By Behrooz Movahedi
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Additional info for Metallic Glasses: Formation and Properties
Each H‐A bond index is classified by the relation among their neighbours with four indices of integer. The first integer is 1 if the pair is bonded and the considered atomic pair is closer than cut‐off distance or else 2. The common neighbour of the considered atomic pair is defined as the second integer, the number of bonds among common neighbours is the third number and the fourth is used to distinguish the atomic pair if the former three integers are not sufficient. More than 12 types of the bond pairs are found in the alloy at different temperatures with the HA bond‐type index method, which indicate the complex structures of the disorder systems.
The size scale of crystalline zones in the 27 28 Metallic Glasses: Formation and Properties simulation is beyond 10–20 Å, meeting the size requirement of MRO (5–20 Å ). Thus, the crystalline zone can be considered as the MRO. Notably, these MRO structures are the precursor for nucleuses, whereas Q2D‐Is would have barrier effects on nucleation. During the rapid cooling process, Q2D‐Is and crystalline zones competite against each other and finally determine the solid structure at 300 K. For example, at 500 K/ps, Q2D‐Is play the leading role since crystalline zones are limited due to the high cooling rate, and the system exhibits the most disorder at 300 K.
The peaks about first and second of all the PDFs get higher during the glass transition process, which indicates that short to medium structure orderings of the associated atom increases as the temperature decreases. The increase of Ni atom PDF is obvious, which leads to the sharpness peak of the partial PDF (Ni atom) at 300 K eventually. It determines the composi‐ tional and geometrical order became stronger and formed during the glass transition process around Ni atom. 58 Å at 300 K. Figure 3.
Metallic Glasses: Formation and Properties by Behrooz Movahedi