Department of Bioinformatics and Life Science and School of Systems Biomedical Science, Soongsil University, Seoul 156-743, Korea.
J Chem Phys. 2010 Sep 21;133(11):114106. doi: 10.1063/1.3486176.
We study the collapse transition of the lattice homopolymer on a square lattice by calculating the exact partition function zeros. The exact partition function is obtained by enumerating the number of possible conformations for each energy value, and the exact distributions of the partition function zeros are found in the complex temperature plane by solving a polynomial equation. We observe that the locus of zeros closes in on the positive real axis as the chain length increases, providing the evidence for the onset of the collapse transition. By analyzing the scaling behavior of the first zero with the polymer length, we estimate the transition temperature T(θ) and the crossover exponent φ.
我们通过计算精确的配分函数零点来研究正方形格子上的晶格均聚物的坍塌转变。精确的配分函数是通过对每个能量值的可能构象进行计数得到的,并且通过求解多项式方程,在复温度平面上找到了精确的配分函数零点分布。我们观察到,随着链长的增加,零点的轨迹在正实轴上闭合,为坍塌转变的开始提供了证据。通过分析与聚合物长度相关的第一个零点的标度行为,我们估计了转变温度 T(θ)和交叉指数 φ。