Standard

Molecular dynamics simulation of oxygen diffusion in cubic yttria-stabilized zirconia: Effects of temperature and composition. / Sizov, Vladimir V.; Lampinen, Markku J.; Laaksonen, Aatto.

In: Solid State Ionics, Vol. 266, 2014, p. 29-35.

Research output: Contribution to journal › Article › peer-review

Harvard

Sizov, VV, Lampinen, MJ & Laaksonen, A 2014, 'Molecular dynamics simulation of oxygen diffusion in cubic yttria-stabilized zirconia: Effects of temperature and composition', Solid State Ionics, vol. 266, pp. 29-35. https://doi.org/10.1016/j.ssi.2014.08.003, https://doi.org/10.1016/j.ssi.2014.08.003

APA

Sizov, V. V., Lampinen, M. J., & Laaksonen, A. (2014). Molecular dynamics simulation of oxygen diffusion in cubic yttria-stabilized zirconia: Effects of temperature and composition. Solid State Ionics, 266, 29-35. https://doi.org/10.1016/j.ssi.2014.08.003, https://doi.org/10.1016/j.ssi.2014.08.003

Vancouver

Sizov VV, Lampinen MJ, Laaksonen A. Molecular dynamics simulation of oxygen diffusion in cubic yttria-stabilized zirconia: Effects of temperature and composition. Solid State Ionics. 2014;266:29-35. https://doi.org/10.1016/j.ssi.2014.08.003, https://doi.org/10.1016/j.ssi.2014.08.003

Author

Sizov, Vladimir V. ; Lampinen, Markku J. ; Laaksonen, Aatto. / Molecular dynamics simulation of oxygen diffusion in cubic yttria-stabilized zirconia: Effects of temperature and composition. In: Solid State Ionics. 2014 ; Vol. 266. pp. 29-35.

BibTeX

@article{b84b97145e1744a9a948b441e0a3ee21,
title = "Molecular dynamics simulation of oxygen diffusion in cubic yttria-stabilized zirconia: Effects of temperature and composition",
abstract = "Diffusion of oxygen ions in yttria-stabilized zirconia was studied using constant-volume molecular dynamics simulations for temperatures ranging from 1000 K to 2000 K and for varied compositions between 4 and 12 mol% Y2O3. Non-monotonic dependence of diffusion coefficients on yttria content was observed with a maximum at 5–7 mol%. With increasing temperature the position of diffusion maximum was drifting towards higher Y2O3 content. The highest oxygen diffusion coefficients were obtained for Y2O3 concentrations close to the limit of cubic phase stability region. Diffusion activation energies increased monotonically with increasing concentration of the dopant.",
author = "Sizov, {Vladimir V.} and Lampinen, {Markku J.} and Aatto Laaksonen",
year = "2014",
doi = "10.1016/j.ssi.2014.08.003",
language = "English",
volume = "266",
pages = "29--35",
journal = "Solid State Ionics",
issn = "0167-2738",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Molecular dynamics simulation of oxygen diffusion in cubic yttria-stabilized zirconia: Effects of temperature and composition

AU - Sizov, Vladimir V.

AU - Lampinen, Markku J.

AU - Laaksonen, Aatto

PY - 2014

Y1 - 2014

N2 - Diffusion of oxygen ions in yttria-stabilized zirconia was studied using constant-volume molecular dynamics simulations for temperatures ranging from 1000 K to 2000 K and for varied compositions between 4 and 12 mol% Y2O3. Non-monotonic dependence of diffusion coefficients on yttria content was observed with a maximum at 5–7 mol%. With increasing temperature the position of diffusion maximum was drifting towards higher Y2O3 content. The highest oxygen diffusion coefficients were obtained for Y2O3 concentrations close to the limit of cubic phase stability region. Diffusion activation energies increased monotonically with increasing concentration of the dopant.

AB - Diffusion of oxygen ions in yttria-stabilized zirconia was studied using constant-volume molecular dynamics simulations for temperatures ranging from 1000 K to 2000 K and for varied compositions between 4 and 12 mol% Y2O3. Non-monotonic dependence of diffusion coefficients on yttria content was observed with a maximum at 5–7 mol%. With increasing temperature the position of diffusion maximum was drifting towards higher Y2O3 content. The highest oxygen diffusion coefficients were obtained for Y2O3 concentrations close to the limit of cubic phase stability region. Diffusion activation energies increased monotonically with increasing concentration of the dopant.

U2 - 10.1016/j.ssi.2014.08.003

DO - 10.1016/j.ssi.2014.08.003

M3 - Article

VL - 266

SP - 29

EP - 35

JO - Solid State Ionics

JF - Solid State Ionics

SN - 0167-2738

ER -

ID: 7013098