Proposed correlation of glass formation ability with critical dosage for the amorphous alloys formed by ion beam mixing

Phys. Chem. Chem. Phys.

et al. 2015

Self Cite

An interatomic potential was constructed for the Ni-Zr-Mo ternary metal system with the newly proposed long-range empirical formulism, which has been verified to be applicable for fcc, hcp and bcc transition metals and their alloys. Applying the constructed potential, molecular dynamics simulations predict a hexagonal composition region within which metallic glass formation is energetically favored. Based on the simulation results, the driving force for amorphous phase formation is derived, and thus an optimized composition is pinpointed to Ni45Zr40Mo15, of which the metallic glass could be most stable or easiest to obtain. Further structural analysis indicates that the dominant interconnected clusters for Ni64Zr36-xMox MGs are 〈0, 0, 12, 0〉, 〈0, 1, 10, 2〉, 〈0, 2, 8, 2〉 and 〈0, 3, 6, 4〉. In addition, it is found that the appropriate addition of Mo content could not only make a more ordered structure with a higher atomic packing density and a lower energy state, but also improve the glass formation ability of Ni-Zr-Mo alloys. Moreover, inherent hierarchical atomic configurations for ternary Ni-Zr-Mo metallic glasses are clarified via the short-range, medium-range and further in the extended scale of the icosahedral network.

Section: Further Discussionsupporting

confidence: 53%

Atomistic modeling to optimize composition and characterize structure of Ni–Zr–Mo metallic glasses

Phys. Chem. Chem. Phys.

et al. 2015

Self Cite

“…We take the (NiTi) 80 Mo 20 alloy as an example. Figure 1(a,b) show the selected area diffraction (SAD) patterns and corresponding bright field image of (NiTi) 80 Mo 20 alloy 11 . One can see the diffused halos without diffraction rings obtained in Fig.…”

Section: Resultsmentioning

confidence: 99%

“…The proposal helps to bridge the gap of experimental data between different producing methods, e . g ., making it possible to apply the IBM results to designing alloy compositions when producing BMGs by LMQ 11 . However, there is still lack of relevant research on the atomic-level structure and structure-property relationship of BMGs to compare the producing methods between LMQ and SSA.…”

mentioning

confidence: 99%

Proposed correlation of structure network inherited from producing techniques and deformation behavior for Ni-Ti-Mo metallic glasses via atomistic simulations

Liu

2016

Sci Rep

Self Cite

Based on the newly constructed n-body potential of Ni-Ti-Mo system, Molecular Dynamics and Monte Carlo simulations predict an energetically favored glass formation region and an optimal composition sub-region with the highest glass-forming ability. In order to compare the producing techniques between liquid melt quenching (LMQ) and solid-state amorphization (SSA), inherent hierarchical structure and its effect on mechanical property were clarified via atomistic simulations. It is revealed that both producing techniques exhibit no pronounced differences in the local atomic structure and mechanical behavior, while the LMQ method makes a relatively more ordered structure and a higher intrinsic strength. Meanwhile, it is found that the dominant short-order clusters of Ni-Ti-Mo metallic glasses obtained by LMQ and SSA are similar. By analyzing the structural evolution upon uniaxial tensile deformation, it is concluded that the gradual collapse of the spatial structure network is intimately correlated to the mechanical response of metallic glasses and acts as a structural signature of the initiation and propagation of shear bands.

“…If a low ion dosage is required to produce amorphous alloys, the GFA of an alloy is regarded as good. No matter whether the GFA of an alloy is good or poor, there exists a minimum required ion dosage D m , below which no uniform amorphous phase can be formed [77]. Furthermore, there exists a negative correlation between the GFA of an alloy and the D m , i.e., the lower the minimum required ion dosage, the better the GFA of an alloy.…”

Section: Metallic Glass Formation By Ion Beam Mixingmentioning

confidence: 99%

Atomistic Simulations to Predict Favored Glass-Formation Composition and Ion-Beam-Mixing of Nano-Multiple-Metal-Layers to Produce Ternary Amorphous Films

Liu

et al. 2018

Metals

Based on the framework of long-range empirical formulas, the interatomic potentials were constructed for the Ni-Nb-Mo (fcc-bcc-bcc) and Ni-Zr-Mo (fcc-hcp-bcc) ternary metal systems. Applying the constructed potentials, atomistic simulations were performed to predict the energetically favored glass formation regions (GFRs) in the respective composition triangles of the systems. In addition, the amorphization driving forces (ADFs), i.e., the energy differences between the solid solutions and disordered phases, were computed and appeared to correlate with the so-called glass forming abilities. To verify the atomistic prediction, ion beam mixing with nano-multiple-metal-layers was carried out to produce ternary amorphous films. The results showed that the composition of ternary amorphous films obtained by ion beam mixing all locate inside the GFRs, supporting the predictions of atomistic simulations. Interestingly, the minimum ion dosage required for amorphization showed a negative correlation with the calculated ADF, implying that the predicted amorphization driving force could be an indicator of the glass formation ability.