THE INFLUENCE OF PARTICLE NUMBER ON MICROSTRUCTURE OF THE NiAl MODEL

Hue University Journal of Science: Natural Science

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Field Value
 
Title THE INFLUENCE OF PARTICLE NUMBER ON MICROSTRUCTURE OF THE NiAl MODEL
 
Creator Dũng, Nguyễn Trọng
 
Description This paper studies the influence of the number of particle on microstructure of the NiAl bulk model and the NiAl nano particle model by Molecular Dynamics (MD) method with the Sutton-Chen embedded interaction potential and appropriate boundary conditions. The bulk model was studied with periodic boundary conditions and the nano particle model was studied with aperiodic boundary conditions. Studies of NiAl models with 5,324 particles, 6,912 particles and 8,788 particles which were increased in temperature from 0 K to 2,000 K, then lowered from 2,000 K to 300 K with moving step dr = 0.01 have given consistent results with experimental results. The microstructure characteristics were analyzed through the radial distribution function (RDF), the coordination number, the energy, the size of particles and the common neighborhood analysis method (CNA). Results showed that the structure phases fcc, hcp and bcc appeared in the models with 5,324 particles; 6,912 particles and 8,788 particles at temperature of 300 K. Research results also confirmed that there was an influence of the number of particle on the microstructure of the models. 
 
Publisher Hue University
 
Date 2017-04-21
 
Type info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion


 
Format application/pdf
 
Identifier http://joshueuni.edu.vn/index.php/HUJOS-NS/article/view/3757
10.26459/jns.v116i2.3757
 
Source Hue University Journal of Science: Natural Science; Vol 116, No 2 (2016): Hue University Journal of Science: Natural Science
Khoa học Tự Nhiên; Vol 116, No 2 (2016): Hue University Journal of Science: Natural Science
1859-1388
1859-1388
10.26459/jns.v116i2
 
Language vie
 
Relation http://joshueuni.edu.vn/index.php/HUJOS-NS/article/view/3757/87
 
Rights Copyright (c) 2016 Journal of Natural Science
 

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