The Evolution of Atomic Structure of the Zr48Cu36Ag8Al8 Bulk Metallic Glass in the Rapid Cooling Process
2019
Murat CELTEK | Sedat SENGUL | Unal DOMEKELI
In our study, atomic structure and glass formation process of Zr 48 Cu 36 Al 8 Ag 8 quaternary alloy was investigated by molecular dynamic simulation using embedded atom method. The average volume-temperature curve, the pair distribution function (PDF) and the pair analysis method were used to investigate the glass transition process and the atomic structure development depending on the temperature. The total PDF, g(r), calculated at 300 K is in good agreement with previously reported experimental g(r). On the other hand, the glass transition temperature determined by using the average volume-temperature graph is close to that achieved with experimental works. The peaks of the partial PDFs of the Zr-Zr and Cu-Cu pairs inhibit a normal upward trend due to the temperature drop, whereas the peaks of the Al-Al and Ag-Ag pairs exhibit an abnormal behavior by producing very high peaks. The reason for this behavior was the aggregation of Al and Ag atoms in the simulation cell. When the microstructure of the system was examined, it was observed that the 1431, 1541 and 1551 bonded pairs which are indicative of the short range order were dominant in all temperatures. The increase in the fraction of the 1551 bonded pairs, which represent the ideal icosahedral order together with the decreasing temperature, shows that the short range order of the system continues to develop and increase.
Show more [+] Less [-]AGROVOC Keywords
Bibliographic information
This bibliographic record has been provided by Directory of Open Access Journals
