Ws. Lai et al., Structural stability and amorphization transition in the Ni-Ti system studied by molecular dynamics simulation with an n-body potential, J PHYS JPN, 69(9), 2000, pp. 2923-2937
An n-body Ni-Ti potential is derived and verified to be capable of reproduc
ing some physical properties in the Ni-Ti system. Applying the constructed
potential molecular dynamics simulations of solid-state reaction in the Ni-
Ti multilayers reveal that the growth of an amorphous interlayer follows a
linear t correlation at the very beginning and then shifts to exactly a t(1
/2) law and that a sharp semi-coherent interface serves as a nucleation bar
rier, preventing the interfacial reaction at a temperature up to 873 K. Mor
eover, the asymmetric growth of amorphous interlayer is found to originate
from the sequential disordering of constituent metals by dissolving, its pa
rtner atoms beyond its maximum allowable solubility, which is named as a so
lubility criterion. In addition, the calculated maximum solid Solubilities
also predict that an intrinsic glass forming range in the Ni-Ti system is f
rom 15 to 62 at.% of Ni, which is in good agreement with the experimental r
esults.