Effects of biaxial strain on bulk 8% yttria-stabilised zirconia ion conduction through molecular dynamics

International Journal of Hydrogen Energy

Volumn 37, Issue 9, 2012, Pages 8081-8086

  Dezanneau, G ^a   Hermet, J ^a   Dupe B ^a  

^a ECOLE CENTRALE PARIS   (France)

Author keywords

Oxygen diffusion; SOFC; Strain; Thin films; Zirconia

Indexed keywords

BIAXIAL STRAINS; BULK DIFFUSIONS; CONDUCTION PROPERTIES; DEPOSITED FILMS; EXPERIMENTAL STUDIES; INTERFACE STRUCTURES; ION CONDUCTION; ION-CONDUCTING; MOLECULAR DYNAMICS CALCULATION; OXYGEN DIFFUSION; OXYGEN DIFFUSION COEFFICIENTS; OXYGEN MIGRATION; STRAIN VALUES; STRUCTURAL CHANGE;

DIFFUSION; FILM PREPARATION; LANTHANUM COMPOUNDS; MOLECULAR DYNAMICS; OXYGEN; SOLID OXIDE FUEL CELLS (SOFC); STRAIN; THIN FILMS; YTTRIUM ALLOYS; ZIRCONIA; ZIRCONIUM;

TENSILE STRAIN;

EID: 84860270224     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2011.11.088     Document Type: Conference Paper

References (17)

1. 3 heterostructures Science 321 2008 676
2. 3 heterostructures Science 324 2009 465
3. A. Cavallaro, M. Burriel, J. Roqueta, A. Jaume Apostolidis, A. Bernardi, and A. Tarancon Electronic nature of the enhanced conductivity in YSZ-STO multilayers deposited by PLD Solid State Ionics 181 2010 592 601
4. 3 Solid State Ionics 178 2007 67 76
5. 3. Phys Chem Chem Phys 10 2008 4623 4635
6. T.J. Pennycook, M.J. Beck, K. Varga, M. Varela, S.J. Pennycook, and S.T. Pantelides Origin of colossal ionic conductivity in oxide multilayers: interface induced sublattice disorder Phys Rev Lett 104 2010 art. N°115901
7. W. Araki, and Y. Arai Optimum strain state for oxygen diffusion in yttria-stabilised zirconia Solid State Ionics 190 2011 75 81
8. W. Araki, M. Kuribara, and Y. Arai Effect of uniaxial stress on ionic conductivity of 14 mol%-yttria-stabilized zirconia single crystal Solid State Ionics 193 2011 5 10
9. A. Kushima, and B. Yildiz Oxygen ion diffusivity in strained yttria stabilized zirconia: where is the fastest strain? J Mater Chem 20 2010 4809 4819
10. DL-POLY classic code: http://www.ccp5.ac.uk/DL-POLY-CLASSIC/.
11. Smith W, Forester TR, Todorov IT. The DL-POLY classic user manual, Daresbury Laboratory, United Kingdom.
12. 2 Solid State Ionics 116 1999 339 349
13. 2. Solid State Ionics 128 2000 243 254
14. A. Tarancón, A. Morata, F. Peiró, and G. Dezanneau A molecular dynamics study on the oxygen diffusion in doped fluorites: the effect of the dopant distribution Fuel Cells 11 2011 26 37
15. M. Fujikane, D. Setoyama, S. Nagao, R. Nowak, and S. Yamanaka Nanoindentation examination of yttria-stabilized zirconia (YSZ) crystal J Alloys Compounds 431 2007 250 255
16. C. Korte, N. Schichtel, D. Hesse, and J. Janek Influence of interface structure on mass transport in phase boundaries between different ionic materials experimental studies and formal considerations Monatsh Chem 140 2009 1069 1080
17. N. Schichtel, C. Korte, D. Hesse, and J. Janek Elastic strain at interfaces and its influence on ionic conductivity in nanoscaled solid electrolyte thin films-theoretical considerations and experimental studies Phys Chem Chem Phys 11 2009 3043 3048