Department of Chemical and Biological Engineering, Colorado State University, Fort Collins, Colorado 80523-1370, USA.
J Chem Phys. 2009 Dec 21;131(23):234903. doi: 10.1063/1.3273426.
We quantified the anisotropy of various lattice models used in polymer simulations based on two quantities: the Fourier transform of the normalized Boltzmann factor of allowable bonds on a lattice (which is the central quantity for describing lattice chain conformations) and the bulk lamellar period at the mean-field order-disorder transition (ODT) of symmetric diblock copolymers on a lattice (which is pertinent to the study of microphase separation). This allowed us to compare the anisotropy of different lattices and to design new lattice models that minimize the quantified anisotropy. A lattice field theory based on the same Hamiltonian used in the newly proposed fast lattice Monte Carlo simulations [Q. Wang, Soft Matter 5, 4564 (2009)] is also presented, along with some mean-field results on the ODT of symmetric diblock copolymers on these lattices obtained under the random-phase approximation.
晶格上允许键的归一化玻尔兹曼因子的傅里叶变换（这是描述晶格链构象的中心量）和晶格上对称二嵌段共聚物的均场有序-无序转变（ODT）时的体层状周期（这与微相分离的研究有关）。这使我们能够比较不同晶格的各向异性，并设计出最大限度减少量化各向异性的新晶格模型。还提出了一种基于新提出的快速晶格蒙特卡罗模拟[Q.Wang,Soft Matter 5,4564(2009)]中使用的相同哈密顿量的晶格场理论，并在随机相位近似下获得了这些晶格上对称二嵌段共聚物 ODT 的一些均场结果。
