Simulation of Microstructural Evolution in Polycrystalline Films

1990 ◽  
Vol 202 ◽  
Author(s):  
H. J. Frost
Keyword(s):  
Free Surface ◽  
Surface Energy ◽  
Film Thickness ◽  
Grain Boundaries ◽  
Grain Growth ◽  
Driving Force ◽  
Three Dimensional ◽  
Grain Structure ◽  
Two Dimensional ◽  
Free Surfaces

ABSTRACTThis paper will review the topic of computer simulation of the evolution of grain structure in polycrystalline thin films, with particular attention to the modelling of the grain growth process. If the grain size is small compared to the film thickness, then the grain structure is three-dimensional. As the grains grow to become larger than the film thickness, so that most grains traverse the entire thickness of the film, the microstructure may approach the conditions for a two-dimensional grain structure. Both two- and three-dimensional grain growth have been simulated by various authors.When the grains become large enough for the microstructure to be two-dimensional, the surface energy associated with the two free surfaces of the film becomes comparable to the surface energy of the grain boundaries. In this condition, the free surface may profoundly effect the grain growth. One effect is that grooves may develop along the lines where the grain boundaries meet the free surfaces. This grooving may pin the boundaries against further migration and lead to grain-growth stagnation. Another possible effect is that differences in the free surface energy for grains with different crystallographic orientation may provide a driving force for the migration of the boundaries which is additional to that provided by grain boundary capillarity. Grains with favorable orientations will grow at the expense of grains with unfavorable orientations. The coupling of grain-growth stagnation with an additional driving force can produce abnormal or secondary grain growth in which a few grains grow very large by consuming the normal grains.

scholarly journals MESOSCALE DEFORMATION-INDUCED SURFACE PHENOMENA IN LOADED POLYCRYSTALS

2021 ◽  
Vol 19 (2) ◽  
pp. 187
Author(s):  
Varvara Romanova ◽  
Ruslan Balokhonov ◽  
Olga Zinovieva
Keyword(s):  
Free Surface ◽  
Plastic Strain ◽  
Grain Boundaries ◽  
Uniaxial Tension ◽  
Three Dimensional ◽  
Grain Structure ◽  
Surface Roughening ◽  
Surface Phenomena ◽  
Stress Concentrations

The paper reviews the results of numerical analyses for the micro-and mesoscale deformation-induced surface phenomena in three-dimensional polycrystals with the explicit account for the grain structure. The role of the free surface and grain boundaries in the appearance of the grain-scale stress concentrations and plastic strain nucleation is illustrated on the examples of aluminum polycrystals. Special attention is paid to the discussion of mesoscale deformation-induced surface roughening under uniaxial tension.

Control of Grain Boundary Microstructures in Liquid-Phase Sintered Alumina

1999 ◽  
Vol 586 ◽  
Author(s):  
N. Ravishankar ◽  
C. Barry Carter
Keyword(s):  
Free Surface ◽  
Liquid Phase ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
High Temperatures ◽  
Driving Force ◽  
Free Surfaces ◽  
Surface Energies ◽  
The Difference ◽  
Sintered Materials

ABSTRACTThe elimination of the grain boundary liquid in liquid-phase sintered materials is examined for the case of anorthite liquid in alumina grain boundaries. It is shown that under suitable conditions the liquid can exude from the grain boundary to the free surface. The proposed driving force is provided by the difference in energies and wetting behavior of the grain boundary and the free surface at high temperatures. The results emphasize the importance of the crystallography of the boundary and the nature of free surfaces (i.e., the surface energies) on the exudation behavior.

The nucleation of cavities at grain boundaries

1987 ◽  
Vol 45 ◽  
pp. 288-291
Author(s):  
P. J. Goodhew
Keyword(s):  
Surface Tension ◽  
Surface Energy ◽  
Grain Boundaries ◽  
Radiation Damage ◽  
Impurity Concentration ◽  
Driving Force ◽  
Nucleation And Growth ◽  
Phase Boundaries ◽  
Cavity Nucleation ◽  
Spherical Bubble

Cavity nucleation and growth at grain and phase boundaries is of concern because it can lead to failure during creep and can lead to embrittlement as a result of radiation damage. Two major types of cavity are usually distinguished: The term bubble is applied to a cavity which contains gas at a pressure which is at least sufficient to support the surface tension (2g/r for a spherical bubble of radius r and surface energy g). The term void is generally applied to any cavity which contains less gas than this, but is not necessarily empty of gas. A void would therefore tend to shrink in the absence of any imposed driving force for growth, whereas a bubble would be stable or would tend to grow. It is widely considered that cavity nucleation always requires the presence of one or more gas atoms. However since it is extremely difficult to prepare experimental materials with a gas impurity concentration lower than their eventual cavity concentration there is little to be gained by debating this point.

