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Critical Solid Solubility of the Ni–Ti System Determined by Molecular Dynamics Simulation and Ion Mixing
Author(s) -
Lai W.S.,
Li Q.,
Lin C.,
Liu B.X.
Publication year - 2001
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200110)227:2<503::aid-pssb503>3.0.co;2-3
Subject(s) - molecular dynamics , amorphous solid , solid solution , solubility , materials science , ion , mixing (physics) , solid solubility , bilayer , chemical physics , thermodynamics , crystallography , chemistry , metallurgy , computational chemistry , physics , membrane , organic chemistry , quantum mechanics , biochemistry
From a realistic n‐body potential of the Ni–Ti system, the critical concentrations of the Ni‐ and Ti‐rich solid solutions were determined by molecular dynamics (MD) simulation to be 38 at% Ti and 15 at% Ni, respectively, beyond which a disordered atomic configuration was more stable than the respective crystalline solid solutions. It follows that the central composition range bounded by the critical solubilities, i.e. within 38–85 at% of Ti, can be considered as the glass‐forming range of the system, which was confirmed by room temperature 200 keV xenon ion mixing of alternately deposited Ni–Ti multilayered films. Moreover, MD simulation of a Ni–Ti bilayer revealed that during the solid‐state amorphization reaction, the growth of the amorphous interlayer followed exactly a t 1/2 law and grew faster towards the Ti lattice than to the Ni side. The physical origin of such an asymmetric behaviour was found to be due to a difference in critical solid solubilty of the constituent metals.