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Partially ordered state of ice XV

Komatsu, Kazuki*; Noritake, Fumiya*; Machida, Shinichi*; Sano, Asami   ; Hattori, Takanori   ; Yamane, Ryo*; Kagi, Hiroyuki*

We investigate in-situ neutron diffraction measurements and density functional theory calculations to revisit the structure and stability of ice XV. We find that none of the completely ordered configurations are particular favored; instead, partially ordered states are established as a mixture of ordered domains in disordered ice VI. This scenario in which several kinds of ordered configuration coexist dispels the contradictions in previous studies. It means that the order disorder pairs in ice polymorphs are not one-to-one correspondent pairs but rather have one-to-n correspondence, where there are possible configurations at finite temperature.

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Category:Multidisciplinary Sciences

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