Neutron diffraction with isotope substitution study of levitated liquid Ca3Al2O6
We propose to measure the structure of levitated liquid Ca3Al2O6 using the method of neutron diffraction with 44-Ca isotope substitution. Difference function methods will provide detailed insight into the local Al-O and Ca-O structure. Moreover, a second order difference function will enable the experimental determination of the Ca-Ca partial pair distribution function. Ca3Al2O6 is the Ca-rich limit of the glass forming region in the CaO-Al2O3 system. The results will therefore provide important insight into the role of structure on constraining glass forming ability, an important unresolved problem. The results will be used as a rigourous constraint for molecular dynamics computer simulations, which will allow for the complete determination of the structure and dynamics of the liquid.
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James W E Drewitt; BARNES Adrian C.; CRISTIGLIO Viviana; Henry E. Fischer; HENNET Louis; KOHN Simon and Neuville D. R.. (2015). Neutron diffraction with isotope substitution study of levitated liquid Ca3Al2O6. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-05-956
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