Development of a grain boundary pinning model that considers particle size distribution using the phase field method

The phase-field model based on the Cahn-Hilliard equation is employed to simulate lithium intercalation dynamics in a cathode with particles of distributed size. We start with a simplified phase-field model for a single submicron particle under galvanostatic condition. We observe two stages associated with single-phase and double-phase patterns typical for both charging and discharging processes. The single-phase stage takes approximately 10–15% of the process and plays an important role in the intercalation dynamics. We establish the laws for speed of front propagation and evolution of single-phase concentration valid for different sizes of electrode particles and a wide range of temperatures and C-rates. The universality of these laws allows us to formulate the boundary condition with time-dependent flux density for the Cahn-Hilliard equation and analyze the phase-field intercalation in a heterogeneous cathode characterized by the particle size distribution.

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Effect of Grain Boundary Energy in Recrystallization Simulation by Phase Field Method

Materials Science Forum ◽

10.4028/www.scientific.net/msf.993.953 ◽

2020 ◽

Vol 993 ◽

pp. 953-958

Author(s):

Yan Wu ◽

Ren Chuang Yan ◽

Er Wei Qin ◽

Wei Dong Chen

Keyword(s):

Grain Size ◽

Grain Boundary ◽

Grain Growth ◽

Phase Field ◽

Boundary Energy ◽

Phase Field Model ◽

Field Method ◽

Phase Field Method ◽

Grain Boundary Energy ◽

Average Grain Size

In this paper, the effect of grain boundary energy in AZ31 Mg alloy with multi-order parameters phenomenological phase field model has been discussed during the progress of recrystallization. The average grain size of the recrystallization grain at a certain temperature and a certain restored energy but various grain boundary energies have been studied, and the simulated results show that the larger the grain boundary energy is, the larger the average grain size will be, and the speed of grain growth will increase with the increase of grain boundary energy. Additionally, temperature will also increase the grain growth rate.

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Quantitative evaluation of particle pinning force on a grain boundary using the phase-field method

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/20/5/055004 ◽

2012 ◽

Vol 20 (5) ◽

pp. 055004 ◽

Cited By ~ 20

Author(s):

Kunok Chang ◽

Long-Qing Chen

Keyword(s):

Grain Boundary ◽

Quantitative Evaluation ◽

Phase Field ◽

Field Method ◽

Phase Field Method ◽

Pinning Force

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Effect of initial particle size distribution on the dynamics of transient Ostwald ripening: A phase field study

Acta Materialia ◽

10.1016/j.actamat.2015.02.030 ◽

2015 ◽

Vol 90 ◽

pp. 10-26 ◽

Cited By ~ 27

Author(s):

Junjie Li ◽

Chunwen Guo ◽

Yuan Ma ◽

Zhijun Wang ◽

Jincheng Wang

Keyword(s):

Particle Size ◽

Particle Size Distribution ◽

Field Study ◽

Size Distribution ◽

Phase Field ◽

Ostwald Ripening ◽

Initial Particle ◽

Initial Particle Size

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Simulation of Bridgman Directional Solidification Microstructure Using Phase Field Method

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.652-654.2437 ◽

2013 ◽

Vol 652-654 ◽

pp. 2437-2440

Author(s):

Chunhua Tang ◽

Jin Jun Tang ◽

Cui Liang

Keyword(s):

Grain Boundary ◽

Directional Solidification ◽

Phase Field ◽

Field Method ◽

Planar Interface ◽

Solidification Microstructure ◽

Phase Field Method ◽

Initial Stage ◽

Last Stage ◽

Pulling Velocity

In this paper, the directional solidification microstructure of Bridgman system was simulated using phase-field method, and different calculated results were obtained with four pulling velocities. When the pulling velocity is 0.06 cm/s, the columnar crystals competitively grow in the initial stage, and have a necking phenomenon in the last stage. When the pulling velocity is 0.04 cm/s, the columnar crystals become thinner and competitively grow all the time, and the microsegregation is bigger. When the pulling velocity is 1.00 cm/s, planar interface comes back, and solute trapping takes place. The columnar crystals become much thinner, and microsegregation decreases. When the pulling velocity is 3.00 cm/s, the grain boundary of columnar crystals becomes unconspicuous, and the degree of microsegregation approaches 1.

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