Simulation of sintering kinetics and microstructure evolution of composite solid oxide fuel cells electrodes

Zhang, Yanxiang; Xia, Changrong; Ni, Meng

doi:10.1016/j.ijhydene.2011.11.020

Cited by 77 publications

(77 citation statements)

References 45 publications

(58 reference statements)

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“…33,55,103,104 The purpose for this process is to directly evaluate the effect of specific microstructural variations such as porosity, pore size distribution, shape or packing orientation of particles on mass transport.…”

Section: μMmentioning

confidence: 99%

Tortuosity in electrochemical devices: a review of calculation approaches

Tjaden

Brett

Shearing

2016

International Materials Reviews

200

188

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The tortuosity of a structure plays a vital role in the transport of mass and charge in electrochemical devices. Concentration polarisation losses at high current densities are caused by mass transport limitations and are thus a function of microstructural characteristics. As tortuosity is notoriously difficult to ascertain, a wide and diverse range of methods has been developed to extract the tortuosity of a structure. These methods differ significantly in terms of calculation approach and data preparation techniques. Here, we review tortuosity calculation procedures applied in the field of electrochemical devices to better understand the resulting values presented in the literature. Visible differences between calculation methods are observed, especially when using porosity-tortuosity relationships and when comparing geometric and flux based tortuosity calculation approaches.

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Section: μMmentioning

confidence: 99%

Tortuosity in electrochemical devices: a review of calculation approaches

Tjaden

Brett

Shearing

2016

International Materials Reviews

200

188

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“…A popular form of surface/interface energy is given as follows [41]: where O is the total number of pixels included in the system, P is the number of nearest and next-nearest neighbor, . HJ is the distance between two pixels, E)G H I G J -is kronecker delta to exclude the sites of a same species and Q is a parameter which is related to specific interfacial energy.…”

Section: Discrete Formulation Of Interfacial Energymentioning

confidence: 99%

Modeling morphology evolution and densification during solid-state sintering via kinetic Monte Carlo simulation

Chen

Jiao³

2016

Modelling Simul. Mater. Sci. Eng.

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Microstructure control is an important subject in solid-state sintering and plays a crucial role in determining post-sintering material properties, such as strength, toughness and density, to name but a few. The preponderance of existing numerical sintering simulations model the morphology evolution and densification process driven by surface energy minimization by either dilating the particles to be sintered or using the vacancy annihilation model. Here, we develop a novel kinetic Monte Carlo model to model morphology evolution and densification during free sintering. Specifically, we derive analytically a heterogeneous densification rate of the sintering system by considering sintering stress induced mass transport. The densification of the system then is achieved by modeling the sintering stress induced mass transfer via applying effective particle displacement and grain boundary migration with an efficient two-step iterative interfacial energy minimization procedure. Coarsening is also considered in the later stages of the simulations. We show that our model can accurately capture the diffusion-induced evolution of particle morphology, including neck formation and growth, as well as realistically reproduce the overall densification of the sintered material.The computationally obtained dynamic density evolution curves for both two-particle sintering and many-particle material sintering are found in excellent agreement with the corresponding experimental master sintering curves. Our model can be utilized to control a variety of structural and physical properties of the sintered materials, such as the pore size and final material density.

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“…In the anode, TPB exist at the interface of nickel and ionic conductors, which can be well evaluated through the micro Monte Carlo model developed by Zhang et al [20][21][22] …”

Section: Electrochemistrymentioning

confidence: 99%