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Structural models of randomly packed Tobermorite-like spherical particles: A simple computational approach

机译:随机堆积的托勃脱石状球形颗粒的结构模型:一种简单的计算方法

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In this work, and in order to bring together the atomistic and colloidal viewpoints, we will present a Monte Carlo computational scheme which reproduces the colloidal packing of nano-spherical crystalline tobermorite-like particles. Different Low Density (LD) CS- H and High Density (HD) C-S-H structures will be developed just by varying the computational packing parameters. Finally, the structures resulting from our computational experiments will be analyzed in terms of their densities, surface areas and their mechanical properties.
机译:在这项工作中,为了使原子和胶体观点融合在一起,我们将提出一个蒙特卡罗计算方案,该方案可再现纳米球形晶体辉石状颗粒的胶体堆积。仅通过改变计算包装参数,就可以开发出不同的低密度(LD)CS-H和高密度(HD)C-S-H结构。最后,将根据我们的计算实验得出的结构的密度,表面积和机械性能进行分析。

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