Phase behavior of ionic microgels -: art. no. 068301

被引：121

作者：

Gottwald, D

Likos, CN

Kahl, G

Löwen, H

机构：

[1] Vienna Tech Univ, Ctr Computat Mat Sci, A-1040 Vienna, Austria

[2] Vienna Tech Univ, Inst Theoret Phys, A-1040 Vienna, Austria

[3] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany

来源：

PHYSICAL REVIEW LETTERS | 2004年 / 92卷 / 06期

关键词：

D O I：

10.1103/PhysRevLett.92.068301

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We employ effective interaction potentials between spherical polyelectrolyte microgels in order to investigate theoretically the structure, thermodynamics, and phase behavior of ionic microgel solutions. Combining a genetic algorithm with accurate free energy calculations we are able to perform an unrestricted search of candidate crystal structures. Hexagonal, body-centered orthogonal, and trigonal crystals are found to be stable at high concentrations and charges of the microgels, accompanied by reentrant melting behavior and fluid-fcc-bcc transitions below the overlap concentration.

引用

页数：4

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