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2022-03-17
摘要翻译:
基于键合和非键合斑点之间的软的、可转移的有效相互作用,提出了聚合物溶液的粗粒多斑点描述。斑点的数量被选择为使斑点密度不超过它们的重叠阈值,允许聚合物浓度被探索到半稀区域的深处。这种定量的多斑点描述保留了已知的聚合物溶液标度律,并提供了准确的振幅估计,同时导致模拟效率的数量级提高,并允许结构和热力学性质的解析计算。
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英文标题:
《A multi-blob representation of semi-dilute polymer solutions》
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作者:
Carlo Pierleoni (1), Barbara Capone (2), Jean-Pierre Hansen (2) ((1)
  INFM CRS-SOFT and Physics Dept. University of L'Aquila, Italy, (2) University
  Chemical Laboratory, Cambridge, United Kingdom)
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最新提交年份:
2007
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分类信息:

一级分类:Physics        物理学
二级分类:Soft Condensed Matter        软凝聚态物质
分类描述:Membranes, polymers, liquid crystals, glasses, colloids, granular matter
膜,聚合物,液晶,玻璃,胶体,颗粒物质
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一级分类:Physics        物理学
二级分类:Statistical Mechanics        统计力学
分类描述:Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变,热力学,场论,非平衡现象,重整化群和标度,可积模型,湍流
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英文摘要:
  A coarse-grained multi-blob description of polymer solutions is presented, based on soft, transferable effective interactions between bonded and non-bonded blobs. The number of blobs is chosen such that the blob density does not exceed their overlap threshold, allowing polymer concentrations to be explored deep into the semi-dilute regime. This quantitative multi-blob description is shown to preserve known scaling laws of polymer solutions and provides accurate estimates of amplitudes, while leading to orders of magnitude increase of simulation efficiency and allowing analytic calculations of structural and thermodynamic properties.
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PDF链接:
https://arxiv.org/pdf/707.1583
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