本文针对沉淀强化奥氏体合金氢脆通常较单相奥氏体严重这一点,采用离散变分方法对氢在沉淀强化奥氏体合金中γ基体与γ'相之间占位进行了第一原理计算和分析.结果表明,氢原子在一般沉淀强化合金的γ与γ'相错配度范围内不会偏聚在相界,而是倾向进入基体中,错配度的微小变化对氢的占位没有影响.只有错配度大于3.7%左右,相当于有一定应变的条件下,氢才会有进入γ'相的倾向.在形变过程中进入γ'相的氢使得γ基体与γ'相界面原子成键的方向性增强,从而影响合金的氢脆性能.
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