on their size: Particles larger than a critical size are displaced laterally at each row by a post and move along the asymmetric axis at an angle to the flow, while smaller particles move along streamline paths. We create compound elements with complex particle handling modes by tiling this core element using multiple transformation operations; we show that particle trajectories can be bent at an interface between two elements and that particles can be focused into hydrodynamic jets by using a single inlet port. Although particles propagate through these elements in a way that strongly resembles light rays propagating through optical elements, there are unique differences in the paths of our particles as compared with photons. The unusual aspects of these modular, microfluidic metamaterials form a rich design toolkit for mixing, separating, and analyzing cells and functional beads on-chip. PMID:18495920

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.

An improved empirical model for diversity gain on Earth-space propagation paths

NASA Technical Reports Server (NTRS)

Hodge, D. B.

1981-01-01

An empirical model was generated to estimate diversity gain on Earth-space propagation paths as a function of Earth terminal separation distance, link frequency, elevation angle, and angle between the baseline and the path azimuth. The resulting model reproduces the entire experimental data set with an RMS error of 0.73 dB.

Generalized Path Analysis and Generalized Simultaneous Equations Model for Recursive Systems with Responses of Mixed Types

ERIC Educational Resources Information Center

Tsai, Tien-Lung; Shau, Wen-Yi; Hu, Fu-Chang

2006-01-01

This article generalizes linear path analysis (PA) and simultaneous equations models (SiEM) to deal with mixed responses of different types in a recursive or triangular system. An efficient instrumental variable (IV) method for estimating the structural coefficients of a 2-equation partially recursive generalized path analysis (GPA) model and…

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.

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.

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.

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.

Diffraction-based study of fatigue crack initiation and propagation in aerospace aluminum alloys

NASA Astrophysics Data System (ADS)

Gupta, Vipul K.

The crack initiation sites and microstructure-sensitive growth of small fatigue cracks are experimentally characterized in two precipitation-hardened aluminum alloys, 7075-T651 and 7050-T7451, stressed in ambient temperature moist-air (warm-humid) and -50°C dry N2 (cold-dry) environmental conditions. Backscattered electron imaging (BSE) and energy dispersive spectroscopy (EDS) of the fracture surfaces showed that Fe-Cu rich constituent particle clusters are the most common initiation sites within both alloys stressed in either environment. The crack growth within each alloy, on average, was observed to be slowed in the cold-dry environment than in the warm-humid environment, but only at longer crack lengths. Although no overwhelming effects of grain boundaries and grain orientations on small-crack growth were observed, crack growth data showed local fluctuations within individual grains. These observations are understood as crack propagation through the underlying substructure at the crack surface and frequent interaction with low/high-angle grain and subgrain boundaries, during cyclic loading, and, are further attributed to periodic changes in crack propagation path and multiple occurrences of crack-branching observed in the current study. SEM-based stereology in combination with electron backscattered diffraction (EBSD) established fatigue crack surface crystallography within the region from ˜1 to 50 mum of crack initiating particle clusters. Fatigue crack facets were parallel to a wide variety of crystallographic planes, with pole orientations distributed broadly across the irreducible stereographic triangle between the {001} and {101}-poles within both warm-humid and cold-dry environments. The results indicate environmentally affected fatigue cracking in both cases, given the similarity between the observed morphology and crystallography with that of a variety of aerospace aluminum alloys cracked in the presence of moist-air. There was no evidence of crystallographic {111} slip-plane cracking typical of the Stage I crack growth mode observed in single crystals and high purity polycrystals of face centered cubic metals, and which has presently been assumed for the present materials within fatigue crack initiation models. Rather, the facets tend to have near-Mode I spatial orientation, which is another indicator of the importance of environmentally affected fatigue damage. The results provide a physical basis to develop microstructurally-based next generation multi-stage fatigue (MSF) models that should include a new crack decohesion criteria based upon environmental fatigue cracking mechanisms. EBSD study of small-cracks in alloy 7050-T7451, stressed in warm-humid environment, showed that crack-path orientation changes and crack-branching occurred at both low/high-angle grain and subgrain boundaries. Single surface trace analysis suggests that the crack-path differs substantially from crystallographic slip-planes. EBSD-based observations of small-crack propagation through subgrain structure, either formed by cyclic plastic strain accumulation or pre-existing (typical of unrecrystallized grain structure in the present materials), suggest that subgrain structure plays a crucial role in small fatigue crack propagation. As mentioned earlier, local fluctuations in small-crack growth rates appear to be caused by frequent interaction with subgrain boundaries, and multiple occurrences of crack-branching and crack-path orientation changes at low/high-angle grain and subgrain boundaries. The aforementioned deviation from low-index {001}/{101}-planes and the occurrence of high-index cracking planes observed by EBSD/Stereology, in this study and others, are interpreted as trans-subgranular decohesion or inter-subgranular cracking, due to trapped hydrogen. In summary, the results provide a firmer experimental foundation for, and clearer understanding of, the mechanisms of environmental fatigue cracking of aluminum alloys, especially the role of inter-subgranular cracking, which had previously been advanced based upon fracture surface observations alone.

