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  • 标题:Monte Carlo Study of Triblock Self-Assembly by Cooperative Motion Algorithm
  • 本地全文:下载
  • 作者:S. Wołoszczuk ; M. Banaszak
  • 期刊名称:Computational Methods in Science and Technology
  • 印刷版ISSN:1505-0602
  • 出版年度:2020
  • 卷号:26
  • 期号:3
  • 页码:89-95
  • DOI:10.12921/cmst.2020.0000025
  • 语种:English
  • 出版社:Poznan Supercomputing and Networking Center
  • 摘要:We perform a comprehensive Monte Carlo study of the ABA triblock self-assembly by the Cooperative Motion Algorithm. Our attention is focused on three series of triblocks which are grown from parent AB diblocks of varying asymmetry. Unlike the previous studies in which the total length of the chain varies upon growing the terminal A-block, here we keep the fixed chain length for a given series. Moreover, we determine the order-disorder transition temperature as the τ parameter (being the ratio of the grown A-block to the length of the parent diblock) increases. In this case we find that the order-disorder transition temperature monotonically decreases for two asymmetric series which is different from the non-monotonic depression of T_ODT reported previously. We also construct a phase diagram which shows a variety of nanostructures as τ is increased.
  • 关键词:cooperative motion algorithm; Monte Carlo; triblock copolymers
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