Molecular dynamics simulation of yttria-stabilized zirconia (YSZ) crystalline and amorphous solids

An empirically fitted atomic potential allows a classical molecular dynamics study of the static and dynamic properties of both crystalline and amorphous yttria-stabilized zirconia (YSZ) with typical dilute Y(2)O(3) concentrations (i.e. 3.0-12.0 mol% Y(2)O(3)) in the temperature range 300-1400 K. Ba...

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Veröffentlicht in:	Journal of physics. Condensed matter 2011-01, Vol.23 (3), p.035401-16
Hauptverfasser:	Lau, Kah Chun, Dunlap, Brett I
Format:	Artikel
Sprache:	eng
Schlagworte:	Anions Cations Condensed matter Condensed matter: structure, mechanical and thermal properties Crystal structure Diffusion in solids Exact sciences and technology Ionic conductivity Molecular dynamics Physics Self-diffusion and ionic conduction in nonmetals Transport properties of condensed matter (nonelectronic) Yttria stabilized zirconia Yttrium oxide
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