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.

Permanent Mold Casting of JIS-AC4C Aluminum Alloy Using a Low-Temperature Mold

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

Yamagata, Hiroshi; Nikawa, Makoto

2011-01-17

Permanent mold casting using mold temperatures below 200 deg. C was conducted to obtain a high-strength, thin-walled casting. Al-7.36 mass% Si -0.18 Cu- 0.27Mg-0.34Fe alloy JIS-AC4C was cast using a bottom pouring cast plan. The product had a rectangular tube shape (70 mm W x 68 mm D x 180 mm H) with wall thicknesses of 1, 3 and 5 mm. The effect of heat insulation at the melt path was compared when using a sand runner insert and when using a steel runner insert as well as a powder mold release agent. Fine microstructures were observed in the casting.more » The smaller the thickness, the higher the hardness with smaller secondary dendrite arm spacing (SDAS). However, the hardness and the SDAS were unaffected by the mold temperature. It was proposed that the avoidance of the formation of primary {alpha} dendrite at the melt path generates a higher strength casting with adequate mold filling.« less

Measurements of radiated elastic wave energy from dynamic tensile cracks

NASA Technical Reports Server (NTRS)

Boler, Frances M.

1990-01-01

The role of fracture-velocity, microstructure, and fracture-energy barriers in elastic wave radiation during a dynamic fracture was investigated in experiments in which dynamic tensile cracks of two fracture cofigurations of double cantilever beam geometry were propagating in glass samples. The first, referred to as primary fracture, consisted of fractures of intact glass specimens; the second configuration, referred to as secondary fracture, consisted of a refracture of primary fracture specimens which were rebonded with an intermittent pattern of adhesive to produce variations in fracture surface energy along the crack path. For primary fracture cases, measurable elastic waves were generated in 31 percent of the 16 fracture events observed; the condition for radiation of measurable waves appears to be a local abrupt change in the fracture path direction, such as occurs when the fracture intersects a surface flaw. For secondary fractures, 100 percent of events showed measurable elastic waves; in these fractures, the ratio of radiated elastic wave energy in the measured component to fracture surface energy was 10 times greater than for primary fracture.

Fugitive methane leak detection using mid-infrared hollow-core photonic crystal fiber containing ultrafast laser drilled side-holes

NASA Astrophysics Data System (ADS)

Karp, Jason; Challener, William; Kasten, Matthias; Choudhury, Niloy; Palit, Sabarni; Pickrell, Gary; Homa, Daniel; Floyd, Adam; Cheng, Yujie; Yu, Fei; Knight, Jonathan

2016-05-01

The increase in domestic natural gas production has brought attention to the environmental impacts of persistent gas leakages. The desire to identify fugitive gas emission, specifically for methane, presents new sensing challenges within the production and distribution supply chain. A spectroscopic gas sensing solution would ideally combine a long optical path length for high sensitivity and distributed detection over large areas. Specialty micro-structured fiber with a hollow core can exhibit a relatively low attenuation at mid-infrared wavelengths where methane has strong absorption lines. Methane diffusion into the hollow core is enabled by machining side-holes along the fiber length through ultrafast laser drilling methods. The complete system provides hundreds of meters of optical path for routing along well pads and pipelines while being interrogated by a single laser and detector. This work will present transmission and methane detection capabilities of mid-infrared photonic crystal fibers. Side-hole drilling techniques for methane diffusion will be highlighted as a means to convert hollow-core fibers into applicable gas sensors.

Development of weldable, corrosion-resistant iron-aluminide (FeAl) alloys

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

Maziasz, P.J.; Goodwin, G.M.; Wang, X.L.

1997-04-01

A boron-microalloyed FeAl alloy (Fe-36Al-0.2Mo-0.05Zr-0.13C, at.%, with 100-400 appm B) with improved weldability and mechanical properties was developed in FY 1994. A new scale-up and industry technology development phase for this work began in FY 1995, pursuing two parallel paths. One path was developing monolithic FeAl component and application technology, and the other was developing coating/cladding technology for alloy steels, stainless steels and other Fe-Cr-Ni alloys. In FY 1995, it was found that cast FeAl alloys had good strength at 700-750{degrees}C, and some (2.5%) ductility in air at room-temperature. Hot-extruded FeAl with refined grain size was found to have ductilitymore » and to also have good impact-toughness at room-temperature. Further, it was discovered that powder-metallurgy (P/M) FeAl, consolidated by direct hot-extrusion at 950-1000{degrees}C to have an ultra fine-grained microstructure, had the highest ductility, strength and impact-toughness ever seen in such intermetallic alloys.« less

Cartographic modeling of snow avalanche path location within Glacier National Park, Montana

NASA Technical Reports Server (NTRS)

Walsh, Stephen J.; Brown, Daniel G.; Bian, Ling; Butler, David R.

