Toward a Bottom-Up Multiscale Modeling Framework for the Transient Analysis of PEM Fuel Cells Operation

2016 ◽  
pp. 567-607
Keyword(s):  
Fuel Cells ◽  
Multiscale Modeling ◽  
Transient Analysis ◽  
Pem Fuel Cells ◽  
Modeling Framework ◽  
Bottom Up ◽  
Multiscale Modeling Framework

scholarly journals Analytical modeling framework for performance degradation of PEM fuel cells during startup–shutdown cycles

RSC Advances ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 2216-2226
Author(s):  
Yunqi Li ◽  
Xiran Chen ◽  
Yuwei Liu ◽  
Danping Xiong ◽  
Jing Li ◽  
...  
Keyword(s):  
Fuel Cells ◽  
Analytical Modeling ◽  
Catalyst Layer ◽  
Pem Fuel Cells ◽  
Performance Degradation ◽  
Cathode Catalyst ◽  
Modeling Framework ◽  
Carbon Corrosion ◽  
Cathode Catalyst Layer

An analytical modeling framework coupling carbon corrosion and an agglomerate model is established to predict the performance degradation of the cathode catalyst layer (cCL) during startup–shutdown cycles.

A PERIDYNAMICS FORMULATION BASED HIERARCHICAL MULTISCALE MODELING APPROACH BETWEEN CONTINUUM SCALE AND ATOMISTIC SCALE

2012 ◽  
Vol 01 (03) ◽  
pp. 1250029 ◽  
Author(s):  
R. RAHMAN ◽  
A. HAQUE
Keyword(s):  
Multiscale Modeling ◽  
Continuum Model ◽  
Molecular Model ◽  
Multiscale Simulation ◽  
Coupling Method ◽  
Fine Scale ◽  
Modeling Framework ◽  
Multiscale Modeling Framework ◽  
Hierarchical Multiscale ◽  
Nonlocal Force

In this paper, a multiscale modeling framework has been established between peridynamics and atomistic models. Peridynamics (PD) formulation is based on continuum theory implying nonlocal force based interactions. Peridynamics (PD) and molecular dynamics (MD) have similarities since both use nonlocal force based interaction. It means continuum points in PD and MD atoms are separated by finite distance and exert force upon each other. In this work PD based continuum model of epoxy polymer is defined by meshless Lagrangian particles. MD is coupled with PD based continuum model through a hierarchical multiscale modeling framework. In this framework, PD particles at coarse scale interact with fine scale PD particles by transferring pressure, displacements and velocities among each other. Based on the same hierarchical coupling method, fine scale PD model is seamlessly interfaced with molecular model through an intermediate mesoscale region i.e. coarse-grain atomic model. At the end of this hierarchical downscaling, the information — such as deformation, energy and other important parameters — were captured in the atomistic region under the applied force at micro and macro regions. A two-dimensional plate of neat epoxy was considered for demonstration of such multiscale simulation platform. The region of interest in the 2D plate was interfaced with atomistic model by applying the proposed hierarchical coupling method. The results show reasonable consistency between PD and MD simulations.

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