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星型聚合物:对存在吸引相互作用时结构停滞的研究。

Star polymers: a study of the structural arrest in the presence of attractive interactions.

作者信息

Lo Verso F, Reatto L, Foffi G, Tartaglia P, Dawson K A

机构信息

Istituto Nazionale di Fisica della Materia and Dipartimento di Fisica, Università di Milano, Via Celoria 16, I-20133 Milano, Italy.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2004 Dec;70(6 Pt 1):061409. doi: 10.1103/PhysRevE.70.061409. Epub 2004 Dec 22.

Abstract

Simulations and mode-coupling theory calculations, for a large range of the arm number f and packing fraction eta have shown that the structural arrest and the dynamics of star polymers in a good solvent are extremely rich: the systems show a reentrant melting of the disordered glass nested between two stable fluid phases that strongly resemble the equilibrium phase diagram. Starting from a simple model potential we investigate the effect of the interplay between attractive interactions of different range and ultrasoft core repulsion, on the dynamics and on the occurrence of the ideal glass transition line. In the two cases considered so far, we observed some significant differences with respect to the purely repulsive pair interaction. We also discuss the interplay between equilibrium and nonequilibrium phase behavior. The accuracy of the theoretical tools we utilized in our investigation has been checked by comparing the results with molecular dynamics simulations.

摘要

对于大范围的臂数f和堆积分数η,模拟和模式耦合理论计算表明,在良溶剂中星形聚合物的结构阻滞和动力学极其丰富:系统显示出无序玻璃态的再入熔化,该无序玻璃态嵌套在两个非常类似于平衡相图的稳定流体相之间。从一个简单的模型势出发,我们研究了不同范围的吸引相互作用与超软核排斥之间的相互作用对动力学以及理想玻璃化转变线出现的影响。在目前考虑的两种情况下,我们观察到与纯排斥对相互作用相比存在一些显著差异。我们还讨论了平衡和非平衡相行为之间的相互作用。通过将结果与分子动力学模拟进行比较,检验了我们在研究中使用的理论工具的准确性。

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