Theoretical studies of zirconia and defects in zirconia. Final report | Zendy

H. J. F. Jansen | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Theoretical studies of zirconia and defects in zirconia. Final report

Author(s) -

H. J. F. Jansen

Publication year - 1995

Publication title -

osti oai (u.s. department of energy office of scientific and technical information)

Language(s) - English

Resource type - Reports

DOI - 10.2172/132732

Subject(s) - cubic zirconia , monoclinic crystal system , phase diagram , tetragonal crystal system , materials science , molecular dynamics , phase (matter) , total energy , energy (signal processing) , crystallography , thermodynamics , computational chemistry , chemistry , physics , crystal structure , composite material , quantum mechanics , psychology , ceramic , displacement (psychology) , psychotherapist

Supported by this grant the author has performed total energy electronic structure calculations for cubic, tetragonal, and monoclinic zirconia. The results of these calculations agree with the observed ordering of structures in the phase diagram. He has developed model potentials based on the total energy results. Molecular dynamics calculations using these model potentials give a good description of the phase transitions in and the thermal properties of zirconia

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research