In this study, the liquid Fe model system, which consists of 4000 atoms with molecular dynamic simulation method, is cooled under 0 GPa, 5 GPa, 7 GPa pressure values with 1x1012 K / s and 1x1013 K / s cooling rates, and the different unit cell atomic atomic structure formed by crystal and glass transition temperatures in the structure. clusters were tried to be determined. The Embedded Atom Method, which is based on many body interactions, was used in the calculation of interactions between atoms. It was seen that the pressure increase had an effect on the formation of crystal and amorphous structures in Fe cooled from the liquid phase and the transition temperatures to these structures. Binding energy per unit atom and the Wendt-Abraham parameter were used to determine the crystal and amorphous phase transition (Tg) temperatures. In addition, the percentage of different unit cell structures formed in the Fe model system during solidification from the liquid phase was determined using the Ackland-Jones analysis method.
: December 2, 2020
|APA||Kazanç, S , Aksu Canbay, C . (2021). Fe Elementinin Kristal ve Camsı Faza Dönüşümünün Hidrostatik Basınç Altında İncelenmesi: Moleküler Dinamik Benzetim Çalışması . Bilecik Şeyh Edebali Üniversitesi Fen Bilimleri Dergisi , 8 (1) , 65-77 . DOI: 10.35193/bseufbd.834839|