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Success in gaining a new insight into high-temperature water under pressure
�Toward full understanding of water-
Mar. 29 , 2010
The Japan Atomic Energy Agency (JAEA, President Toshio Okazaki) has succeeded in gaining a new insight into water under high temperatures and pressures by combining first principles molecular dynamics simulations with in situ x-ray diffraction experiments conducted using a supercomputer placed at Tokai and a third-generation large-scale synchrotron radiation facility �SPring-8�, respectively.
Although liquid water is one of the most abundant materials on earth and most familiar to all of us, the present understanding of liquid water exhibiting various anomalous properties is still far from satisfactory. The joint research team of Quantum Beam Science Directorate (JAEA) has successfully reproduced fluid water at multi-extreme conditions of pressures (~1 GPa) and temperatures (› 400°) corresponding to the Earth�s interior of a depth ~30 km by both advanced computer simulations and in situ x-ray diffraction experiments and elucidated that high-temperature water under pressure exhibits a characteristic structure of simple liquids, resulting from anomalously fast rotational motions, which turn out to be typically two orders of magnitude faster than in ambient liquid water.
This work has been published in Journal of Chemical Physics 132, 121102 (2010). This research was partially supported by a Grant-in-Aid for Scientific Research on Innovative Areas �Earth Science Based on the High Pressure and Temperature Neutron Experiments� from Ministry of Education, Culture, Sports, Science and Technology, Japan (MEXT), Grant Nos. 20103004 and 20103005.
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