Abstract:The effects of alloying and hydrogen dissolution on the mechanical, thermal, and electrical properties of vanadiumbased ternary alloys were investigated using density functional theory. Our study showed that pure V has a lower solution energy than V−Ti−X alloys. Also, tetrahedral interstitial sites are more favorable than octahedral sites to be occupied by the H atoms. Furthermore, the alloys with eight H atoms have a lower capacity than the pure V system for H-trapping at interstitial sites. These findings su… Show more
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