In this study, first of all, the atomistic structure of cement hydration products is estimated via molecular dynamics method and their elastic properties are extracted. Then, cement hydration simulation is done by HYMOSTRUC3D model and the obtained results from both molecular dynamics and HYMOSTRUC3D methods are used for simulation in macro-scales through analytic and lattice methods. Finally, elastic properties of cement paste are estimated with two mentioned methods and compared with each other and also with literature. The study, in fact, aims to investigate an appropriate multi-scale simulation model to examine cement paste elastic properties.

中文翻译：

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从原子到宏观的多尺度方法模拟水泥浆的弹性

本研究首先通过分子动力学方法估计水泥水化产物的原子结构并提取其弹性特性。然后，通过HYMOSTRUC3D模型进行水泥水化模拟，并将分子动力学和HYMOSTRUC3D方法的结果通过解析法和晶格法进行宏观模拟。最后，用上述两种方法估计水泥浆体的弹性性能，并相互比较，也与文献进行比较。事实上，该研究旨在研究合适的多尺度模拟模型来检查水泥浆的弹性特性。