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Collapse transition in polymer models with multiple monomers per site and multiple bonds per edge

机译:聚合物模型中的折叠过渡,每位站点多种单体和每边多键

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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~(β2) 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 β2 × β1, are featured by coil and globule phases separated by a line ofΘ points, as thoroughly demonstrated by the metric νt , crossover Φt , and entropic γt exponents. The existence of theΘ 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 theΘ line when β1 < 0. Interestingly, in two dimensions, only a crossover is found between the coil and globule phases.
机译:我们呈现来自聚合物模型的广泛的蒙特卡罗模拟的结果,其中每个晶格位点可以通过最多可以访问K单体,并且没有限制每个格子边缘的键的数量。通过将Boltzmann权重ω_0= 1,ω_1= e〜(β)1相关联,在正方形和立方格(MMS)上对每个站点(MMS)模型进行调查,用于k = 2和3,以及ω_2= e〜(β2)到1,2和3个单体访问的网站。考虑两个版本的MMS模型,允许散步的直接逆转(RA)或禁止(RF)。与先前的这些模型的模拟相比,我们为RA和RF版本找到了相同的热力学行为。在三维中,空间β2×β1中的相位图由线圈和球形相位为特征在于由θt,交叉φt和熵γt指数彻底证明的线圈和球形相。 θ线的存在也被第二病毒系数证实。这表明这些模型中没有存在不连续的崩溃转变,与基于在一些分布中观察到的弱的偏差的前述权利要求相反,这确实存在于当β1<0时非常靠近θ线的窄区域中。有趣的,在两个维度中,线圈和球状相之间只能发现交叉。

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  • 来源
    《PHYSICAL REVIEW E》 |2017年第6期|062111.1-062111.9|共9页
  • 作者单位

    Departamento de Fisica Universidade Federal de Vicosa 36570-900 Vicosa MG Brazil;

    Departamento de Fisica Universidade Federal de Vicosa 36570-900 Vicosa MG Brazil;

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