Effects of H and He on the clustering behavior of transmutation elements in tungsten

Aggregation of retained helium and hydrogen in titanium beryllide Be12Ti: a first-principles study

“…A positive binding energy indicates that the interaction between the vacancy and H/He is repulsive, while it is attractive with a negative binding energy. 37 …”

Effect of Chrome and Vanadium on the Behavior of Hydrogen and Helium in Tungsten

“…Similarly, the elastic properties of metal may also affect the diffusion behavior of doping elements, especially under stress or pressure. There have been many studies on the influence of element doping on the elastic properties of tungsten and the resulting impact on its processing properties, especially in the study of W-Re alloys doped with Re element [18,40,41,62].…”

“…Some molecular dynamics simulations have investigated the formation mechanism of hydrogen and helium bubbles in W and the diffusion pattern of hydrogen and helium atoms in W [25][26][27][28][29][30][31][32][33][34][35][36][37][38][39]. Many first-principles studies have examined the formation energy of point defects formed by hydrogen and helium atoms in W, the diffusion of hydrogen and helium atoms in W, and how these point defects impact W and W-based alloy performance [10,[40][41][42][43][44][45][46][47][48][49][50][51]. Specifically, Kong et al [47] studied how transition metals interact with hydrogen in W, and Ma et al [48] explored how cerium affects helium behavior in W. While experimental research requires substantial time and money, appropriate potential functions are needed for molecular dynamics simulations of crystal systems.…”