Reverse Monte Carlo modeling of the structure of colloidal aggregates.
Reverse Monte Carlo modeling of the structure of colloidal aggregates.
复制标题
胶体聚集体结构的逆蒙特卡罗建模。
DOI：
10.1016/j.jcis.2004.04.041
复制
发表时间：
2004
影响因子：
9.9
通讯作者：
O. Pizio
中科院分区：
文献类型：
--
作者：
L. Pusztai;H. Domínguez;O. Pizio
在这项工作中，我们给出了来自扩散限制团簇聚集模拟方法的气凝胶结构的结果。将模拟得到的对分布函数和结构因子作为逆蒙特卡罗模型的实验输入。模拟得到的结构模型具有与模拟结果几乎相同的对分布函数和结构因子。从近邻数目分布的角度分析了模拟和反蒙特卡罗模拟得到的粒子构型。结果表明，将逆蒙特卡罗方法应用于结构因子，可能是解释胶体气凝胶实验散射数据的一种合适的方法。
In this work we present results for the structure of aerogels coming from the diffusion-limited cluster aggregation simulation method. Pair distribution functions and structure factors, resulting from simulation, were considered as experimental input for reverse Monte Carlo modeling. The modeling yielded structural models with pair distribution functions and structure factors nearly identical to the results of the simulations. Particle configurations from both the simulations and reverse Monte Carlo modeling have been analyzed in terms of the distribution of the number of neighbors. It is suggested that the reverse Monte Carlo method, when applied to the structure factor, may be a suitable technique for the interpretation of experimental scattering data on colloidal aerogels.