Mechanism of thermal transport in zirconia and yttria-stabilized zirconia by molecular-dynamics simulation.

By P. Schelling, S. R. Phillpot ¶. 2001

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Phonon transport in molecular dynamics simulations: Formulation and thermal conductivity prediction. (2006, background): “It has been used in studies of zirconia and yttria-stabilized zirconia [106], silicon [61], quartz [120], and metals [121].”
Thermal conductivity decomposition and analysis using molecular dynamics simulations Part II. Complex silica structures (2004, result): “Similar results related to defects have been found in MD studies of diamond [35] and yttria-stabilized zirconia [54].”
Optimum pyrochlore compositions for low thermal conductivity (2004, methodology): “This implies that by adding additional sources of scattering, such as point defects, it is conceivably possible to reduce the computed value of by a factor of as much as two, although our YSZ results suggest that in practice it may be quite difficult.”
Thermal conductivity decomposition and analysis using molecular dynamics simulations. Part I. Lennard-Jones argon (2004, background): “conductivity of amorphous silica [19], zirconia and yttria-stabilized zirconia [26], LJ systems [23,27], and various liquids [16,20].”