Phase-field modeling of grain growth in presence of grain boundary diffusion and segregation in ceramic matrix mini-composites

Kundin, Julia; Farhandi, Hedieh; Ganesan, Kamatchi Priya; Almeida, Renato S.M.; Tushtev, Kamen; Rezwan, Kurosch

doi:10.1016/j.commatsci.2021.110295

Cited by 20 publications

(4 citation statements)

References 44 publications

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“…which is equivalent to [9] except for the parametrization of the interface width. [2], but with a few modifications in order to account for the problems observed in [1], which will be detailed in section 2.2.…”

Section: General Pf Model Formulationmentioning

confidence: 99%

An improved grand-potential phase-field model of solid-state sintering for many particles

Seiz

Hierl

Nestler

2023

Modelling Simul. Mater. Sci. Eng.

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Understanding the microstuctural evolution during the sintering process is of high relevance as it is a key part in many industrial manufacturing processes. Simulations are one avenue to achieve this understanding, especially ﬁeld-resolved methods such as the phase-ﬁeld method. Recent papers have shown several weaknesses in the most common phase-ﬁeld model of sintering, which the present paper aims to ameliorate. The observed weaknesses are shortly recounted, followed by presenting model variations aiming to remove these deﬁciencies. The models are tested in the classical two-particle geometry, with the most promising model being run on large-scale three-dimensional packings to determine representative volume elements. A densiﬁcation that is strongly dependent on the packing size is observed, which suggests that the model requires further improvement.

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Section: General Pf Model Formulationmentioning

confidence: 99%

An improved grand-potential phase-field model of solid-state sintering for many particles

Seiz

Hierl

Nestler

2023

Modelling Simul. Mater. Sci. Eng.

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“…The possible phase evolution, based on diffusion interface approach 20,21 and solution mass transport processes, 22,23 was modeled by a phase‐field model. The structure, orientation, and composition of microstructure grains were estimated by reduction in bulk energy, 24 decrease in interfacial energy, 25 and solid‐state phase transformations 26 . These diffusion interface domain interactions can be modeled by continuous variation in chemical profile within a limited zone, 27 the condition of materials flux, 25 and chemical potentials 26 .…”

Section: Introductionmentioning

confidence: 99%

“…The structure, orientation, and composition of microstructure grains were estimated by reduction in bulk energy, 24 decrease in interfacial energy, 25 and solid‐state phase transformations 26 . These diffusion interface domain interactions can be modeled by continuous variation in chemical profile within a limited zone, 27 the condition of materials flux, 25 and chemical potentials 26 . The model can predict solute concentration 28 and equilibrium conditions 29 .…”

Section: Introductionmentioning

confidence: 99%

The diffuse interface phase‐field model for in situ interlayer phase formations in low‐temperature reaction bonding of alumina laminates—A theoretical and experimental comparison

Hosseinabadi

2022

J Am Ceram Soc.

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A diffuse interface phase‐field model is developed to study alumina seamless laminate composites formation via reaction interlayer diffusion bonding. The model was designed to indicate the important role of interface on phase transition and interfacial chemical reactions. The model has indicated the interfacial reactions, phase transitions, and phase evolution along the alumina/reaction layer interface. The theoretical results were assessed, validated, and confirmed by experimental data at similar bonding conditions via targeted diffusion bonding in aluminum‐alkaline earth hydride and alanate interlayer systems Me (Me: Mg–Sr). The alanates and hydrides dissociations left pockets of intermetallic phases at interlayer as bonding constituents. The solid‐state bonds have formed by diffusion bonding at laminate interfaces and partial oxidations. The elemental analysis showed the alkaline earth rich zones at interlayer and near interfaces. The crystalline composition of the interlayer materials was combinations of polycrystalline mixed oxide layers, formed due to different oxidation kinetics and diffusion rates. Interlayer oxidation products were combination of complex oxides with SruMgxAlyOz (u: 0.8–1, x: 0.7–1, y: 2–10, z: 4–17) stoichiometry.

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“…The phase field model has emerged as a powerful tool for numerical prediction of evolution processes in materials. It has been successfully applied to simulate the evolution of microstructures with complex morphologies in a wide variety of material processes such as, grain growth, [10][11][12][13][14][15] martensitic transformation, [16][17][18][19][20][21] solidification, [22][23][24][25][26][27][28] crack propagation problems, [29][30][31][32][33][34] ferrofluids, [35] and so on. The significant characteristic of phase-field methods is the diffuseness of the interface between two phases.…”

Section: Introductionmentioning

confidence: 99%

Revisiting the Dielectric Breakdown in a Polycrystalline Ferroelectric: A Phase‐Field Simulation Study

Khondabi

Ahmadvand

Javanbakht

2022

Advcd Theory and Sims

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To understand the dielectric breakdown in a polycrystalline ferroelectric, a thorough phase field simulation has been performed by introducing a new degradation function. Time and position evolution of breakdown path, electric field dependence of breakdown time, and the effect of several parameters such as grain orientation, dielectric constant of grain and grain‐boundaries (GBs), thickness of GBs (dGB${d}_{\text{GB}}$), and grain size (Gnormala${G}_{\text{a}}$) on the threshold breakdown electric field, EBT${E}_{\text{BT}}$, are investigated. The results indicate that EBT${E}_{\text{BT}}$ is improved with decreasing dielectric constant. The dependence of EBT${E}_{\text{BT}}$ on grain size and GB's thickness obeys a power function Gnormala−n${G}_{\text{a}}^{-n}$ (n=0.42$n=0.42$) and dGBn${d}_{\text{GB}}^{n}$ (n=0.3$n=0.3$), respectively. The results help to engineer the grains and GBs properties and achieve a high breakdown electric field, which is very important in energy‐storage applications.

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Phase-field modeling of grain growth in presence of grain boundary diffusion and segregation in ceramic matrix mini-composites

Cited by 20 publications

References 44 publications

An improved grand-potential phase-field model of solid-state sintering for many particles

An improved grand-potential phase-field model of solid-state sintering for many particles

The diffuse interface phase‐field model for in situ interlayer phase formations in low‐temperature reaction bonding of alumina laminates—A theoretical and experimental comparison

Revisiting the Dielectric Breakdown in a Polycrystalline Ferroelectric: A Phase‐Field Simulation Study

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