The nucleation and growth of H blisters in dislocation loops in W{110}

The nucleation and growth of H blisters in dislocation loops in W{110}
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W{110} 位错环中 H 泡的成核和生长

DOI:
10.1016/j.jnucmat.2016.06.022
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发表时间:
2016-09
影响因子:
3.1
通讯作者:
Pan, B. C.
Pan, B. C.
中科院分区:
工程技术2区
文献类型:
--
作者:
He, Zhihai;He, H. Y.;Pan, B. C.

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基于第一性原理计算,我们提出了钨(W)中空位型位错环(dl)中H泡形核和生长的机制。我们发现空位型dl在能量上更倾向于在{110}平面上形成。在能量消耗小于0.24 eV的情况下,附近的H原子很容易迁移到dll中并在dll中积累。随着被困氢原子数量的增加,DL迅速膨胀,H泡的成核和生长在DL中逐渐完成。此外,当DL的H面密度达到6.3 × 1015原子/cm2(DL的每横截面积上的H原子数)时,在H泡中观察到h2分子。我们提出的W材料中H泡的形成机制也适用于其他金属和金属合金。
We propose a mechanism for nucleation and growth of H blisters in vacancy-type dislocation loops (DLs) in tungsten (W), based on the first principles calculations. We find that vacancy-type DLs are energetically preferred to form on {110} planes. The H atoms nearby are readily to migrate to and accumulate in the DLs with energy cost less than 0.24 eV. With the increasing number of the trapped H atoms, the DL expands rapidly, consequently, the nucleation and growth of H blisters is completed in the DL gradually. In addition, H2molecules are observed in the H blisters when the H areal density in DL reaches to be of 6.3 × 1015atoms/cm2(the number of H atoms per the cross-sectional area of the DL). Our proposed formation mechanism for H blisters in W material may also be applicable to other metals and metal alloys.
H 与 W(111) 薄膜中堆垛层错的相互作用:H 气泡的可能形成机制
DOI: 10.1039/c3ra45099f
发表时间: 2014-01
期刊: Rsc Advances
影响因子: 3.9
作者:
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通讯作者: Pan, B. C.
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