MOLECULAR DYNAMICS (MD) SIMULATION OF UNIAXIAL TENSION OF CERIA AND GADOLINIA DOPED CERIA (GDC)

摘要：

In this paper,molecular dynamics (MD) simulations are employed to investigate the mechanical behavior of monocrystal ceria and GDC.The effects of doping content and temperature are taken into consideration.The results show that phase transition can be observed for pure ceria or GDC with low doping content.However,for GDC with high doping contents,no phase transition appears any more.In addition,the fracture stress and Youngs modulus are reduced for all samples by increasing the doping contents,the similar effect can also be observed with the temperature increases.

关键词： molecular dynamics simulation ceria and gadolinia doped ceria mechanical behavior

作者: Y.J.Chen Y.Sun Y.Z.Liu Z.W.Cui

作者单位: Department of Astronautic Science and Mechanics,Harbin Institute of Technology,Harbin,150001,China Department of Civil and Environmental Engineering, Northwestern University,Evanston,USA.

会议类型: 国际会议

会议名称: The Third International Conference on Heterogeneous Material Mechanics(第三届国际非均匀材料力学会议)

会议地点: 上海

会议语种:英文

页码: 75-78

在线出版日期: 2011-05-22（万方平台首次上网日期，不代表论文的发表时间）