Glass-forming ability determined by the atomic interaction potential for the Ni-Mo system

Abstract

Employing an n-body Ni-Mo potential, a molecular dynamics simulation is performed to study the crystalto-amorphous transition of Ni-and Mo-rich solid solutions with increasing Mo and Ni content, respectively. It is found that the Ni-and Mo-rich supersaturated solid solutions become unstable and transform into amorphous states when the Mo and Ni contents are beyond the critical concentrations at 21 at. % of Mo and 25 at. % of Ni, respectively. The possible correlation of the calculated concentrations with the glass-forming ability of the Ni-Mo system is also discussed. ͓S0163-1829͑99͒15321-9͔

Structural Stability and Amorphization Transition in the Ni–Ti System Studied by Molecular Dynamics Simulation with an n-Body Potential

“…Very recently, the authors' group has conducted molecular-dynamics (MD) simulation to determine the maximum supersaturated solid solubilities of the Ni-Mo system by comparing the relative structural stability of the terminal solid solutions versus their amorphous counterparts and an approximate GFR is thus obtained. 12) The computed GFR is compatible with those previously reported data 15) as well as with the recent results obtained by a specially designed experiment conducted by the authors' group. 16) Encouraged by such success just mentioned, one of the major objectives of the present study is to determine the GFR of another model system, i.e.…”

“…[13][14][15][16][17][18][19] being disordered while only 3Ni atomic planes (Nos. [10][11][12] transferring into disorder. Meanwhile, those atomic planes outside of the disordered region up to both Ni and Ti surfaces remain their crystalline structure as the corresponding S(k)s are greater than 0.75.…”

“…In theoretical pursuing, some empirical models have been proposed in recent decades to predict the GFA of the binary metal systems. [10][11][12] When a melt has a composition within the range of a stable solid solution, rapid solidification usually can not quench the melt into a glass because the crystallization of the solid solution with one of three simplest structures of bcc, fcc and hcp will always win the competition against amorphization. Accordingly, Egami proposed an empirical formula to predict a possible GFR of a system based on a consideration of atomic volume difference between the two constituent metals.…”

Critical Solid Solubility of the Ni-Ti System Determined by Molecular Dynamics Simulation and Ion Mixing

“…From a physical point of view, the relative stability of the solid solutions versus their amorphous counterparts is determined by their respective atomic configurations, which is, in fact, directly governed by the interaction atomic potential of the system. Very recently, the authors' group has successfully calculated the GFR of the Ni-Mo system directly from its interatomic potential through molecular dynamics (MD) simulation and the calculated GFR was found to be in good agreement with the experimental results [10]. In the present study, the glass-forming ability or glass-forming range of another Ni-based binary system, i.e.…”

Interatomic potential to predict the glass-forming ability of Ni–Nb–Mo ternary alloys

“…It is found that binary NiNb bulk metallic glasses can be obtained by rapid solidification while Ni-Mo amorphous alloys can be synthesized by ion beam mixing (IBM) and solid state reaction [12][13][14]. In addition to the experimental exploration, theoretical studies such as molecular dynamics (MD) simulations were carried out to study the metallic glasses in Ni-Nb and NiMo systems [15][16][17]. The research results in both experiment and theory inspired our interest to investigate the metallic glass formation in the Ni-Nb-Mo system.…”