1990-01-01

Geographic information system (GIS) techniques were applied to the study of snow-avalanche path location within Glacier National Park, Montana. Aerial photointerpretation and field surveys confirmed the location of 121 avalanche paths within the selected study area. Spatial and nonspatial information on each path were integrated using the ARC/INFO GIS. Lithologic, structural, hydrographic, topographic, and land-cover impacts on path location were analyzed. All path frequencies within variable classes were normalized by the area of class occurrence relative to the total area of the study area and were added to the morphometric information contained within INFO tables. The normalized values for each GIS coverage were used to cartographically model, by means of composite factor weightings, avalanche path locations.

Path-Dependent Travel Time Prediction Variance and Covariance for a Global Tomographic P- and S-Velocity Model

NASA Astrophysics Data System (ADS)

Hipp, J. R.; Ballard, S.; Begnaud, M. L.; Encarnacao, A. V.; Young, C. J.; Phillips, W. S.

2015-12-01

Recently our combined SNL-LANL research team has succeeded in developing a global, seamless 3D tomographic P- and S-velocity model (SALSA3D) that provides superior first P and first S travel time predictions at both regional and teleseismic distances. However, given the variable data quality and uneven data sampling associated with this type of model, it is essential that there be a means to calculate high-quality estimates of the path-dependent variance and covariance associated with the predicted travel times of ray paths through the model. In this paper, we describe a methodology for accomplishing this by exploiting the full model covariance matrix and show examples of path-dependent travel time prediction uncertainty computed from our latest tomographic model. Typical global 3D SALSA3D models have on the order of 1/2 million nodes, so the challenge in calculating the covariance matrix is formidable: 0.9 TB storage for 1/2 of a symmetric matrix, necessitating an Out-Of-Core (OOC) blocked matrix solution technique. With our approach the tomography matrix (G which includes a prior model covariance constraint) is multiplied by its transpose (GTG) and written in a blocked sub-matrix fashion. We employ a distributed parallel solution paradigm that solves for (GTG)-1 by assigning blocks to individual processing nodes for matrix decomposition update and scaling operations. We first find the Cholesky decomposition of GTG which is subsequently inverted. Next, we employ OOC matrix multiplication methods to calculate the model covariance matrix from (GTG)-1 and an assumed data covariance matrix. Given the model covariance matrix, we solve for the travel-time covariance associated with arbitrary ray-paths by summing the model covariance along both ray paths. Setting the paths equal and taking the square root yields the travel prediction uncertainty for the single path.

State-variable theories for nonelastic deformation

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

Li, C.Y.

The various concepts of mechanical equation of state for nonelastic deformation in crystalline solids, originally proposed for plastic deformation, have been recently extended to describe additional phenomena such as anelastic and microplastic deformation including the Bauschinger effect. It has been demonstrated that it is possible to predict, based on current state variables in a unified way, the mechanical response of a material under an arbitrary loading. Thus, if the evolution laws of the state variables are known, one can describe the behavior of a material for a thermal-mechanical path of interest, for example, during constant load (or stress) creep withoutmore » relying on specialized theories. Some of the existing theories of mechanical equation of state for nonelastic deformation are reviewed. The establishment of useful forms of mechanical equation of state has to depend on extensive experimentation in the same way as that involved in the development, for example, the ideal gas law. Recent experimental efforts are also reviewed. It has been possible to develop state-variable deformation models based on experimental findings and apply them to creep, cyclic deformation, and other time-dependent deformation. Attempts are being made to correlate the material parameters of the state-variable models with the microstructure of a material. 24 figures.« less

Paper-cutting operations using scissors in Drury's law tasks.

PubMed

Yamanaka, Shota; Miyashita, Homei

2018-05-01

Human performance modeling is a core topic in ergonomics. In addition to deriving models, it is important to verify the kinds of tasks that can be modeled. Drury's law is promising for path tracking tasks such as navigating a path with pens or driving a car. We conducted an experiment based on the observation that paper-cutting tasks using scissors resemble such tasks. The results showed that cutting arc-like paths (1/4 of a circle) showed an excellent fit with Drury's law (R 2  > 0.98), whereas cutting linear paths showed a worse fit (R 2  > 0.87). Since linear paths yielded better fits when path amplitudes were divided (R 2  > 0.99 for all amplitudes), we discuss the characteristics of paper-cutting operations using scissors. Copyright © 2018 Elsevier Ltd. All rights reserved.

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).

Damascus Steel Revisited

NASA Astrophysics Data System (ADS)

Verhoeven, J. D.; Pendray, A. H.; Dauksch, W. E.; Wagstaff, S. R.

