Koyama, Chihiro, Tahara, Shuta, Kohara, Shinji, Onodera, Yohei, Småbråten, Didrik R., Selbach, Sverre M., Akola, Jaakko, Ishikawa, Takehiko, Masuno, Atsunobu, Mizuno, Akitoshi, Okada, Junpei T., Watanabe, Yuki, Nakata, Yui, Ohara, Koji, Tamaru, Haruka, Oda, Hirohisa, Obayashi, Ippei, Hiraoka, Yasuyuki, and Sakata, Osami
Understanding the liquid structure provides information that is crucial to uncovering the nature of the glass-liquid transition. We apply an aerodynamic levitation technique and high-energy X-rays to liquid (l)-Er2O3 to discover its structure. The sample densities are measured by electrostatic levitation at the International Space Station. Liquid Er2O3 displays a very sharp diffraction peak (principal peak). Applying a combined reverse Monte Carlo – molecular dynamics approach, the simulations produce an Er–O coordination number of 6.1, which is comparable to that of another nonglass-forming liquid, l-ZrO2. The atomic structure of l-Er2O3 comprises distorted OEr4 tetraclusters in nearly linear arrangements, as manifested by a prominent peak observed at ~180° in the Er–O–Er bond angle distribution. This structural feature gives rise to long periodicity corresponding to the sharp principal peak in the X-ray diffraction data. A persistent homology analysis suggests that l-Er2O3 is homologically similar to the crystalline phase. Moreover, electronic structure calculations show that l-Er2O3 has a modest band gap of 0.6 eV that is significantly reduced from the crystalline phase due to the tetracluster distortions. The estimated viscosity is very low above the melting point for l-ZrO2, and the material can be described as an extremely fragile liquid. Liquid structure at extremely high temperature: levitation and quantum beam provide insights Experiments on the International Space Station (ISS) and SPring-8 have revealed properties and structure of liquid at the atomic level. X-ray diffraction provides detailed knowledge of the atomic structure of crystalline materials, but the technique is not so useful for liquids. Experiments on liquids are difficult because of the high temperatures often needed to create the liquid. To circumvent the problem, Chihiro Koyama from the Japan Aerospace Exploration Agency, Shinji Kohara from the National Institute for Materials Science, and co-workers performed density and high-energy X-ray diffraction measurements on levitating liquid erbium oxides in an electrostatic levitation furnace on the ISS and an aerodynamic levitation furnace at SPring-8, respectively. By combining the experimental data with computer simulations, the team were able to model the liquid's structure and properties at both the atomic and electronic levels. The structure of a high-temperature non-glass forming liquid Er2O3 was investigated by a combination of density measurements in the International Space Station and synchrotron X-ray diffraction measurements utilizing levitation techniques with the aid of computational and advanced mathematical analyses. These multidisciplinary approaches revealed that unusually sharp diffraction peak in the liquid is originated from the formation of distorted tetraclusters whose homology is similar to that of the crystalline phase. [ABSTRACT FROM AUTHOR]