Coarse-grained molecular dynamics simulation of small ferrogel objects
Coarse-grained molecular dynamics simulation of small ferrogel objects
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DOI：
10.1016/j.jmmm.2014.11.008
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发表时间：
2015-06-01
影响因子：
2.7
通讯作者：
Raikher, Yu. L.
中科院分区：
文献类型：
--
作者：
Ryzhkov, A. V.;Melenev, P. V.;Raikher, Yu. L.
借助粗粒分子动力学研究了铁凝胶（FG）的微观结构。考虑小的FG样品：大约100个磁性纳米颗粒放置在一块准规则聚合物网格的节点中。监测了粒子间偶极相互作用强度、浓度和温度变化时内部构型的变化。所获得的结果表明，径向分布函数是一个敏感的指标的自组织的磁性纳米颗粒在FG，从而产生一个强大的基础上解释光谱测量。(C)2014 Elsevier By. All rights reserved.
The microstructure of ferrogels (FG) is investigated with the aid of coarse-grained molecular dynamics. Small FGs samples are considered: about 100 magnetic nanoparticles placed in the nodes of a piece of a quasi-regular polymer mesh. The changes of internal configuration under variations of the intensity of interparticle dipolar interaction, concentration and temperature are monitored. The obtained results evidence that the radial distribution function is a sensitive indicator of self-organization of the magnetic nanoparticles in FGs, thus yielding a robust basis for interpretation of spectroscopic measurements. (C) 2014 Elsevier By. All rights reserved.