2018-05-01

A review is given of the work we presented in the 1990s that successfully developed a technique for reproducing the surface patterns and internal microstructure of genuine Damascus steel blades. That work showed that a key factor in making these blades was the addition of quite small levels of carbide-forming elements, notably V. Experiments are presented for blades made from slow- and fast-cooled ingots, and the results support our previous hypothesis that the internal banded microstructure results from microsegregation of V between dendrites during ingot solidification. A hypothetical model was presented for the mechanism causing the unique internal microstructure that gives rise to the surface pattern forming during the forging of the ingots from which the blades are made. This article attempts to explain the model more clearly and presents some literature data that offer support to the model. It also discusses an alternate model recently proposed by Foll.

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.

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.

Analysis of water flow paths: methodology and example calculations for a potential geological repository in Sweden.

PubMed

Werner, Kent; Bosson, Emma; Berglund, Sten

2006-12-01

Safety assessment related to the siting of a geological repository for spent nuclear fuel deep in the bedrock requires identification of potential flow paths and the associated travel times for radionuclides originating at repository depth. Using the Laxemar candidate site in Sweden as a case study, this paper describes modeling methodology, data integration, and the resulting water flow models, focusing on the Quaternary deposits and the upper 150 m of the bedrock. Example simulations identify flow paths to groundwater discharge areas and flow paths in the surface system. The majority of the simulated groundwater flow paths end up in the main surface waters and along the coastline, even though the particles used to trace the flow paths are introduced with a uniform spatial distribution at a relatively shallow depth. The calculated groundwater travel time, determining the time available for decay and retention of radionuclides, is on average longer to the coastal bays than to other biosphere objects at the site. Further, it is demonstrated how GIS-based modeling can be used to limit the number of surface flow paths that need to be characterized for safety assessment. Based on the results, the paper discusses an approach for coupling the present models to a model for groundwater flow in the deep bedrock.

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.

Micromechanical investigation of ductile failure in Al 5083-H116 via 3D unit cell modeling

NASA Astrophysics Data System (ADS)

Bomarito, G. F.; Warner, D. H.

2015-01-01

Ductile failure is governed by the evolution of micro-voids within a material. The micro-voids, which commonly initiate at second phase particles within metal alloys, grow and interact with each other until failure occurs. The evolution of the micro-voids, and therefore ductile failure, depends on many parameters (e.g., stress state, temperature, strain rate, void and particle volume fraction, etc.). In this study, the stress state dependence of the ductile failure of Al 5083-H116 is investigated by means of 3-D Finite Element (FE) periodic cell models. The cell models require only two pieces of information as inputs: (1) the initial particle volume fraction of the alloy and (2) the constitutive behavior of the matrix material. Based on this information, cell models are subjected to a given stress state, defined by the stress triaxiality and the Lode parameter. For each stress state, the cells are loaded in many loading orientations until failure. Material failure is assumed to occur in the weakest orientation, and so the orientation in which failure occurs first is considered as the critical orientation. The result is a description of material failure that is derived from basic principles and requires no fitting parameters. Subsequently, the results of the simulations are used to construct a homogenized material model, which is used in a component-scale FE model. The component-scale FE model is compared to experiments and is shown to over predict ductility. By excluding smaller nucleation events and load path non-proportionality, it is concluded that accuracy could be gained by including more information about the true microstructure in the model; emphasizing that its incorporation into micromechanical models is critical to developing quantitatively accurate physics-based ductile failure models.

Implications of path tolerance and path characteristics on critical vehicle manoeuvres

NASA Astrophysics Data System (ADS)

Lundahl, K.; Frisk, E.; Nielsen, L.

2017-12-01

Path planning and path following are core components in safe autonomous driving. Typically, a path planner provides a path with some tolerance on how tightly the path should be followed. Based on that, and other path characteristics, for example, sharpness of curves, a speed profile needs to be assigned so that the vehicle can stay within the given tolerance without going unnecessarily slow. Here, such trajectory planning is based on optimal control formulations where critical cases arise as on-the-limit solutions. The study focuses on heavy commercial vehicles, causing rollover to be of a major concern, due to the relatively high centre of gravity. Several results are obtained on required model complexity depending on path characteristics, for example, quantification of required path tolerance for a simple model to be sufficient, quantification of when yaw inertia needs to be considered in more detail, and how the curvature rate of change interplays with available friction. Overall, in situations where the vehicle is subject to a wide range of driving conditions, from good transport roads to more tricky avoidance manoeuvres, the requirements on the path following will vary. For this, the provided results form a basis for real-time path following.

Personalized Modeling for Prediction with Decision-Path Models

PubMed Central

Visweswaran, Shyam; Ferreira, Antonio; Ribeiro, Guilherme A.; Oliveira, Alexandre C.; Cooper, Gregory F.

