The effects of the interstitial hydrogen on the characteristics of corrosion product of pure Ti in high temperature water was studied by a double exposure corrosion experiment and DFT calculations. A double-layer corrosion product was found in both internally hydrogen charged specimen and internally vacuumed specimen. The main difference in corrosion product was the thickness of outer layer. The adsorption energies of Fe, Ti and O atoms on three surfaces (Ti, TiO and FeTiO) with and without an interstitial hydrogen were considered in the DFT calculation. The correlations between the experimental results and DFT calculations were also discussed.

中文翻译：

---

高温水中间隙氢对Ti腐蚀产物影响的实验及DFT计算

通过双重曝光腐蚀实验和DFT计算，研究了间隙氢对纯Ti在高温水中腐蚀产物特性的影响。在内部充氢样品和内部真空样品中都发现了双层腐蚀产物。腐蚀产物的主要区别在于外层的厚度。在 DFT 计算中考虑了具有和不具有间隙氢的三个表面（Ti、TiO 和 FeTiO）上 Fe、Ti 和 O 原子的吸附能。还讨论了实验结果和DFT计算之间的相关性。