Relationship between Crystallization of Water under the Supercooling State and its Orientation from Molecular Behavioral Point of View

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  • OKAWA Seiji
    Department of Mechanical Engineering, School of Engineering, Tokyo Institute of Technology
  • YAKO Jun
    Olympus Corporation
  • UCHIYAMA Satoru
    Department of Mechanical Engineering, School of Engineering, Tokyo Institute of Technology
  • HOZUMI Tsutomu
    Department of Mechanical Engineering, School of Engineering, Tokyo Institute of Technology

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Other Title
  • 分子挙動的視点による過冷却状態下にある水の結晶成長と結晶軸の関係
  • ブンシ キョドウテキ シテン ニ ヨル カレイキャク ジョウタイ カ ニ アル ミズ ノ ケッショウ セイチョウ ト ケッショウジク ノ カンケイ

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<p>The phenomena of freezing and melting of water can be found easily in industrial fields such as ice thermal storage system. However, it has a problem because of the existence of supercooling phenomenon. Six-site model was selected and Molecular Dynamics simulation was performed. The melting point was calculated to be 270 K close to the value in literature, and the maximum solidification rate was found to be at the temperature around 260 K. Next, the initial temperature was set to be 250K and calculations were performed with solid-liquid interface by controlling the temperature to be 250 K at the center of solid, and the behavior of molecules near the interface were observed. It was found that temperature rise occurs at the solid-liquid interface in the microscopic range and it gives more freedom to move or rotate for molecules near the interface and it accelerates the freezing behavior. It was also found that there is a difference in freedom of molecules between growth in a-axial direction and growth in c-axial direction. It confirmed the reason why frazil ice has a disk shape and Tyndall figure is so flat.</p>

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