搜索结果: 1-2 共查到“计算物理学 Prediction”相关记录2条 . 查询时间(0.547 秒)
Prediction of a novel monoclinic carbon allotrope
Prediction novel monoclinic carbon allotrope
<
2012/2/29
A novel allotrope of carbon with $P2/m$ symmetry was identified during an \emph{ab-initio} minima-hopping structural search which we call $M10$-carbon. This structure is predicted to be more stable th...
Prediction of equilibrium Li isotope fractionation between minerals and aqueous solutions at high P and T: an efficient ab initio approach
Li isotope fractionation equilibrium minerals aqueous
<
2011/8/11
Abstract: The mass-dependent equilibrium stable isotope fractionation between different materials is an important geochemical process. Here we present an efficient method to compute the isotope fracti...