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Field-theoretic simulations of polymer solutions:Finite-size and discretization effects

机译:聚合物溶液的现场理论模拟:有限尺寸和离散效应

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摘要

In this work we analyze the finite-size and discretization effects that occur in field-theoretic polymer simulations.Following our previous work,we study these effects for a polymer solution in the canonical ensemble confined to a slit(with nonadsorbing walls)of width L,and focus on the behavior of two quantities:the chemical potential mu,and the correlation length zeta.Our results show that the finite-size effects disappear for both quantities once the lateral size of the system L is larger than ~2zeta.On the other hand,the chemical potential is dominated by the lattice discretization DELTA x.The origins of this dependence are discussed in detail,and a scheme is proposed in which this effect is avoided.Our results also show that the density profiles do not depend on the lattice discretization if DELTAx approx. 2zeta and DELTA xapprox.
机译:在这项工作中,我们分析了在场理论聚合物模拟中出现的有限尺寸和离散化效应。在我们之前的工作之后,我们研究了在正则系集中限于宽度为L的狭缝(具有非吸收壁)的聚合物溶液的这些效应。我们的结果表明,一旦系统L的横向尺寸大于〜2zeta,这两个量的有限尺寸效应就消失了。另一方面,化学势由晶格离散化DELTA x支配。详细讨论了这种依赖性的起源,并提出了避免这种效应的方案。我们的结果还表明,密度分布不​​依赖于如果DELTAx大约 2zeta和D时就没有晶格大小和晶格离散化伪影。 ELTA x约

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