X-ray and neutron diffraction studies and MD simulation of atomic configurations in polyamorphic Y2O3-Al2O3 systems.

Journal article

Supercooled liquids in the Y(2)O(3)-Al(2)O(3) system undergo a liquid-liquid phase transition between a high-temperature, high-density amorphous (HDA) polymorph form and one with lower density (LDA form) that is stable at lower temperature. The two amorphous polymorphs have the same chemical composition, but they differ in their density (ca. 4% difference) and in their heat content (enthalpy) and entropy determined by calorimetry. Here we present new results of structural studies using neutro...

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Authors: Wilding, M; Wilson, M; McMillan, P

• Publication status: Published
• Journal: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
• Volume: 363
• Issue: 1827
• Pages: 589-607
• Publication date: 2005-02-01
• DOI: 10.1098/rsta.2004.1510
• EISSN: 1471-2962
• ISSN: 1364-503X
• Language: English
• Keywords: Models, Chemical; Models, Molecular; Neutron Diffraction; Yttrium; Macromolecular Substances; Aluminum Oxide; X-Ray Diffraction; Computer Simulation; Molecular Conformation