ELASTIC BAND METHOD;
SHAPE-CONTROLLED SYNTHESIS;
FINDING SADDLE-POINTS;
ENERGY LANDSCAPE;
GLOBAL OPTIMIZATION;
PHASE-TRANSITION;
DEFECT MIGRATION;
POTENTIAL-ENERGY;
BUILDING-BLOCKS;
LIQUID-CRYSTALS;
D O I:
10.1039/c0sm01289k
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
We discuss the main features of the potential energy landscape that are associated with efficient 'structure-seeking' systems for particles interacting via anisotropic, pairwise additive forces. The interparticle potentials employed here are intended for a coarse-grained description of mesoscopic building blocks, such as colloids or functionalised metal clusters. We show that the anisotropy of the building blocks and the orientation-dependent interaction strengths are the most important factors that govern self-assembly into particular target morphologies. By varying the model parameters, the self-assembling behaviour can be systematically tuned. Design principles are outlined for various structures, and we postulate a sufficient condition for building-blocks to self-assemble into helical strands.
机构:
South China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R ChinaSouth China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R China
Song, Liujun
Du, Xiaolin
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South China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R ChinaSouth China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R China
Du, Xiaolin
Zhong, Li
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South China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R ChinaSouth China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R China
Zhong, Li
Zhang, Xinya
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South China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R ChinaSouth China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R China
Zhang, Xinya
Cheng, Zhengdong
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机构:
Texas A&M Univ, Artie McFerrin Dept Chem Engn, College Stn, TX 77843 USASouth China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R China
机构:
Univ Tokyo, Dept Mat Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan
TU Wien, Inst Chem Environm & Biosci Engn, Getreidemarkt 9-166, A-1060 Vienna, AustriaUniv Tokyo, Dept Mat Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan
Beisl, Stefan
Adamcyk, Johannes
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TU Wien, Inst Chem Environm & Biosci Engn, Getreidemarkt 9-166, A-1060 Vienna, AustriaUniv Tokyo, Dept Mat Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan
Adamcyk, Johannes
Friedl, Anton
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TU Wien, Inst Chem Environm & Biosci Engn, Getreidemarkt 9-166, A-1060 Vienna, AustriaUniv Tokyo, Dept Mat Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan
Friedl, Anton
Ejima, Hirotaka
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机构:
Univ Tokyo, Dept Mat Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, JapanUniv Tokyo, Dept Mat Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan