The paper applies ab initio methods for investigation of possible origin of the easier tritium
release from titanium beryllide Be 12 Ti as compared with that of beryllium. Both materials …

The elastic and thermodynamic properties of tetragonal Be12Ti under high temperature and
pressure are investigated by first-principles calculations based on pseudopotential plane …

Molecular dynamics simulations were employed to study radiation damage created in
collision cascades in L1 0 TiAl intermetallic compound and fcc Ti-50at.% Al disordered solid …

The stability of intrinsic point defects in Be 12 X intermetallics (where X= Ti, V, Mo or W) are
predicted using density functional theory simulations and discussed with respect to fusion …

Titanium beryllide, Be12Ti, has been proposed as a prospective neutron multiplier in fusion
reactors. First-principles calculations have been performed to investigate the nucleation …

Be-rich intermetallics (beryllides) have gathered wide attentions to be adopted for high
temperature environments, such as an advanced neutron multiplier in fusion reactors. This …

First-principles calculations have been conducted to gain insight into the vacancy trap**
mechanism of H atoms produced by neutron induced transmutation in Be 12 Ti, which is a …

Be 12 Ti is a leading candidate neutron-multiplier material for fusion breeder blankets; yet
the evolution of the crystal defects under irradiation is poorly understood. Here, the migration …

First-principles calculations have been executed to investigate the interaction between H/He
impurities and vacancy in tetragonal Be 12 Ti. The solution energies of four types of most …

Beryllium (Be) intermetallic compounds (beryllides) are promising materials for neutron
multiplication in fusion reactors. In particular, titanium beryllide (Be12Ti) exhibits low …