The Bond Fluctuation Model and Other Lattice Models
The Bond Fluctuation Model and Other Lattice Models
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债券波动模型和其他格子模型
DOI：
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发表时间：
2005
期刊：
影响因子：
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通讯作者：
M. Müller
中科院分区：
文献类型：
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作者：
M. Müller
晶格模型构成了一类聚合物材料的粗粒度表示。他们有着悠久的传统，通过计算机模拟和枚举技术来研究长链分子的普遍行为。粗粒度的表示对于研究大时间尺度和长度尺度上的属性通常是必要的。首先，将给出使用格模型的一些理由，并讨论其优点和局限性。然后，将Carmesin和Kremer [1]的键涨落模型置于其他晶格模型的背景下，并与连续介质模型进行比较。将描述测量晶格模型中压力的一些具体技术。在过去的十年中，债券波动模型已被用于100多个模拟研究，只有少数选择的应用可以提及。
Lattice models constitute a class of coarse-grained representations of polymeric materials. They have enjoyed a longstanding tradition for investigating the universal behavior of long chain molecules by computer simulations and enumeration techniques. A coarse-grained representation is often necessary to investigate properties on large time- and length scales. First, some justification for using lattice models will be given and the benefits and limitations will be discussed. Then, the bond fluctuation model by Carmesin and Kremer [1] is placed into the context of other lattice models and compared to continuum models. Some specific techniques for measuring the pressure in lattice models will be described. The bond fluctuation model has been employed in more than 100 simulation studies in the last decade and only few selected applications can be mentioned.