Exact Enumeration Approach to Estimate the Theta Temperature of Interacting Self-Avoiding Walks on the Simple Cubic Lattice

被引：2

作者：

Huang, Sing-Shuo ^{[1
]}

Hsieh, Yu-Hsin ^{[1
]}

Chen, Chi-Ning ^{[1
]}

机构：

[1] Natl Dong Hwa Univ, Dept Phys, Hualien 974, Taiwan

来源：

POLYMERS | 2022年 / 14卷 / 21期

关键词：

collapse transition; interacting self-avoiding walks; exact enumeration; Bulirsch-Stoer extrapolation; PARTITION-FUNCTION; POLYMER; ALGORITHM; RENORMALIZATION; SIMULATIONS; CALCULATE; EFFICIENT; POINT;

D O I：

10.3390/polym14214536

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

We compute the exact root-mean-square end-to-end distance of the interacting self-avoiding walk (ISAW) up to 27 steps on the simple cubic lattice. These data are used to construct a fixed point equation to estimate the theta temperature of the collapse transition of the ISAW. With the Bulirsch-Stoer extrapolation method, we obtain accurate results that can be compared with large-scale long-chain simulations. The free parameter w in extrapolation is precisely determined using a parity property of the ISAW. The systematic improvement of this approach is feasible by adopting the combination of exact enumeration and multicanonical simulations.

引用

页数：13

共 18 条

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