Study of elastic properties of CeO2 by statistical moment method
作者： Vu Van Hung , Le Thi Mai Thanh
DOI: 10.1016/J.PHYSB.2011.07.012
关键词:
摘要: Abstract The purpose of the present paper is to investigate temperature and pressure dependences elastic properties cerium dioxide using statistical moment method (SMM). equation states bulk CeO2 derived from Helmholtz free energy, moduli like modulus, BT, shear G, Young’s E, constants (C11, C12, C44) are presented taking into account anharmonicity effects thermal lattice vibrations. In study, influence on has also been studied, three different interatomic potentials. We compare results calculations with those previous theoretical as well available experiments.
harvard.edu
elsevier.com
sci-hub.se 参考文章(20)
Paolo Fornasiero, Alessandro Trovarelli, Catalysis by Ceria and Related Materials ,(2002)
MY Ge, YZ Fang, H Wang, W Chen, Y He, EZ Liu, NH Su, K Stahl, YP Feng, JS Tse, T Kikegawa, S Nakano, ZL Zhang, U Kaiser, FM Wu, HK Mao, JZ Jiang, None, Anomalous compressive behavior in CeO2 nanocubes under high pressure New Journal of Physics. ,vol. 10, pp. 123016- ,(2008) , 10.1088/1367-2630/10/12/123016
Jonathan E. Spanier, Richard D. Robinson, Feng Zhang, Siu-Wai Chan, Irving P. Herman, Size-dependent properties of CeO 2-y nanoparticles as studied by Raman scattering Physical Review B. ,vol. 64, pp. 245407- ,(2001) , 10.1103/PHYSREVB.64.245407
ALESSANDRO TROVARELLI, Catalytic Properties of Ceria and CeO2-Containing Materials Catalysis Reviews-science and Engineering. ,vol. 38, pp. 439- 520 ,(1996) , 10.1080/01614949608006464
N. V. Skorodumova, R. Ahuja, S. I. Simak, I. A. Abrikosov, B. Johansson, B. I. Lundqvist, Electronic, bonding, and optical properties of CeO 2 and Ce 2 O 3 from first principles Physical Review B. ,vol. 64, pp. 115108- ,(2001) , 10.1103/PHYSREVB.64.115108
H Inaba, Ceria-based solid electrolytes Solid State Ionics. ,vol. 83, pp. 1- 16 ,(1996) , 10.1016/0167-2738(95)00229-4
S. Tsunekawa, K. Ishikawa, Z.-Q. Li, Y. Kawazoe, A. Kasuya, Origin of Anomalous Lattice Expansion in Oxide Nanoparticles Physical Review Letters. ,vol. 85, pp. 3440- 3443 ,(2000) , 10.1103/PHYSREVLETT.85.3440
Shikai Xiang, Lingcang Cai, Fuqian Jing, Shunjin Wang, Thermal properties of Al at high pressures and temperatures Physical Review B. ,vol. 70, pp. 174102- ,(2004) , 10.1103/PHYSREVB.70.174102
Vu Van Hung, K Masuda-Jindo, None, Study of thermodynamic properties of cerium dioxide under high pressures Computational Materials Science. ,vol. 49, ,(2010) , 10.1016/J.COMMATSCI.2010.03.003
Vu Van Hung, Kinichi Masuda-Jindo, Application of statistical moment method to thermodynamic properties of metals at high pressures Journal of the Physical Society of Japan. ,vol. 69, pp. 2067- 2075 ,(2000) , 10.1143/JPSJ.69.2067