Molecular Dynamics Simulations of Uniaxial Compression of Ceria and Gadolinia Doped Ceria
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.
Zhengyi Jiang, Jingtao Han and Xianghua Liu
Y. J. Chen et al., "Molecular Dynamics Simulations of Uniaxial Compression of Ceria and Gadolinia Doped Ceria", Advanced Materials Research, Vols. 152-153, pp. 1180-1183, 2011