第一性原理分子动力学研究MnO对埋弧焊剂导电机制的影响
Influence of MnO upon Electrical Conductive Mechanisms of Submerged Arc Welding Fluxes: Insights from Ab Initio Molecular Dynamics Simulations
第一性原理分子动力学研究MnO对埋弧焊剂导电机制的影响 |
| 袁航, 张燕云, 王聪 |
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Influence of MnO upon Electrical Conductive Mechanisms of Submerged Arc Welding Fluxes: Insights from Ab Initio Molecular Dynamics Simulations |
| YUAN Hang, ZHANG Yanyun, WANG Cong |
| 图3 目标体系中不同类型O和F以及Si多面体(QSi)和Al多面体(QAl)单元的占比 |
| Fig.3 Distributions of O (a) and F (b) with different types, and Si polyhedron (QSi) (c) and Al polyhedron (QAl) (d) units in target systems (Q n —polyhedron with n BOs, TO—tricluster oxygen, BO—bridging oxygen, NBO—non-bridging oxygen, FO—free oxygen, BF—bonded fluorine, FF—free fluorine) |
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