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Full-Text Articles in Inorganic Chemistry
Simulation Of Structure, Dynamics And Electron Diffraction Patterns Of Heterogeneous Clusters Armn2N, W. H. Jinasena
Simulation Of Structure, Dynamics And Electron Diffraction Patterns Of Heterogeneous Clusters Armn2N, W. H. Jinasena
Electronic Theses and Dissertations
The nitrogen-argon system provides a useful paradigm for studying segregation and mixing behavior in heterogeneous clusters. Using three realistic pair potentials corresponding to argon-argon, nitrogen-nitrogen and argon-nitrogen interactions, the structures and thermodynamics of Arm(N2)n, clusters are investigated. Comparison of these results to previous simulation results on neat argon and nitrogen clusters is made. The initial focus of the study is the series of thirteen particle clusters of Arm(N2)13-m (0 ≤ m ≤ 13); molecular dynamics in the microcanonical ensemble is the principle simulation tool. The icosahedral nitrogen-argon clusters …
Stabilization Of Rutile-Related Thin Film On Tio2 Substrates, Youngnam Cho
Stabilization Of Rutile-Related Thin Film On Tio2 Substrates, Youngnam Cho
Electronic Theses and Dissertations
Conducting metal oxide thin films are of broad interest because they have a wide variety of magnetic and electronic properties. Materials exist that range from superconducting to insulating, are ferromagnetic and are ferroelectric. These properties make thin conducting oxide films attractive for many industrial applications. A class of metal oxides exists that adapt the rutile crystal structure; the structure of the mineral rutile, TiO2. These metal oxides have the general formula MO2 where M is a metal cation of valence +4. Metal oxides crystallizing in the rutile structure also display a wide variety of physical properties. The …