Chemistry of Materials · 2005 · 32 citations · 21 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsPhysical ChemistrySolid State PhysicsAluminum OxidesMetal OxidesOptical Properties Of SolidsX-ray CrystallographyX-ray DiffractionAb Initio CalculationsAb Initio Potential Energy SurfacesAb Initio SimulationsMelting TemperatureOptical PropertiesSynchrotron DiffractionSynchrotron X-ray DiffractionSynchrotron X-ray Scattering
We have made a new determination of the structure of liquid aluminum oxide over a wide temperature range, including the supercooled region, using synchrotron X-ray diffraction. Measurements were performed over a wide scattering vector range, 0.5−16 Å - 1 . Specimens of aluminum oxide were aerodynamically levitated and laser-heated to temperatures in excess of the melting temperature of 2327 K. Diffraction measurements were performed in a temperature range of 2000−2600 K, which included the supercooled liquid state. Measurements performed in argon (reducing) and oxygen (oxidizing) atmospheres show little structural difference, in contrast to reported differences in optical properties. The X-ray results are in excellent agreement with those of a molecular dynamics simulation performed with an ab initio interaction potential.
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Constant pressure molecular dynamics for molecular systems
Shūichi Nosé, Michael L. Klein · Molecular Physics · 1983 · 3.3K citations
Natural Sciences, Chemistry, Physics +15
Density-driven liquid–liquid phase separation in the system AI2O3–Y2O3
S. Aasland, Paul F. McMillan · Nature · 1994 · 393 citations