2015-01-01

Deriving predictive models in medicine typically relies on a population approach where a single model is developed from a dataset of individuals. In this paper we describe and evaluate a personalized approach in which we construct a new type of decision tree model called decision-path model that takes advantage of the particular features of a given person of interest. We introduce three personalized methods that derive personalized decision-path models. We compared the performance of these methods to that of Classification And Regression Tree (CART) that is a population decision tree to predict seven different outcomes in five medical datasets. Two of the three personalized methods performed statistically significantly better on area under the ROC curve (AUC) and Brier skill score compared to CART. The personalized approach of learning decision path models is a new approach for predictive modeling that can perform better than a population approach. PMID:26098570

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.

Crack Path Selection in Thermally Loaded Borosilicate/Steel Bibeam Specimen

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

Grutzik, Scott Joseph; Reedy, Jr., E. D.

Here, we have developed a novel specimen for studying crack paths in glass. Under certain conditions, the specimen reaches a state where the crack must select between multiple paths satisfying the K II = 0 condition. This path selection is a simple but challenging benchmark case for both analytical and numerical methods of predicting crack propagation. We document the development of the specimen, using an uncracked and instrumented test case to study the effect of adhesive choice and validate the accuracy of both a simple beam theory model and a finite element model. In addition, we present preliminary fracture testmore » results and provide a comparison to the path predicted by two numerical methods (mesh restructuring and XFEM). The directional stability of the crack path and differences in kink angle predicted by various crack kinking criteria is analyzed with a finite element model.« less

Crack Path Selection in Thermally Loaded Borosilicate/Steel Bibeam Specimen

DOE PAGES

Grutzik, Scott Joseph; Reedy, Jr., E. D.

2017-08-04

Here, we have developed a novel specimen for studying crack paths in glass. Under certain conditions, the specimen reaches a state where the crack must select between multiple paths satisfying the K II = 0 condition. This path selection is a simple but challenging benchmark case for both analytical and numerical methods of predicting crack propagation. We document the development of the specimen, using an uncracked and instrumented test case to study the effect of adhesive choice and validate the accuracy of both a simple beam theory model and a finite element model. In addition, we present preliminary fracture testmore » results and provide a comparison to the path predicted by two numerical methods (mesh restructuring and XFEM). The directional stability of the crack path and differences in kink angle predicted by various crack kinking criteria is analyzed with a finite element model.« less

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.

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.

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

Fuel processing in integrated micro-structured heat-exchanger reactors

NASA Astrophysics Data System (ADS)

Kolb, G.; Schürer, J.; Tiemann, D.; Wichert, M.; Zapf, R.; Hessel, V.; Löwe, H.

Micro-structured fuel processors are under development at IMM for different fuels such as methanol, ethanol, propane/butane (LPG), gasoline and diesel. The target application are mobile, portable and small scale stationary auxiliary power units (APU) based upon fuel cell technology. The key feature of the systems is an integrated plate heat-exchanger technology which allows for the thermal integration of several functions in a single device. Steam reforming may be coupled with catalytic combustion in separate flow paths of a heat-exchanger. Reactors and complete fuel processors are tested up to the size range of 5 kW power output of a corresponding fuel cell. On top of reactor and system prototyping and testing, catalyst coatings are under development at IMM for numerous reactions such as steam reforming of LPG, ethanol and methanol, catalytic combustion of LPG and methanol, and for CO clean-up reactions, namely water-gas shift, methanation and the preferential oxidation of carbon monoxide. These catalysts are investigated in specially developed testing reactors. In selected cases 1000 h stability testing is performed on catalyst coatings at weight hourly space velocities, which are sufficiently high to meet the demands of future fuel processing reactors.

The effect of microstructure and strength on the fracture toughness of an 18 Ni, 300 grade maraging steel

NASA Technical Reports Server (NTRS)

Psioda, J. A.; Low, J. R., Jr.

1977-01-01

Fractography and metallographic sectioning were used to investigate the influence of microstructure and strength on the fracture toughness (KIc) and fracture mechanism of an 18 Ni, 300 grade maraging steel. Increased yield strength from 1442 to 2070 MN/m squared through precipitation hardening results in a KIc loss from 143 to 55 MN/m superscript 3/2. Ti (C,N) Ti2S, and TiC inclusions in sizes from 1 to 8, 1 to 15, and 0.1 to 2 microns respectively serve as sites for void nucleation and lead to fracture by the dimpled rupture process in all strength levels considered. TiC nucleated dimples occupy more than half the fracture in all conditions. Void nucleation rate and resultant number of dimples per unit area of fracture increase with increasing yield strength. Average dimple size decreases with increasing strength and/or overaging which follows from the decreasing amount of stable void growth measured by sectioning tensile specimens. Void growth is assisted by crack branching along a path of TiC inclusions. Coalescence occurs in the highest strength materials by a combination of TiC void nucleation and premature separation at strengthening precipitates.

Adapalene microemulsion for transfollicular drug delivery.

