Departamento de Física, Universidade Federal de Viçosa, 36570-900, Viçosa, MG, Brazil.
Phys Rev E. 2017 Dec;96(6-1):062111. doi: 10.1103/PhysRevE.96.062111. Epub 2017 Dec 8.
We present results from extensive Monte Carlo simulations of polymer models where each lattice site can be visited by up to K monomers and no restriction is imposed on the number of bonds on each lattice edge. These multiple monomer per site (MMS) models are investigated on the square and cubic lattices, for K=2 and 3, by associating Boltzmann weights ω_{0}=1, ω_{1}=e^{β_{1}}, and ω_{2}=e^{β_{2}} to sites visited by 1, 2, and 3 monomers, respectively. Two versions of the MMS models are considered for which immediate reversals of the walks are allowed (RA) or forbidden (RF). In contrast to previous simulations of these models, we find the same thermodynamic behavior for both RA and RF versions. In three dimensions, the phase diagrams, in space β_{2}×β_{1}, are featured by coil and globule phases separated by a line of Θ points, as thoroughly demonstrated by the metric ν_{t}, crossover ϕ_{t}, and entropic γ_{t} exponents. The existence of the Θ lines is also confirmed by the second virial coefficient. This shows that no discontinuous collapse transition exists in these models, in contrast to previous claims based on a weak bimodality observed in some distributions, which indeed exists in a narrow region very close to the Θ line when β_{1}<0. Interestingly, in two dimensions, only a crossover is found between the coil and globule phases.
我们展示了聚合物模型的广泛蒙特卡罗模拟结果,其中每个晶格位置可以被多达 K 个单体访问,并且对每个晶格边缘上的键数没有限制。这些多单体/位(MMS)模型在正方形和立方晶格上进行了研究,对于 K=2 和 3,将 Boltzmann 权重 ω_{0}=1、ω_{1}=e^{β_{1}}和 ω_{2}=e^{β_{2}}分别与访问的 1、2 和 3 个单体的位相关联。考虑了两种允许(RA)或不允许(RF)立即反转的 MMS 模型版本。与这些模型的先前模拟相反,我们发现 RA 和 RF 版本具有相同的热力学行为。在三维空间中,β_{2}×β_{1}的相图以线圈和球粒相为特征,由Θ点线隔开,这一点通过度量 ν_{t}、交叉 ϕ_{t}和熵 γ_{t}指数得到了彻底证明。第二维里系数也证实了Θ线的存在。这表明这些模型中不存在不连续的崩溃转变,这与之前基于某些分布中观察到的弱双峰性的说法相反,实际上当 β_{1}<0 时,在非常接近 Θ 线的狭窄区域中确实存在双峰性。有趣的是,在二维空间中,仅在线圈和球粒相之间发现了交叉。