Abstract
AbstractBy using isobaric-isothermal molecular dynamics and an n-body effective potential, we show that a dramatic elastic softening precedes the amorphization of NiZr2 occurring on chemically disordering the alloy. Above a critical level of chemical disorder, the shear elastic constant of the alloy increases suddenly up to a value comparable to the one of the amorphous solid obtained by quenching the liquid. This phenomenon occurs at the percolation threshold of the anelastically distorted regions surrounding the antisite defects. The percolation model describes satisfactorily experimental findings concerning the elastic softening and the loss of crystalline order in intermetallic compounds induced by irradiation or hydrogenation.
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