PubMed

Bhatia, Gaurav; Zhou, Yingcong; Banga, Ajay K

2013-08-01

The aim of this study was to develop a microemulsion formulation of adapalene for transfollicular delivery. A pseudoternary phase diagram was developed for microemulsion consisting of oleic acid as oil phase, tween 20 as surfactant, Transcutol® as cosurfactant, and deionized water. Differential tape stripping and confocal laser scanning microscopy were performed to determine the penetration of microemulsion through hair follicles. Transmission electron microscopy, dynamic light scattering, polarizing light microscopy, and differential scanning calorimetry were performed to characterize the microstructures of microemulsion. The pH and viscosity of the microemulsions were also determined. Permeation studies were carried out in vitro on porcine ear skin over a period of 24 h using Franz diffusion cells. The drug penetration in the hair follicles increased from 0.109 ± 0.03 to 0.292 ± 0.094 μg, as the microstructure of microemulsion shifted from oil-in-water to bi-continuous, with increase in water content of microemulsion. Confocal laser scanning microscopy images suggested that hair follicles provided the path for transfollicular permeation of adapalene microemulsion. These results suggest that microemulsion penetrated through hair follicles and are promising for transfollicular drug delivery. Copyright © 2013 Wiley Periodicals, Inc.

Monotropic polymorphism in a glass-forming metallic alloy

NASA Astrophysics Data System (ADS)

Pogatscher, S.; Leutenegger, D.; Schawe, J. E. K.; Maris, P.; Schäublin, R.; Uggowitzer, P. J.; Löffler, J. F.

2018-06-01

This study investigates the crystallization and phase transition behavior of the amorphous metallic alloy Au70Cu5.5Ag7.5Si17. This alloy has been recently shown to exhibit a transition of a metastable to a more stable crystalline state, occurring via metastable melting under strong non-equilibrium conditions. Such behavior had so far not been observed in other metallic alloys. In this investigation fast differential scanning calorimetry (FDSC) is used to explore crystallization and the solid–liquid–solid transition upon linear heating and during isothermal annealing, as a function of the conditions under which the metastable phase is formed. It is shown that the occurrence of the solid–liquid–solid transformation in FDSC depends on the initial conditions; this is explained by a history-dependent nucleation of the stable crystalline phase. The microstructure was investigated by scanning and transmission electron microscopy and x-ray diffraction. Chemical mapping was performed by energy dispersive x-ray spectrometry. The relationship between the microstructure and the phase transitions observed in FSDC is discussed with respect to the possible kinetic paths of the solid–liquid–solid transition, which is a typical phenomenon in monotropic polymorphism.

Transformation twinning of Ni-Mn-Ga characterized with temperature-controlled atomic force microscopy.

PubMed

Reinhold, Matthew; Watson, Chad; Knowlton, William B; Müllner, Peter

2010-06-01

The magnetomechanical properties of ferromagnetic shape memory alloy Ni-Mn-Ga single crystals depend strongly on the twin microstructure, which can be modified through thermomagnetomechanical training. Atomic force microscopy (AFM) and magnetic force microscopy (MFM) were used to characterize the evolution of twin microstructures during thermomechanical training of a Ni-Mn-Ga single crystal. Experiments were performed in the martensite phase at 25 degrees C and in the austenite phase at 55 degrees C. Two distinct twinning surface reliefs were observed at room temperature. At elevated temperature (55 degrees C), the surface relief of one twinning mode disappeared while the other relief remained unchanged. When cooled back to 25 degrees C, the twin surface relief recovered. The relief persisting at elevated temperature specifies the positions of twin boundaries that were present when the sample was polished prior to surface characterization. AFM and MFM following thermomechanical treatment provide a nondestructive method to identify the crystallographic orientation of each twin and of each twin boundary plane. Temperature dependent AFM and MFM experiments reveal the twinning history thereby establishing the technique as a unique predictive tool for revealing the path of the martensitic and reverse transformations of magnetic shape memory alloys.

Transformation twinning of Ni–Mn–Ga characterized with temperature-controlled atomic force microscopy

PubMed Central

Reinhold, Matthew; Watson, Chad; Knowlton, William B.; Müllner, Peter

2010-01-01

The magnetomechanical properties of ferromagnetic shape memory alloy Ni–Mn–Ga single crystals depend strongly on the twin microstructure, which can be modified through thermomagnetomechanical training. Atomic force microscopy (AFM) and magnetic force microscopy (MFM) were used to characterize the evolution of twin microstructures during thermomechanical training of a Ni–Mn–Ga single crystal. Experiments were performed in the martensite phase at 25 °C and in the austenite phase at 55 °C. Two distinct twinning surface reliefs were observed at room temperature. At elevated temperature (55 °C), the surface relief of one twinning mode disappeared while the other relief remained unchanged. When cooled back to 25 °C, the twin surface relief recovered. The relief persisting at elevated temperature specifies the positions of twin boundaries that were present when the sample was polished prior to surface characterization. AFM and MFM following thermomechanical treatment provide a nondestructive method to identify the crystallographic orientation of each twin and of each twin boundary plane. Temperature dependent AFM and MFM experiments reveal the twinning history thereby establishing the technique as a unique predictive tool for revealing the path of the martensitic and reverse transformations of magnetic shape memory alloys. PMID:20589105

