Influence of the Particle Size on the Microstructure and the Curie Temperature (TC) of Nano-Iron Particles Model
Nguyen Trong Dung1, Nguyen Chinh Cuong2
1PhD student. Nguyen Trong Dung, Faculty of Physics, Hanoi National University of Education, Address: 136 Xuan Thuy Street, Cau Giay District, Hanoi, Vietnam.
2PhD. Nguyen Chinh Cuong, Faculty of Physics, Hanoi National University of Education, Address: 136 Xuan Thuy Street, Cau Giay District, Hanoi, Vietnam
Manuscript received on July 25, 2016. | Revised Manuscript received on July 28, 2016. | Manuscript published on September 05, 2016. | PP: 26-32 | Volume-6 Issue-4, September 2016. | Retrieval Number: D2901096416/2016©BEIESP
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© The Authors. Published By: Blue Eyes Intelligence Engineering and Sciences Publication (BEIESP). This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/)
Abstract: This paper studies the influence of the particle size (with the chosen sizes 2.122 nm; 2.49 nm; 2.884 nm; 3.128 nm; 3.254 nm; 4.07 nm; 4.68 nm; 4.978 nm; 5.3 nm; 6.602 nm; 7.774 nm; 8.392 nm) on the microstructure and the Curie temperature (Tc) of nano-iron particles model. The nano-iron particles were created by Molecular Dynamics Simulation method with the Pak-Doyama pair interaction potential and aperiodic boundary conditions which is called soft boundary or free boundary. The microstructure characteristics were analyzed through the radial distribution function (RDF), the energy and the coordination number. The Curie temperature (Tc) is the point at which materials switch from the ferromagnetic phase to the paramagnetic phase and it is determined through the Ising model. The study purpose of this paper is to determine the relationship between the particle size and the Curie temperature (Tc) of the model. The obtained results showed that there was specific influence of the particle size on the microstructure and the Curie temperature (Tc) of the nano-iron particles model: when the size of the nano-iron particles was increased from 2.122 nm to 2.49 nm; 2.884 nm; 3.128 nm; 3.254 nm; 4.07 nm; 4.68 nm; 4.978 nm; 5.3 nm; 6.602 nm; 7.774 nm; 8.392 nm, the phase transition temperature of the model increased from 8.9 K to 9.3 K; 9.5 K; 9.6 K; 9.7 K; 10 K; 10.1 K; 10.2 K; 10.3 K; 10.4 K; 10.5 K; 10.6 K respectively. The results have also been compared with the results from the theoretical – experimental model showing the significant influence of the particle size on the Curie temperature of the nano-iron particles model. In addition, the nano-iron particles model at different sizes had the different microstructure characteristics and different Curie temperatures.
Keywords: Particle size, microstructure, Curie temperature (Tc), nano-iron particles model, Molecular Dynamics.