First principle calculation of helium in La 2 Zr 2 O 7 : Effects on structural, electronic properties and radiation tolerance
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DOI: 10.1016/j.jnucmat.2017.12.024
Abstract: Abstract First principle calculations based on density functional theory have been employed to study structural effects of trapping helium in La 2 Zr 2 O 7 pyrochlore. Lattice swelling and the distortion of unit cell… read more here.
Keywords: first principle; principle calculation; effects structural; calculation helium ... See more keywords