DFT studies of isomorphous substitutions and subsequent adsorption of metal ions in montmorillonite

来源 :第四届国际分子模拟大会(The International Conference on Molecular Simula | 被引量 : 0次 | 上传用户:daxiang11
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
其他文献
会议
会议
The pseudo-elasticity of equiatomic NiTi shape memory alloy nano-pillar subjected to a uniaxial compression-unloading was investigated via molecular dynamics simulation.By analyzing local atomic struc
会议
We performed molecular dynamics simulations of nano-indentation on Cu/Ni coherent multilayer films with different individual layer thickness to investigate the Strengthening and softening mechanisms.W
会议
会议
To study the effect of radicals that generated in the reaction process on 1,1-diamino-2,2-dinitroethylene(FOX-7)dissociation channels,geometries and electronic structures of the complexes which were c
会议