Largest Connected Component and Free Energy of Microphase Separated Structures.

DOI Web Site 4 References Open Access
  • KAWAGUCHI Hironobu
    Graduate School of Artificial Intelligence and Science, Rikkyo University, 3-34-1 Nishi-Ikebukuro, Toshima-ku, Tokyo 171-8501, Japan,
  • ITO Mariko I.
    Graduate School of Artificial Intelligence and Science, Rikkyo University, 3-34-1 Nishi-Ikebukuro, Toshima-ku, Tokyo 171-8501, Japan,
  • YAMANAKA Sadato
    Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan
  • AOYAGI Takeshi
    Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan
  • OHNISHI Takaaki
    Graduate School of Artificial Intelligence and Science, Rikkyo University, 3-34-1 Nishi-Ikebukuro, Toshima-ku, Tokyo 171-8501, Japan,

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Other Title
  • ミクロ相分離構造の最大連結成分と自由エネルギー

Abstract

<p>In this study, we attempted to quantify the shape of various metastable structures of microphase separation of ABA triblock copolymers that can be observed in a computer simulation. For the quantification, we focused on the domains where the volume fraction of B (or A) is greater than a preset threshold, and defined a measure that indicates how the size of the largest connected component of such domains decreases as the threshold increases. The value of the measure was strongly correlated with the free energy of the metastable structures.</p>

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