Thermocapillary Convection With Undeformable Curved Surfaces in Open Cylinders

2001 ◽  
Author(s):  
Bok-Cheol Sim ◽  
Abdelfattah Zebib
Keyword(s):  
Free Surface ◽  
Critical Frequency ◽  
Thermocapillary Convection ◽  
Three Dimensional ◽  
Quantitative Agreement ◽  
Fluid Volume ◽  
Uniform Heat Flux ◽  
Free Surfaces ◽  
Space Experiments ◽  
Steady Convection

Abstract Thermocapillary convection driven by a uniform heat flux in an open cylindrical container of unit aspect ratio is investigated by two- and three-dimensional numerical simulations. The undeformable free surface is either flat or curved as determined by the fluid volume (V ≤ 1) and the Young-Laplace equation. Convection is steady and axisymmetric at sufficiently low values of the Reynolds number (Re) with either flat or curved interfaces. Only steady convection is possible in strictly axisymmetric computations. Transition to oscillatory three-dimensional motions occurs as Re increases beyond a critical value dependent on Pr and V. With a flat free surface (V = 1), two-lobed pulsating waves are found on the free surface and prevail with increasing Re. While the critical Re increases with increasing Pr, the critical frequency decreases. In the case of a concave surface, four azimuthal waves are found rotating clockwise on the surface. The critical Re decreases with increasing fluid volume, and the critical frequency is found to increase. The numerical results with either flat or curved free surfaces are in good quantitative agreement with space experiments.

Comparison of Experimental and Computational Aspects of Grain Growth in Al-Foil

2000 ◽  
Vol 652 ◽  
Author(s):  
Melik C. Demirel ◽  
Andrew P. Kuprat ◽  
Denise C. George ◽  
Bassem S. El-Dasher ◽  
Neil N. Carlson ◽  
...  
Keyword(s):  
Grain Boundary ◽  
Grain Growth ◽  
Three Dimensional ◽  
Interface Energy ◽  
Grain Structure ◽  
Electron Backscattered Diffraction ◽  
Boundary Properties ◽  
Ebsd Technique ◽  
Columnar Grain ◽  
Grain Boundary Motion

ABSTRACTGrain boundary and crystallographic orientation information of an Al-foil with a columnar grain structure is characterized by Electron Backscattered Diffraction (EBSD) technique. The starting microstructure and grain boundary properties are implemented as an input for the three- dimensional grain growth simulation. In the computational model, minimization of the interface energy is the driving force for the grain boundary motion. The computed evolved microstructure is compared with the final experimental microstructure, after annealing at 550 °C. Good agreement is observed between the experimentally obtained microstructure and the simulated microstructure. The constitutive description of the grain boundary properties was based on a 1- parameter characterization of the variation in mobility with misorientation angle.

Stress Driven Patterning of Epitaxial Films

1993 ◽  
Vol 318 ◽  
Author(s):  
Michael A. Grinfeld
Keyword(s):  
Surface Energy ◽  
Surface Morphology ◽  
Film Thickness ◽  
Critical Thickness ◽  
Epitaxial Films ◽  
Layer By Layer ◽  
Two Dimensional ◽  
Dimensional Lattice ◽  
One Dimensional ◽  
Periodic Spacing

ABSTRACTWe study possible morphologies of epitaxial films atop attractive substrates appearing as a result of competition of misfit stresses, van der Waals forces and surface energy. Corresponding formula for the critical thickness of the dislocation-free Stranski-Krastanov pattern is established for the isotropic deformable films and substrates. If the film thickness exceeds the critical magnitude the layer-by-layer pattern switches to islanding. At the first stage the islands have a shape of striae (i.e. long parallel trenches with periodic spacing). We discuss also i)the circumstances in which surface morphology of the film corresponds to a two-dimensional superlattice of islands rather than a one dimensional lattice of striae and ii)the influence of a buffer inter-layer.

Multiscale Modeling of Large Deformation Processes in Polycrystalline Metals

2003 ◽  
Author(s):  
Antoinette Maniatty ◽  
Karel Matous ◽  
Jing Lu
Keyword(s):  
Finite Element ◽  
Three Dimensional ◽  
Grain Structure ◽  
Current Work ◽  
Integration Scheme ◽  
Two Dimensional ◽  
Scale Bridging ◽  
Grain Structures ◽  
Backward Euler ◽  
Bulk Response

A mesoscale model for predicting the evolution of the grain structure and the mechanical response of polycrystalline aggregates subject to large deformations, such as arise in bulk metal forming processes, is presented. The gain structures modeled are either experimentally observed or are computer generated and statistically similar to experimentally observed grain structures. In order to capture the inhomogeneous deformations and the resulting grain structure characteristics, a discretized model at the mesoscale is used. This work focuses on Al-Mg-Si alloys. Scale bridging is used to link to the macroscale. Examples involving two-dimensional grain structures and current work on three-dimensional grain structures are presented. The present work provides a framework to model the mesoscopic behavior and interactions between grains during finite strains. The mesoscale is characterized by a statistically representative voluem element (RVE), which contains the grains of a polycrystal. Experimentally observed grain structures are used both as models directly (for two-dimensional cases) and to define statistical characteristics to verify the similarity of computer generated grain structures (for three-dimensional cases). A Monte Carlo method based on the Potts model is used to define three-dimensional grain structures. In order to make the representative grain structure appropriate for scale-bridging, we design them with periodicity. A three-field, updated Lagrangian finite element formulation with a kinematic split of the deformation gradient into volume preserving and volumetric parts is used to create a stable finite element method in the context of nearly incompressible behavior. A fully implicit two-level backward Euler integration scheme is derived for integrating the constitutive equations, and consistent linearization is used in Newton’s method to solve the resulting equations. In addition, the average of the boundary conditions and bulk response must match the macroscopically measured bulk response. To illustrate and verify the proposed model, we analyze examples involving two-dimensional grain structures and compare with results from a Taylor model. Current work on three-dimensional grain structures ara also presented.

