Influence of the Particle Size on the Microstructure and the Curie Temperature ( TC ) of Nano-Iron Particles Model

26 Published By: Blue Eyes Intelligence Engineering & Sciences Publication Pvt. Ltd. Abstract— This paper studies the influence of the particle si ze (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 te mperature (Tc) of nano-iron particles model. The nano-iron pa rticles were created by Molecular Dynamics Simulation method with e Pak-Doyama pair interaction potential and aperiodic boundary conditions which is called soft boundary or free bou ndary. The microstructure characteristics were analyzed through t e radial distribution function (RDF), the energy and the coord ination number. The Curie temperature (Tc) is the point at wh ic 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 spe cific influence of the particle size on the microstructur e 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 tra nsition 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 wi th the results from the theoretical – experimental model showing th e significant influence of the particle size on the Curie temperat ure of the nano-iron particles model. In addition, the nano-ir on particles model at different sizes had the different microstr ucture characteristics and different Curie temperatures.