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高温高圧水の構造と動的性質

Structural and dynamical properties of water under high temperatures and pressures

池田 隆司; 片山 芳則

Ikeda, Takashi; Katayama, Yoshinori

環境に応じて多様な振る舞いを示す水の性質の解明は、長い研究の歴史にもかかわらず、なお物理,化学,生物の主要な研究課題となっている。本稿ではまず、第一原理分子動力学法に基づく計算機シミュレーションと放射光X線回折実験を組合せることによって見えてきた高温高圧条件下での水の振る舞いを紹介し、次に今後の展望に触れる。

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 interesting properties depending on the environment is still far from satisfactory. Hence, it is still one of main subjects in vast research fields including physics, chemistry, and biology. In this contribution, we first describe the structural and dynamical properties of water under high temperatures and pressures revealed by combining advanced first principles molecular dynamics simulations and in situ X-ray diffraction experiments. Then, the future prospects for investigating water under higher pressures and temperatures are summarized.

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