Affiliation:
1. Institute of Physics, University of Zielona Góra, Prof. Szafrana 4a, 65-516, Zielona Góra, Poland
2. Faculty of Physics, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Ha Noi, Vietnam
Abstract
This study aims to study the effect of several structural factors, such as number of atoms (N), shell thickness (d), and temperature (T), on the structure of amorphous iron nanoparticle (amorphous nano-Fe) by using the molecular dynamics (MD) method with Sutton–Chen (SC) dip interaction and free boundary conditions. The structural parameters of amorphous nano-Fe include their size (D), energy (E), radial distribution function (RDF), coordination number (CN), and coordination number density (CNd). The results show that the glass temperature (
) and the first peak position (r) of radial distribution function (RDF) have the values of
= 900 K and r = 2.55 Å, respectively. Furthermore, the values of parameters D and E are always proportional to N−1/3 and N−1, respectively. Regarding the effect of number of atoms, shell thickness, and the temperature on the structure of amorphous nano-Fe, we found that the increase in atoms number leads to decrease in the RDF height and increase in the coordination number (CN). However, increasing temperature leads to decreasing the shell thickness of amorphous nano-Fe.
Subject
Civil and Structural Engineering
Cited by
5 articles.
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