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

Nb-Based Nb-Al-Fe Alloys: Solidification Behavior and High-Temperature Phase Equilibria

NASA Astrophysics Data System (ADS)

Stein, Frank; Philips, Noah

2018-03-01

High-melting Nb-based alloys hold significant promise for the development of novel high-temperature materials for structural applications. In order to understand the effect of alloying elements Al and Fe, the Nb-rich part of the ternary Nb-Al-Fe system was investigated. A series of Nb-rich ternary alloys were synthesized from high-purity Nb, Al, and Fe metals by arc melting. Solidification paths were identified and the liquidus surface of the Nb corner of the ternary system was established by analysis of the as-melted microstructures and thermal analysis. Complementary analysis of heat-treated samples yielded isothermal sections at 1723 K and 1873 K (1450 °C and 1600 °C).

State Paths of Clay Dominated Soils of Coastal Marshland: Scale Effect and Hydrodynamic Behaviour

NASA Astrophysics Data System (ADS)

Tojo Radimy, Raymond; Dudoignon, Patrick

2017-12-01

The paper is focused on clayey dominated sediments of coastal marshes of the West Atlantic coast of France because of their homogeneity in texture and mineralogy, and their vertical structure evolution from dried and solid state in surface down to saturated plastic-to-liquid state in depth. It proposes a “review” of the complementary petrographic and hydromechanical data obtained on theses clay dominated soils and a method of calculation for the relationships prevailing between the hydro-mechanical properties and microstructure behaviour of the clay matrices. This tool, based on the shrinkage curve of the clay matrix is applied as aid to the hydraulic management of marshlands regarding the soil-plant interactions.

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

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

Relationships between attitudes toward and achievement in science for rural middle school students: Patterns across gender

NASA Astrophysics Data System (ADS)

Mattern, Nancy Page Garland

Four causal models describing the relationships between attitudes and achievement have been proposed in the literature. The cross-effects, or reciprocal effects, model highlights the effects of prior attitudes on later achievement (over and above the effect of previous achievement) and of prior achievement on later attitudes (above the effect of previous attitudes). In the achievement predominant model, the effect of prior achievement on later attitudes is emphasized, controlling for the effect of previous attitudes. The effect of prior attitudes on later achievement, controlling for the effect of previous achievement, is emphasized in the attitudes predominant model. In the no cross-effects model there are no significant cross paths from prior attitudes to later achievement or from prior achievement to later attitudes. To determine the best-fitting model for rural seventh and eighth grade science girls and boys, the causal relationships over time between attitudes toward science and achievement in science were examined by gender using structural equation modeling. Data were collected in two waves, over one school year. A baseline measurement model was estimated in simultaneous two-group solutions and was a good fit to the data. Next, the four structural models were estimated and model fits compared. The three models nested within the structural cross-effects model showed significant decay of fit when compared to the fit of the cross-effects model. The cross-effects model was the best fit overall for middle school girls and boys. The cross-effects model was then tested for invariance across gender. There was significant decay of fit when model form, factor path loadings, and structural paths were constrained to be equal for girls and boys. Two structural paths, the path from prior achievement to later attitudes, and the path from prior attitudes to later attitudes, were the sources of gender non-invariance. Separate models were estimated for girls and boys, and the fits of nested models were compared. The no cross-effects model was the best-fitting model for rural middle school girls. The new no attitudes-path model was the best-fitting model for boys. Implications of these findings for teaching middle school students were discussed.

Microstructural evidence of melting in crustal rocks (Invited)

NASA Astrophysics Data System (ADS)

Holness, M. B.; Cesare, B.; Sawyer, E. W.

