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Theoretical and experimental investigation of bulk glass forming ability in bulk amorphous alloy systems

Ayas, Can
In this study molecular dynamics simulation program in NVT ensemble using Velocity Verlet integration was written in order to investigate the glass forming ability of two metallic systems. The Zn-Mg system, one of the frontiers of simple metal-metal metallic glasses and Fe-B, inquiring attention due to presence of many bulk glass forming alloy systems evolved from this binary with different alloying element additions. In addition to this, atomistic calculations on the basis of ordering were carried out for both Zn-Mg and Fe-B systems. Ordering energy values are calculated using electronic theory of alloys in pseudopotential approximation and elements which increase the ordering energy between atoms were determined. The elements which increase the ordering energy most were selected as candidate elements in order to design bulk amorphous alloy systems. In the experimental branch of the study centrifugal casting experiments were done in order to see the validity of atomistic calculations. Industrial low grade ferroboron was used as the master alloy and pure element additions were performed in order to constitute selected compositions. Fe62B21Mo5W2Zr6 alloy was successfully vitrified in bulk form using nearly conventional centrifugal casting processing. Specimens produced were characterized using SEM, XRD, and DSC in order to detect the amorphous structure and also the crystalline counterpart of the structure when the cooling rate is lower. Sequential peritectic and eutectic reaction pattern was found to be important for metallic glasses which can be vitrified in bulk forms with nearly conventional solidification methods.