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题名: Dynamic Monte Carlo simulations of double crystallization accelerated in microdomains of diblock copolymers
作者: Li, Y ;  Ma, Y ;  Li, J ;  Jiang, XM ;  Hu, WB
刊名: JOURNAL OF CHEMICAL PHYSICS
出版日期: 2012
卷号: 136, 期号:10, 页码:104906
关键词: BLOCK-COPOLYMERS ;  NUCLEATION ;  KINETICS ;  POLYMER
学科分类: Physics
通讯作者: Hu, WB (reprint author), Nanjing Univ, Sch Chem & Chem Engn, Dept Polymer Sci & Engn, State Key Lab Coordinat Chem, Nanjing 210093, Jiangsu, Peoples R China.
部门归属: [Li, Yuan; Ma, Yu; Li, Juan; Jiang, Xiaoming; Hu, Wenbing] Nanjing Univ, Sch Chem & Chem Engn, Dept Polymer Sci & Engn, State Key Lab Coordinat Chem, Nanjing 210093, Jiangsu, Peoples R China; [Li, Yuan; Ma, Yu; Li, Juan; Jiang, Xiaoming; Hu, Wenbing] Chinese Acad Sci, Kavli Inst Theoret Phys China, Beijing 100190, Peoples R China
英文摘要: We report dynamic Monte Carlo simulations of microphase separated diblock copolymers, to investigate how crystallization of one species could accelerate the subsequent crystallization of another species. Although the lattice copolymer model brings a boundary constraint to the long periods of microdomains, the single-molecular-level force balance between two blocks and its change can be revealed in this simple approach. We found two contrastable acceleration mechanisms: (1) the metastable lamellar crystals of one species become thicker at higher crystallization temperatures, sacrificing its microphase interfacial area to make a larger coil-stretching of another amorphous species and hence to accelerate subsequent crystallization of the latter with a more favorable conformation. (2) While in the case allowing chain-sliding in the crystal, the equilibrated lamellar crystals of one species become thinner at higher temperatures, sacrificing its thermal stability to gain a higher conformational entropy of another amorphous species and hence to accelerate subsequent crystallization of the latter with a stronger tension at the block junction. Parallel situations of experiments have been discussed. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3693519]
资助者: National Natural Science Foundation of China [20825415]; National Basic Research Program of China [2011CB606100]
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000301664600040
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/15142
Appears in Collections:理论物理所2012年知识产出_期刊论文

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Recommended Citation:
Li, Y,Ma, Y,Li, J,et al. Dynamic Monte Carlo simulations of double crystallization accelerated in microdomains of diblock copolymers[J]. JOURNAL OF CHEMICAL PHYSICS,2012,136(10):104906.
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