2010-12-01

The signature of the former presence of melt on a microscopic scale is highly variable, subject to modification both during the melting event and during its subsequent history. Static pyrometamorphism results in melt films on grain boundaries between reactant phases. If a volume increase is involved, melting results in hydrofracture. On a longer timescale, as demonstrated by fragments of the crustal source in lava flows at El Hoyazo (SE Spain), melt occurs throughout the rock. These examples are highly unusual: the great majority of rocks that underwent melting cooled more slowly, permitting microstructural modification driven by a combination of textural equilibration, reaction and deformation. In the absence of deformation, and at constant temperature, melt-bearing rocks approach textural equilibrium, characterised by uniform grain size, smoothly curved grain boundaries and the establishment at all three-grain junctions of the equilibrium dihedral angle. The dihedral angle controls melt connectivity, with consequences for melt mobility and rock rheology. However, deformation is the rule rather than the exception in regional metamorphic terrains with profound effects on melt distribution. If deformation occurs predominantly by diffusive processes, textural equilibration can keep pace. At higher deformation rates melt is squeezed into planar pockets aligned parallel to the shearing direction or perpendicular to the extensional stress. Microstructures formed during solidification are controlled by cooling rate, H2O, and the size of the melt pockets. Large pockets solidify to look like igneous rocks. In small pores the supersaturation required for crystal growth is high and melt persist to lower temperatures, even being preserved as tiny glassy inclusions (“nanogranites”) in regional terranes. The pore size effect changes crystallization order, resulting in small, highly cuspate grains on grain boundaries with low dihedral angles. Crystallisation microstructures of poly-component liquids are highly dependent on diffusion rates, and therefore H2O content. Dry conditions result in diffusion-limited crystallisation to form intergrowths and symplectites (e.g. granophyre). The cooling rate must be slow in order to nucleate and grow individual grains from the melt. If the melt was primarily concentrated in thick films on grain boundaries this results in the “string of beads” texture. If there is sufficient water, and the rocks stay sufficiently hot, the microstructures will move towards a granular texture, driven by the reduction in interfacial energy. Highly cuspate pseudomorphs of melt at three-grain junctions will become rounded as the dihedral angle increases (generally towards the range 110-140°). Melt-related microstructures are more likely to be retained in dry rocks: in migmatite terranes in which melting was driven by infiltration of aqueous fluids and where melt extraction wasn’t pervasive, microstructures are likely to have been significantly modified by sub-solidus recrystallisation, especially likely if the rock underwent intense deformation on the retrograde path.

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.

Train repathing in emergencies based on fuzzy linear programming.

PubMed

Meng, Xuelei; Cui, Bingmou

2014-01-01

Train pathing is a typical problem which is to assign the train trips on the sets of rail segments, such as rail tracks and links. This paper focuses on the train pathing problem, determining the paths of the train trips in emergencies. We analyze the influencing factors of train pathing, such as transferring cost, running cost, and social adverse effect cost. With the overall consideration of the segment and station capability constraints, we build the fuzzy linear programming model to solve the train pathing problem. We design the fuzzy membership function to describe the fuzzy coefficients. Furthermore, the contraction-expansion factors are introduced to contract or expand the value ranges of the fuzzy coefficients, coping with the uncertainty of the value range of the fuzzy coefficients. We propose a method based on triangular fuzzy coefficient and transfer the train pathing (fuzzy linear programming model) to a determinate linear model to solve the fuzzy linear programming problem. An emergency is supposed based on the real data of the Beijing-Shanghai Railway. The model in this paper was solved and the computation results prove the availability of the model and efficiency of the algorithm.

Generation of RGB-D data for SLAM using robotic framework V-REP

NASA Astrophysics Data System (ADS)

Gritsenko, Pavel S.; Gritsenko, Igor S.; Seidakhmet, Askar Zh.; Abduraimov, Azizbek E.

2017-09-01

In this article, we will present a methodology to debug RGB-D SLAM systems as well as to generate testing data. We have created a model of a laboratory with an area of 250 m2 (25 × 10) with set of objects of different type. V-REP Microsoft Kinect sensor simulation model was used as a basis for robot vision system. Motion path of the sensor model has multiple loops. We have written a program in V-Rep native language Lua to record data array from the Microsoft Kinect sensor model. The array includes both RGB and Depth streams with full resolution (640 × 480) for every 10 cm of the path. The simulated path has absolute accuracy, since it is a simulation, and is represented by an array of transformation matrices (4 × 4). The length of the data array is 1000 steps or 100 m. The path simulates frequently occurring cases in SLAM, including loops. It is worth noting that the path was modeled for a mobile robot and it is represented by a 2D path parallel to the floor at a height of 40 cm.

A Path Model of School Violence Perpetration: Introducing Online Game Addiction as a New Risk Factor.

PubMed

Kim, Jae Yop; Lee, Jeen Suk; Oh, Sehun

2015-08-10

Drawing on the cognitive information-processing model of aggression and the general aggression model, we explored why adolescents become addicted to online games and how their immersion in online games affects school violence perpetration (SVP). For this purpose, we conducted statistical analyses on 1,775 elementary and middle school students who resided in northern districts of Seoul, South Korea. The results validated the proposed structural equation model and confirmed the statistical significance of the structural paths from the variables; that is, the paths from child abuse and self-esteem to SVP were significant. The levels of self-esteem and child abuse victimization affected SVP, and this effect was mediated by online game addiction (OGA). Furthermore, a multigroup path analysis showed significant gender differences in the path coefficients of the proposed model, indicating that gender exerted differential effects on adolescents' OGA and SVP. Based on these results, prevention and intervention methods to curb violence in schools have been proposed. © The Author(s) 2015.