Simulations of Anisotropic Grain Growth Involving Two-Phase Nanocrystalline/Amorphous Systems Using Q-State Monte Carlo

2014 ◽  
Vol 136 (3) ◽  
Author(s):  
J. B. Allen
Keyword(s):  
Monte Carlo ◽  
Grain Boundary ◽  
Grain Growth ◽  
Amorphous Phase ◽  
Volume Fraction ◽  
Critical Role ◽  
Boundary Surface ◽  
Binding Energies ◽  
Two Phase ◽  
Amorphous Systems

The present work incorporates an implementation of the two dimensional, Q-state Monte Carlo method to evaluate anisotropic grain growth in two-phase nanocrystalline/amorphous systems. Specifically, anisotropic grain boundaries are simulated via the use of surface energies and binding energies; the former attributable to the variation in grain orientation and assigned through a mapping process involving Wulff plots. The secondary, amorphous phase is randomly assigned to the lattice in accordance with a specified initial volume fraction. Among other findings, the results reveal that the grain boundary surface energy, as governed by the shape of the Wulff plot, plays a critical role in the resulting microstructure. Additionally, it was found that the addition of a secondary amorphous phase to an existing anisotropic grain boundary system evolves into primary grain microstructures characteristic of single phase isotropic systems.

3D MС Simulation of Grain Growth Kinetics and the Zener Limit in Polycrystals

2014 ◽  
Vol 598 ◽  
pp. 8-12
Author(s):  
K.R. Phaneesh ◽  
Anirudh Bhat ◽  
Gautam Mukherjee ◽  
Kishore T. Kashyap
Keyword(s):  
Monte Carlo ◽  
Grain Growth ◽  
Growth Kinetics ◽  
Large Scale ◽  
Volume Fraction ◽  
Growth Exponent ◽  
Cube Root ◽  
Second Phase ◽  
Two Phase ◽  
Second Phase Particles

Large scale Potts model Monte Carlo simulation was carried on 3-dimensional square lattices of 1003 and 2003 sizes using the Metropolis algorithm to study grain growth behavior. Simulations were carried out to investigate both growth kinetics as well as the Zener limit in two-phase polycrystals inhibited in growth by second phase particles of single-voxel size. Initially the matrices were run to 10,000 Monte Carlo steps (MCS) to check the growth kinetics in both single phase and two-phase poly-crystals. Grain growth exponent values obtained as a result have shown to be highest (~ 0.4) for mono-phase materials while the value decreases with addition of second phase particles. Subsequently the matrices were run to stagnation in the presence of second phase particles of volume fractions ranging from 0.001to 0.1. Results obtained have shown a cube root dependence of the limiting grain size over the particle volume fraction thus reinforcing earlier 3D simulation efforts. It was observed that there was not much difference in the values of either growth kinetics or the Zener limit between 1003 and 2003 sized matrices, although the results improved mildly with size.

Simulations of Anisotropic Grain Growth Subject to Thermal Gradients Using Q-State Monte Carlo

2013 ◽  
Vol 135 (4) ◽  
Author(s):  
J. B. Allen ◽  
C. F. Cornwell ◽  
B. D. Devine ◽  
C. R. Welch
Keyword(s):  
Monte Carlo ◽  
Grain Boundary ◽  
Grain Growth ◽  
Single Phase ◽  
Boundary Surface ◽  
Normal Growth ◽  
Thermal Gradients ◽  
Surface Energies ◽  
Generalized Heat Equation ◽  
Mobility Coefficient

The Q-state Monte Carlo, Potts model is used to investigate 2D, anisotropic, grain growth of single-phase materials subject to temperature gradients. Anisotropy is simulated via the use of nonuniform grain boundary surface energies, and thermal gradients are simulated through the use of variable grain boundary mobilities. Hexagonal grain elements are employed, and elliptical Wulff plots are used to assign surface energies to grain lattices. The mobility is set to vary in accordance with solutions to a generalized heat equation and is solved for two separate values of the mobility coefficient. Among other findings, the results reveal that like isotropic grain growth, under the influence of a thermal gradient, anisotropic grain growth also demonstrates locally normal growth kinetics.

Monte-Carlo Simulation of Goss Abnormal Grain Growth in Fe-3%Si Steel by Sub-Boundary Enhanced Solid-State Wetting

2012 ◽  
Vol 715-716 ◽  
pp. 146-151
Author(s):  
K.J. Ko ◽  
A.D. Rollett ◽  
N.M. Hwang
Keyword(s):  
Monte Carlo ◽  
Solid State ◽  
Grain Boundary ◽  
Grain Growth ◽  
Boundary Energy ◽  
Three Dimensional ◽  
Abnormal Grain Growth ◽  
Grain Boundary Energy ◽  
Simulation Based ◽  
Mc Simulation

The selective abnormal grain growth (AGG) of Goss grains in Fe-3%Si steel was investigated using a parallel Monte-Carlo (MC) simulation based on the new concept of sub-boundary enhanced solid-state wetting. Goss grains with low angle sub-boundaries will induce solid-state wetting against matrix grains with a moderate variation in grain boundary energy. Three-dimensional MC simulations of microstructure evolution with textures and grain boundary distributions matched to experimental data is using in this study.

