Coarse-Grained Molecular Dynamics Study of Lubrication Properties of Nanometer-Thick Liquid Films

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  • 粗視化分子動力学シミュレーションを用いたナノ厚さ液体膜の潤滑特性解析
  • ソシカ ブンシ ドウリキガク シミュレーション オ モチイタ ナノ アツサ エキタイマク ノ ジュンカツ トクセイ カイセキ

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<p>The establishment of effective lubrication with nanometer-thick liquid films is crucial for the development of advanced miniaturized mechanical systems. Complementary to experiments, molecular dynamics (MD) simulations provide atomic-level insights into the structure and movement of nanometer-thick liquid films. However, conventional all-atom MD simulations are computationally expensive for studying systems over extended length and time scales. Coarse graining, which eliminates some degrees of freedom by grouping several atoms to one bead, is one effective method to reduce computational cost. In this review, the procedure of coarse graining and some points to note for accurate modeling of lubrication phenomena are presented through a concrete example of coarse-grained MD simulations of confined shear of nanometer-thick polar liquid lubricant films at the head-disk interface of magnetic disk drives.</p>

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