O原子对高温合金基体NiCoNiCr晶界作用的理论计算分析
李昕, 江河, 姚志浩, 董建新

Theoretical Calculation and Analysis of the Effect of Oxygen Atom on the Grain Boundary of Superalloy Matrices Ni, Co and NiCr
LI Xin, JIANG He, YAO Zhihao, DONG Jianxin
图2 氧在晶界平面的放置位置及结构弛豫后的O原子位置
Fig.2 Position of oxygen atoms in grain boundary plane of initial model (a-c) and relaxed model (d-f)
(a, d) one oxygen atom (O1) (b, e) two oxygen atoms (O2) (c, f) three oxygen atoms (O3)