scholarly journals Modified Monte Carlo approach for simulation of grain growth and Ostwald ripening in two-phase Zn–22Al alloy

2020 ◽  
Vol 9 (5) ◽  
pp. 9620-9631
Author(s):  
Hossein Mohammadi ◽  
Ali Reza Eivani ◽  
Seyed Hossein Seyedein ◽  
Manojit Ghosh
Keyword(s):  
Monte Carlo ◽  
Grain Growth ◽  
Ostwald Ripening ◽  
Two Phase ◽  
Monte Carlo Approach

Monte Carlo Simulation of Microstructure and Grain Growth in nc-Ti(N, B)/a-(TiB2, BN) Nanocomposite Films

2006 ◽  
Vol 312 ◽  
pp. 357-362 ◽  
Author(s):  
Yao Gen Shen ◽  
Z.J. Liu ◽  
Y.H. Lu ◽  
Chun Sheng Lu ◽  
Yiu Wing Mai
Keyword(s):  
Monte Carlo ◽  
Grain Growth ◽  
Photoelectron Spectroscopy ◽  
Nanocomposite Films ◽  
Two Phase ◽  
Unbalanced Magnetron Sputtering ◽  
Transmission Electron ◽  
Unbalanced Magnetron ◽  
Mean Grain Size ◽  
Good Agreement

A combination of high-resolution transmission electron microscopy and x-ray photoelectron spectroscopy are used to establish that Ti-B-N films with different boron concentrations prepared by reactive unbalanced magnetron sputtering exhibit a two-phase nanocomposite microstructure, showing nanocrystalline Ti(N, B) grains embedded in amorphous (TiB2, BN) matrices. Using Monte Carlo simulations and based on a simple model employing a kinetic grain growth theory, we also investigate the effects of the amorphous TiB2-BN phase on the microstructure evolution and grain growth in nanocrystalline-Ti(N, B). Our study demonstrates that the formation of such an amorphous phase at the grain boundary could hinder the growth of Ti(N, B) grains and the mean grain size shows an exponential decay with boron concentration, in good agreement with our experimental observations.

Annealing Textures of Thin Films and Copper Interconnects

2005 ◽  
Vol 475-479 ◽  
pp. 1-8 ◽  
Author(s):  
Dong Nyung Lee
Keyword(s):  
Thin Films ◽  
Grain Boundary ◽  
Grain Growth ◽  
Fiber Type ◽  
Boundary Energy ◽  
Boundary Surface ◽  
Strain Energy Release ◽  
Abnormal Grain Growth ◽  
Copper Interconnects ◽  
Geometric Constraints

Vapor-, electro-, and electroless-deposits have usually strong fiber textures. When annealed, the deposits undergo recrystallization or abnormal grain growth to reduce their energy stored during deposition. The driving force for recrystallization is mainly caused by dislocations, whereas that for abnormal grain growth is due to the grain boundary, surface, interface, and strain energies. During recrystallization and abnormal grain growth, the texture change can take place. The recrystallization and abnormal grain growth textures are in general of fiber type. However, copper interconnects are subjected to non-planar stress state due to geometric constraints during room temperature and/or elevated temperature annealing. The annealing textures of the thin films and copper interconnects are discussed in terms of the minimization of the surface, interface, and strain energies, the grain boundary energy and mobility, and the strain-energy-release maximization.

Texture and Grain Boundary Character Distribution during Equal Channel Angular Extrusion of some Two-Phase Copper Alloys

2008 ◽  
Vol 584-586 ◽  
pp. 585-590 ◽  
Author(s):  
Satyam Suwas ◽  
Somjeet Biswas ◽  
Satyaveer Singh Dhinwal ◽  
Kamanio Chattopadhyay
Keyword(s):  
Grain Boundary ◽  
Equal Channel Angular Extrusion ◽  
Volume Fraction ◽  
Grain Boundary Character Distribution ◽  
Two Phase ◽  
Boundary Character ◽  
Grain Boundary Character ◽  
Character Distribution ◽  
Angular Extrusion ◽  
Boundary Character Distribution

In the present work, a thorough investigation of evolution of microstructure and texture has been carried out to elucidate the evolution of texture and grain boundary character distribution (GBCD) during Equal Channel Angular Extrusion (ECAE) of some model two-phase materials, namely Cu-0.3Cr and Cu-40Zn. Texture of Cu-0.3Cr alloy is similar to that reported for pure copper. On the other hand, in Cu-40Zn alloy, texture evolution in α and β (B2) phases are interdependent. In Cu-0.3Cr alloy, there is a considerable decreases in volume fraction of low angle boundaries (LAGBs), only a slight increase in CSL boundaries, but increase in high angle grain boundaries (HAGBs) from 1 pass to 4 passes for both the routes. In the case of Cu-40Zn alloy, there is an appreciable increase in CSL volume fraction.

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