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首页> 外文会议>The 6th International Meeting on Information Display and the 5th International Display Manufacturing Conference (IMID/IDMC 2006) >Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Approach to the Design of MgO Protecting Layerin Plasma Display Panel
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Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Approach to the Design of MgO Protecting Layerin Plasma Display Panel

机译：等离子显示屏中MgO保护层设计的量子化学分子动力学和动力学蒙特卡罗方法

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摘要

We developed new quantum chemical molecularrndynamics and kinetic Monte Carlo programs tornsimulate the destruction processes of MgOrnprotecting layer in plasma display panel. Ourrnsimulation results proposed that MgO(111)rnsurface with nano-dot structures covered by (001)rnfacets has the highest stability, which is againstrnthe previous knowledge. The formation of nanodotrnstructures on the MgO(111) surface coveredrnby (001) facets was found to be the reason for thernhigh stability of the MgO(111) surface.rnFurthermore, the effect of grain boundary on thernstability of MgO surfaces was also clarified.
机译：我们开发了新的量子化学分子动力学和动力学蒙特卡洛程序来模拟等离子体显示面板中MgOrn保护层的破坏过程。我们的模拟结果表明，具有被（001）面覆盖的纳米点结构的MgO（111）面具有最高的稳定性，这与现有知识背道而驰。发现被（001）面覆盖的MgO（111）表面形成纳米点是MgO（111）表面高稳定性的原因。此外，晶界对MgO表面热稳定性的影响也得到了阐明。

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  • 来源
  • 会议地点 Daegu Exhibition Convention Center (EXCO)(KR);Daegu Exhibition Convention Center (EXCO)(KR);Daegu Exhibition Convention Center (EXCO)(KR);Daegu Exhibition Convention Center (EXCO)(KR)
  • 作者

    Momoji Kubo; Hiromi Kikuchi; Hideyuki Tsuboi; Michihisa Koyama; rnAkira Endou; Carlos A.Del Carpio; Hiroshi Kajiyama; Akira Miyamoto;

  • 作者单位

    Department of Applied Chemistry, Graduate School of Engineering,Tohoku University, 6-6-11-1302 Aoba Aramaki, Aoba-ku, Sendai 980-8579, Japan PRESTO, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi,Saitama 332-0012, Japan Phone: +81-22-795-7236, E-mail: momoji@aki.che.tohoku.ac.jp;

    Department of Applied Chemistry, Graduate School of Engineering,Tohoku University, 6-6-11-1302 Aoba Aramaki, Aoba-ku, Sendai 980-8579, Japan;

    Department of Applied Chemistry, Graduate School of Engineering,Tohoku University, 6-6-11-1302 Aoba Aramaki, Aoba-ku, Sendai 980-8579, Japan;

    Department of Applied Chemistry, Graduate School of Engineering,Tohoku University, 6-6-11-1302 Aoba Aramaki, Aoba-ku, Sendai 980-8579, Japan;

    Department of Applied Chemistry, Graduate School of Engineering,Tohoku University,;

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