On the Hydrodynamic Interaction Between Ship and Free-Surface Motions on Vessels With Moonpools

2019 ◽  
Author(s):  
Senthuran Ravinthrakumar ◽  
Trygve Kristiansen ◽  
Babak Ommani
Keyword(s):  
Free Surface ◽  
Flow Separation ◽  
Coupling Effect ◽  
Three Dimensional ◽  
Dimensional Case ◽  
Navier Stokes ◽  
Linear Potential ◽  
Two Dimensional ◽  
Sloshing Mode ◽  
Vessel Motion

Abstract Coupling between moonpool resonance and vessel motion is investigated in two-dimensional and quasi three-dimensional settings, where the models are studied in forced heave and in freely floating conditions. The two-dimensional setups are with a recess, while the quasi three-dimensional setups are without recess. One configuration with recess is presented for the two-dimensional case, while three different moonpool sizes (without recess) are tested for the quasi three-dimensional setup. A large number of forcing periods, and three wave steepnesses are tested. Boundary Element Method (BEM) and Viscous BEM (VBEM) time-domain codes based on linear potential flow theory, and a Navier–Stokes solver with linear free-surface and body-boundary conditions, are implemented to investigate resonant motion of the free-surface and the model. Damping due to flow separation from the sharp corners of the moonpool inlets is shown to matter for both vessel motions and moonpool response around the piston mode. In general, the CFD simulations compare well with the experimental results. BEM over-predicts the response significantly at resonance. VBEM provides improved results compared to the BEM, but still over-predicts the response. In the two-dimensional study there are significant coupling effects between heave, pitch and moonpool responses. In the quasi three-dimensional tests, the coupling effect is reduced significantly as the moonpool dimensions relative to the displaced volume of the ship is reduced. The first sloshing mode is investigated in the two-dimensional case. The studies show that damping due to flow separation is dominant. The vessel motions are unaffected by the moonpool response around the first sloshing mode.

scholarly journals Bilge-Keel Influence on Free Decay of Roll Motion of a Realistic Hull1

2017 ◽  
Vol 139 (4) ◽  
Author(s):  
Yichen Jiang ◽  
Ronald W. Yeung
Keyword(s):  
Free Surface ◽  
Fluid Motion ◽  
Three Dimensional ◽  
Vortex Method ◽  
Roll Motion ◽  
Two Dimensional ◽  
Desktop Computer ◽  
Roll Damping ◽  
Discrete Vortex ◽  
Bilge Keel

The prediction of roll motion of a ship with bilge keels is particularly difficult because of the nonlinear characteristics of the viscous roll damping. Flow separation and vortex shedding caused by bilge keels significantly affect the roll damping and hence the magnitude of the roll response. To predict the ship motion, the Slender-Ship Free-Surface Random-Vortex Method (SSFSRVM) was employed. It is a fast discrete-vortex free-surface viscous-flow solver developed to run on a standard desktop computer. It features a quasi-three-dimensional formulation that allows the decomposition of the three-dimensional ship-hull problem into a series of two-dimensional computational planes, in which the two-dimensional free-surface Navier–Stokes solver Free-Surface Random-Vortex Method (FSRVM) can be applied. In this paper, the effectiveness of SSFSRVM modeling is examined by comparing the time histories of free roll-decay motion resulting from simulations and from experimental measurements. Furthermore, the detailed two-dimensional vorticity distribution near a bilge keel obtained from the numerical model will also be compared with the existing experimental Digital Particle Image Velocimetry (DPIV) images. Next, we will report, based on the time-domain simulation of the coupled hull and fluid motion, how the roll-decay coefficients and the flow field are altered by the span of the bilge keels. Plots of vorticity contour and vorticity isosurface along the three-dimensional hull will be presented to reveal the motion of fluid particles and vortex filaments near the keels.

Two-dimensional versus three-dimensional post-deposition grain growth in epitaxial oxide thin films

2007 ◽  
Vol 515 (18) ◽  
pp. 7080-7085 ◽  
Author(s):  
R. Bachelet ◽  
A. Boulle ◽  
B. Soulestin ◽  
F. Rossignol ◽  
R. Guinebretière ◽  
...  
Keyword(s):  
Thin Films ◽  
Grain Growth ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Oxide Thin Films ◽  
Epitaxial Oxide ◽  
Post Deposition
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