Parallel algorithm for numerical self-consistent field theory simulations of block copolymer structure

Scott W.Sides; Glenn H.Fredrickson

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Parallel algorithm for numerical self-consistent field theory simulations of block copolymer structure

机译：嵌段共聚物结构数值自洽场理论仿真的并行算法

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摘要

An efficient algorithm is presented for numerically evaluating a self-consistent field theoretic (SCFT) model of block copolymer structure. This algorithm is implemented on a distributed memory parallel cluster in order to solve the SCFT equations on large computational grids. Simulation results are presented for a two-component molten mixture of a symmetric ABA triblock copolymer with an A homopolymers. These results illustrate a case in which simulating a large system is required to resolve features with a wide range of length scales.

机译：提出了一种有效的算法，用于对嵌段共聚物结构的自洽场理论（SCFT）模型进行数值评估。为了在大型计算网格上求解SCFT方程，该算法在分布式内存并行集群上实现。给出了对称ABA三嵌段共聚物与A均聚物的两组分熔融混合物的模拟结果。这些结果说明了一种情况，其中需要模拟大型系统才能解析具有多种长度范围的特征。

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《Polymer: The International Journal for the Science and Technology of Polymers》 |2003年第19期|共8页
作者
Scott W.Sides; Glenn H.Fredrickson;
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原文格式 PDF
正文语种 eng
中图分类高分子化学（高聚物）;
关键词
block copolymers; self-consistent field theory;

机译：嵌段共聚物;自洽场论;

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专利

1. Parallel algorithm for numerical self-consistent field theory simulations of block copolymer structure [J] . Scott W.Sides, Glenn H.Fredrickson Polymer: The International Journal for the Science and Technology of Polymers . 2003,第19期

机译：嵌段共聚物结构数值自洽场理论仿真的并行算法
2. Self-assembly of amphiphilic ABC star triblock copolymers and their blends with AB diblock copolymers in solution: Self-consistent field theory simulations [J] . Ma JW, Li X, Tang P, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2007,第7期

机译：两亲性ABC星型三嵌段共聚物及其与AB二嵌段共聚物在溶液中的共混物的自组装：自洽场论模拟
3. Exploring Microstructures and Interphase Properties of Surface- Grafted Diblock Copolymers in a Homopolymer Melt by Self-Consistent Field Theory Simulations [J] . Deng Shuanghui, Zhang Liangshun, Zhou Xiaodong, Journal of Macromolecular Science. Physics . 2015,第1a3期

机译：通过自洽场理论模拟探索均聚物熔体中表面接枝的二嵌段共聚物的微观结构和界面性质
4. PHASE BEHAVIOR OF COIL-SEMIFLEXIBLE DIBLOCK COPOLYMERS/NANOPARTICLES COMPOSITES USING SELF-CONSISTENT FIELD THEORY [C] . Guang Yang The 12th International Symposium on Polymer Physics(PP’2016)(2016年第十二届国际高分子物理学术讨论会）论文集 . 2016

机译：基于自洽场理论的半球形双嵌段共聚物/纳米复合材料的相行为
5. Self-Consistent Field Theory for the Design of Thermoplastic Elastomers from Miktoarm Block Copolymer - Homopolymer Blends [D] . Hamilton, Andrew Lawrence. 2014

机译：Miktoarm嵌段共聚物-均聚物共混物热塑性弹性体设计的自洽场理论
6. Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation [O] . Ji Wu, Zhihong Huang, Wenchang Lang, 2018

机译：球形约束下ABC线性三嵌段共聚物的表面诱导纳米结构和相图：自洽场理论模拟
7. Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation [O] . Ji Wu, Zhihong Huang, Wenchang Lang, 2018

机译：球面限制下的ABC线性三嵌段共聚物的表面诱导的纳米结构和相图：自一致的场论模拟

Parallel algorithm for numerical self-consistent field theory simulations of block copolymer structure

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