期刊论文

Zhang, L. W.;Liew, K. M.

英文

计算材料学(英文)

2057-3960

2017

133

130-136

10.1016/j.commatsci.2017.03.005

Analysis and comparison of the binding energy shows that the introduction of borophene or graphene into C2S can effectively enhance the chemical bonds and the ability to resist deformation of the configuration at external stress, especially for C2S-G. The order of the structural stability of the complexes from high to low in turn is graphene-filled calcium silicate, borophene-filled calcium silicate and pure calcium silicate. Further analysis and comparison of the interaction energy and van der

本校为第一机构

The structural stability and anti-deforming capability of borophene and graphene-filled calcium silicate (C2S) for cement-based materials are studied by employing molecular dynamic simulations. By analyzing and comparing their various potential energies, it is found that the introduction of borophene or graphene into C2S can effectively improve its structural stability, make the complex nanosheets cling tightly together, and enhance the ability to resist deformation of the configuration at high temperature, especially for borophene-filled calci...