Mutual Influence of Different Hydrogen Concentration in α-Zirconium System with Vacancies

• DOI: 10.48550/arxiv.1811.09856
• Publication Date: 2018-01-01
• Authors: Hengyu Li; Haojun Jia; Yan-Zhen Zhao; Leonid Svyatkin; И. П. Чернов
• Keywords: Embrittlement; Hydrogen atom; Brittleness; Lattice (music)

Hydrogen embrittlement in zirconium alloys is one of current challenges nuclear reactor containment and can lead to a rapid decrease mechanical properties materials. Although many previous studies investigated the mechanism hydrogen at high concentration, few concentrate on low concentration which before formation hydrides (only complex state). The purpose this study illuminate complex. We calculate energy Evac binding EH, EH-vac using ABINIT software package. For atom different states lattice, we obtained increased from 26.3% 84.6% 40.6% 119.3%. This indicates that bond between original Zr atoms weakened by entering lattice vacancy more possible. In addition, vacancies make closely connected further increases formation. Therefore, complexes tend expand brittleness becomes main cause embrittlement.