Menshutina Natalia, Lebedev Igor, Lebedev Evgeniy, Paraskevopoulou Patrina, Chriti Despoina, Mitrofanov Igor
International Science and Education Center for Transfer of Biopharmaceutical Technologies, Mendeleev University of Chemical Technology of Russia, Moscow 125047, Russia.
Inorganic Chemistry Laboratory, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece.
Gels. 2020 Oct 18;6(4):35. doi: 10.3390/gels6040035.
In this work, a cellular automata (CA) approach was used to generate 3D structures of polyamide and carbon aerogels. Experimental results are used as initial data for materials' digital representations and to verify the developed CA models. Based on the generated digital structures, a computer study of aerogels' mechanical properties was conducted. The offered CA models can be applied for the development of new nanoporous materials such as aerogels of different nature and allow for a reduction in the amount of required full-scale experiments, consequently decreasing development time and costs of new material formulations.
在这项工作中，采用细胞自动机（CA）方法生成聚酰胺和碳气凝胶的三维结构。实验结果用作材料数字表示的初始数据，并用于验证所开发的CA模型。基于生成的数字结构，对气凝胶的力学性能进行了计算机研究。所提供的CA模型可应用于开发新型纳米多孔材料，如不同性质的气凝胶，并可减少所需的全尺寸实验数量，从而缩短新材料配方的开发时间和成本。
