Hydrogen-enhanced intergranular failure of sulfur-doped nickel grain boundary: In situ electrochemical micro-cantilever bending vs. DFT
Hydrogen-enhanced intergranular failure of sulfur-doped nickel grain boundary: In situ electrochemical micro-cantilever bending vs. DFT
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掺硫镍晶界的氢增强晶间破坏：原位电化学微悬臂梁弯曲与 DFT
DOI：
10.1016/j.msea.2020.139967
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发表时间：
2020
期刊：
影响因子：
6.4
通讯作者：
A. Barnoush
中科院分区：
文献类型：
--
作者：
Tarlan Hajilou;I. Taji;F. Christien;Shuang He;D. Scheiber;W. Ecker;R. Pippan;V. Razumovskiy;A. Barnoush
采用微悬臂梁弯曲试验和密度泛函理论（DFT）计算研究了镍（Ni）单晶界由于硫（S）、氢（H）及其共偏聚引起的沿晶失效.纯Ni GB显示出完全的塑性行为，在实验中没有观察到断裂。GB中不含S的试样的电化学充氢导致在缺口尖端形成裂纹，该裂纹以塑性-脆性混合断裂模式扩展。悬臂梁测试的H充电GB与S的结果在一个明确的脆断GB。S和H的共偏析将载荷-位移曲线中的突然下降移动到较小的位移值。这是由这些元素对所选GB的分离工作的综合影响导致GB内聚性严重降低来解释的。
Intergranular failure of nickel (Ni) single grain boundaries (GBs) owing to the segregation of sulfur (S), hydrogen (H), and their co-segregation has been investigated by employing micro-cantilever bending tests and density functional theory (DFT) calculations. A pure Ni GB shows completely plastic behavior with no fracture observed in the experiments. Electrochemical H-charging of the sample with no S present in the GB leads to a crack formed at the notch tip, which propagates by means of the mixed plastic–brittle fracture mode. Cantilever testing of the H-charged GB with S results in a clear brittle fracture of the GB. The co-segregation of S and H shifts the sudden drop in the load–displacement curves to smaller values of displacement. This is explained by the combined effect of these elements on the work of separation of the selected GB leading to severely decreased GB cohesion.
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DOI：
10.1016/j.msea.2019.05.036
发表时间：
2019-07-08
影响因子：
6.4
作者：
Bertsch, K. M.;Wang, S.;Robertson, I. M.
通讯作者：
Robertson, I. M.
影响因子：
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作者：
Pineau, A.;Benzerga, A. A.;Pardoen, T.
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影响因子：
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作者：
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Bamoush, Afrooz
通过移动溶质原子进行固溶软化和硬化，特别关注氢
影响因子：
6
作者：
R. Kirchheim
通讯作者：
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