Computer simulation of grain growth in a bidimensional polycrystal

Soares, Aldina; Ferro, A.C.; Fortes, M. A.

doi:10.1016/0036-9748(85)90157-7

Cited by 77 publications

(26 citation statements)

References 15 publications

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“…There are several alternative simulation methods for grain growth in thin films [55,[83][84][85][86][87][88][89][90][91] that will not be reviewed here. One advantage of simulating grain growth using a front tracking method is that grain boundary motion laws are easily implemented and modified.…”

Section: -Front Tracking Modelmentioning

confidence: 99%

Grain Growth and Texture Evolution in Thin Films

Thompson¹,

Carel²

1996

MSF

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Microstructural and texture evolution during grain growth in polycrystalline thin films was investigated. Grain growth in thin films is a coarsening process driven by the reduction of grain boundary energy, surface energies, and strain energy density. Because crystal properties can be anisotropic, grain growth in thin films is an orientation selective process. Surface and interfacial energy minimization or reduction favors the growth of grains with low combined surface and interfacial free energy. For the films and substrates investigated in this thesis, surface and interfacial energy promotes the growth of (111)-textured grains. Thin films on thick substrates are usually subjected to a non-zero state of strain, arising from differential thermal expansion between the film and the substrate, from densification and from intrinsic strains. For elastically deformed fcc metal films, strain energy density promotes the growth of (001)-textured grains. In plastically deformed films, strain energy density can favor the growth of (011)-textured grains; this results from the orientation dependence of the yield stress of grains in thin films. (111) grains are predicted to maximize the yield stress, and (011) grains are predicted to have low yield stress. An analytic model for texture evolution during grain growth in thin films can be developed by equating the magnitudes of the orientation-dependent driving forces, for pairs of orientations. The analytic model can be used to generate texture maps that define which orientations are expected to grow preferentially as a function of the processing conditions, i.e., the deposition temperature, the grain growth temperature, and the film thickness. Experimental texture maps can be generated and used to test the validity of the analytic model.Computer simulations of grain growth have been carried out using a front-tracking simulation method. Interfacial energy, elastic and plastic strain energy density, and grain growth stagnation are accounted for in the simulations. Materials parameters characteristic of Ag/(001)Ni were used. The main result of the simulations is to validate the analytic model for texture evolution during grain growth. The computer simulations also provide insights into the coupling between yielding and grain growth.Grain growth experiments in Ag/(001)Ni/(001)Ag/(001)MgO, Ag/SiO2/MgO, Ag/SiO 2 /Si, Ni/SiO 2 /Si, and Al/SiO 2 /Si were carried out. Both the thickness and the thermal strain were systematically varied, and an experimental texture map was constructed for each system. The dependence of texture evolution on strain and thickness was found to be consistent with the trends predicted by the analytic model in all of these systems. While the texture map for Ag/(001)Ni was found in quantitative agreement with the model, with no adjustable parameters, no single set of fitting parameters was found for Ag/SiO 2 /Si and for Ag/SiO 2 fMgO. Possible origins of this discrepancy are discussed.Additional experiments are proposed that could provide a better under...

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Section: -Front Tracking Modelmentioning

confidence: 99%

Grain Growth and Texture Evolution in Thin Films

Thompson¹,

Carel²

1996

MSF

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“…Vertex, or front tracking, models for simulation of grain growth have been established by a number of authors, e.g., in [121][122][123][124][125][126]. In most models, a two-dimensional grain structure is considered and its geometry is represented by line segments-the grain boundaries-connected at nodes or vertices which are positioned at triple (in 2D) or quadruple (in 3D) junctions and possibly also at intermediate positions along the grain boundary, cf.…”

Section: Vertex Modelsmentioning

confidence: 99%

Approaches to Modeling of Recrystallization

Hallberg

2011

Metals

153

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Control of the material microstructure in terms of the grain size is a key component in tailoring material properties of metals and alloys and in creating functionally graded materials. To exert this control, reliable and efficient modeling and simulation of the recrystallization process whereby the grain size evolves is vital. The present contribution is a review paper, summarizing the current status of various approaches to modeling grain refinement due to recrystallization. The underlying mechanisms of recrystallization are briefly recollected and different simulation methods are discussed. Analytical and empirical models, continuum mechanical models and discrete methods as well as phase field, vertex and level set models of recrystallization will be considered. Such numerical methods have been reviewed previously, but with the present focus on recrystallization modeling and with a rapidly increasing amount of related publications, an updated review is called for. Advantages and disadvantages of the different methods are discussed in terms of applicability, underlying assumptions, physical relevance, implementation issues and computational efficiency.

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“…Also, models that describe grain growth such as the stochastic method (Monte Carlo method) 4) and topological network models, which includes the phase field method, 5) front tracking model 6,7) and vertex model, [8][9][10][11] have already been developed. These models are superior in that they take the crystal orientation of each grain into consideration and describe grain growth under specified conditions.…”

Section: Introductionmentioning

confidence: 99%

“…In the case of the initial vertex model, the grain boundary is always approximated to a straight line. 8,9) Since the grain boundary is normally not a straight line, approximation as a straight line is a drawback. In the initial vertex model, virtual vertices are positioned along the grain boundary, which improves the model 10,11) by employing multi-vertices, and the grain boundary is approximated by broken lines.…”

Section: Introductionmentioning

confidence: 99%

Proposal of Grain Growth Model Based on Two-dimensional Local Curvature Multi-vertex Model in the Presence of Pinning Particles

2016

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A grain growth model based on a two-dimensional local curvature multi-vertex model in the presence of pinning particles was developed. This model is a physical model which pursues the minimum total grain boundary energy as the evaluation function, where the unpinning conditions are as follows. The first unpinning condition is that the total energy of the unpinned grain boundary is smaller than the total energy of the pinned grain boundary. The second unpinning condition is that the energy of the grain boundary necessary to surpass the energy barrier is assumed to be smaller than the jumping energy, which is presumably assisted by thermal lattice vibration. Using only the first condition, the Zener pinning effect caused by the finely dispersed particles during normal grain growth was reproduced. With the second condition, the selective abnormal grain growth was reproduced when the abnormally grown grain was surrounded by the grains with low-energy grain boundaries.

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Computer simulation of grain growth in a bidimensional polycrystal

Cited by 77 publications

References 15 publications

Grain Growth and Texture Evolution in Thin Films

Grain Growth and Texture Evolution in Thin Films

Approaches to Modeling of Recrystallization

Proposal of Grain Growth Model Based on Two-dimensional Local Curvature Multi-vertex Model in the Presence of Pinning Particles

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