Abstract
Electron-irradiation-induced solid-state amorphization (SSA) in C16-Zr 2Ni was investigated by molecular dynamics (MD) simulations by focusing on the atomic-scale mechanism. C16-Zr 2Ni is a typical intermetallic compound that undergoes SSA under MeV electron irradiation. Electron-irradiation-induced SSA was achieved through the accumulation of lattice defects by MD calculations using an embedded-atom (EAM) potential. The Frenkel pairs introduced in the intermetallic compounds could not be removed because of the difficulties in converting the defective crystal back into the original crystal through thermal recovery of the lattice defects; this caused chemical and topological disorder in the crystal. Thermal relaxation (thermal recovery of lattice defects) increased topological and chemical disorder in the local areas of the crystal. The increase in the disordered local area in turn induced SSA. Changes caused by thermal relaxation of the lattice defects in the atomic configuration induced SSA in intermetallic compounds.
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