MD Analysis of Effect of Relative Humidity on Molecular Chain’s Network Structure of PEM

Isamu Riku; Keisuke Kawanishi; Koji Mimura

doi:10.4028/www.scientific.net/KEM.725.238

Paper Titles

Quantitative Evaluation of Deformation Twinning Behavior in Polycrystalline Pure Magnesium
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Subsequent Yield Behavior of Hexagonal Metal with Rolling Texture
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On the Role of Grains in Plastic Deformation and Low Cycle Fatigue of Polycrystalline Metal
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High Temperature Deformation of Cast ZW11 Magnesium Alloy with Very Large Grain Size
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MD Analysis of Effect of Relative Humidity on Molecular Chain’s Network Structure of PEM
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Multiscale Simulation of Dynamic Recrystallization for α-Mg Phase in Mg/LPSO Alloys Based on Multi-Phase-Field and Dislocation-Based Crystal Plasticity Model
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Macroscopic Yield Function Predicted by Crystal Plasticity Simulation on Ultrafine-Grained Aluminum
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Numerical Biaxial Tensile Test of Aluminum Alloy Sheets Using Crystal Plasticity Model Implemented in Commercial FEM Software
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Development of Simulation Technology for Production of Porous Polymeric Membranes
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HomeKey Engineering MaterialsKey Engineering Materials Vol. 725MD Analysis of Effect of Relative Humidity on...

MD Analysis of Effect of Relative Humidity on Molecular Chain’s Network Structure of PEM

Abstract:

To clarify the effect of relative humidity on molecular chain’s network structure, we at first employ Molecular Dynamics (MD) method to constitute the computational model for Nafion membrane, in which the water channel is artificially reproduced with an aggregation of water molecules. And then, relaxation calculation is performed and a relatively stable microstructure of Nafion membrane is derived. It is found that the regions of relatively low density of molecular chain’s network appear interchangeably together with those of relatively high density of water molecules.

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Advances in Engineering Plasticity and its Application XIII

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Periodical:

Key Engineering Materials (Volume 725)

Pages:

238-242

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.725.238

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Online since:

December 2016

Authors:

Isamu Riku*, Keisuke Kawanishi, Koji Mimura

Keywords:

MD, Microscopic Structure, Molecular Chain, PEM, Relative Humidity

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