Thermomechanical Properties of Non-Stoichiometric Gadolinium Doped Ceria by Molecular Dynamics Simulations

2013 ◽  
Vol 10 (6) ◽  
pp. 1359-1365 ◽  
Author(s):  
Zhiwei Cui ◽  
Yi Sun ◽  
Jianmin Qu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Thermomechanical Properties ◽  
Doped Ceria ◽  
Dynamics Simulations ◽  
Gadolinium Doped Ceria

Thermodiffusion and ion transport in doped ceria by molecular dynamics simulations

2021 ◽  
Vol 210 ◽  
pp. 116802
Author(s):  
Steffen Grieshammer ◽  
Irina V. Belova ◽  
Graeme E. Murch
Keyword(s):  
Molecular Dynamics ◽  
Ion Transport ◽  
Molecular Dynamics Simulations ◽  
Doped Ceria ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Uniaxial Compression of Ceria and Gadolinia Doped Ceria

2010 ◽  
Vol 152-153 ◽  
pp. 1180-1183
Author(s):  
Yun Jun Chen ◽  
Yi Sun ◽  
Zhi Wei Cui
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Elastic Modulus ◽  
Temperature Dependence ◽  
Molecular Dynamics Simulations ◽  
Uniaxial Compression ◽  
Doped Ceria ◽  
Higher Temperature ◽  
Simulation Results ◽  
Dynamics Simulations

In this paper, we investigate the mechanical properties of ceria and gadolinia doped ceria by molecular dynamics simulations. The doped concentrations and temperature dependence of yield stress and elastic modulus have been evaluated via uniaxial compression. Simulation results reveal that such properties decrease dramatically with higher temperature and doped content. In addition, the attenuated effect of doped content is more significant than that of temperature.

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