This paper studies the influence of atomic number at temperature of 300 K, temperature at 5324 atoms, phase transition & crystallization at different temperatures of 300 K, 500 K, 600 K, 700 K, 1100 K after 2×105 move steps number by increasing temperature of 4×1012 K/s on microstructure, phase transition temperature, phase transition & crystallization of CuNi nanoparticle by molecular dynamics (MD) with embedded interaction Sutton-Chen and soft boundary conditions. Microstructure characteristics are analyzed through radial distribution function (RDF), energy, size, phase transition temperature (via relationship between energy and temperature), phase transition & crystallization (via radial distribution function, Etot, move step number and common neighbor analysis (CNA)). Results show that first peak position of the radial distribution function is dominant; lengths of Cu-Cu, Ni-Ni with the results of Ni-Ni consistent with simulation. At 300 K temperature, nanoparticle appears in four phases namely FCC, HCP, ICO and Amorphous, presenting the effect of atomic number, temperature and move step number on microstructure, phase transition temperature and phase transition & crystallization of CuNi nanoparticle.
Published in | American Journal of Modern Physics (Volume 6, Issue 4) |
DOI | 10.11648/j.ajmp.20170604.14 |
Page(s) | 66-75 |
Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
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Copyright © The Author(s), 2017. Published by Science Publishing Group |
Atomic Number, Temperature, Move Step Number, Microstructure, Transition Temperature, Crystallization, CuNi Nanoparticle, Molecular Dynamics
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APA Style
Trong Dung Nguyen. (2017). Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles. American Journal of Modern Physics, 6(4), 66-75. https://doi.org/10.11648/j.ajmp.20170604.14
ACS Style
Trong Dung Nguyen. Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles. Am. J. Mod. Phys. 2017, 6(4), 66-75. doi: 10.11648/j.ajmp.20170604.14
AMA Style
Trong Dung Nguyen. Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles. Am J Mod Phys. 2017;6(4):66-75. doi: 10.11648/j.ajmp.20170604.14
@article{10.11648/j.ajmp.20170604.14, author = {Trong Dung Nguyen}, title = {Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles}, journal = {American Journal of Modern Physics}, volume = {6}, number = {4}, pages = {66-75}, doi = {10.11648/j.ajmp.20170604.14}, url = {https://doi.org/10.11648/j.ajmp.20170604.14}, eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajmp.20170604.14}, abstract = {This paper studies the influence of atomic number at temperature of 300 K, temperature at 5324 atoms, phase transition & crystallization at different temperatures of 300 K, 500 K, 600 K, 700 K, 1100 K after 2×105 move steps number by increasing temperature of 4×1012 K/s on microstructure, phase transition temperature, phase transition & crystallization of CuNi nanoparticle by molecular dynamics (MD) with embedded interaction Sutton-Chen and soft boundary conditions. Microstructure characteristics are analyzed through radial distribution function (RDF), energy, size, phase transition temperature (via relationship between energy and temperature), phase transition & crystallization (via radial distribution function, Etot, move step number and common neighbor analysis (CNA)). Results show that first peak position of the radial distribution function is dominant; lengths of Cu-Cu, Ni-Ni with the results of Ni-Ni consistent with simulation. At 300 K temperature, nanoparticle appears in four phases namely FCC, HCP, ICO and Amorphous, presenting the effect of atomic number, temperature and move step number on microstructure, phase transition temperature and phase transition & crystallization of CuNi nanoparticle.}, year = {2017} }
TY - JOUR T1 - Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles AU - Trong Dung Nguyen Y1 - 2017/07/17 PY - 2017 N1 - https://doi.org/10.11648/j.ajmp.20170604.14 DO - 10.11648/j.ajmp.20170604.14 T2 - American Journal of Modern Physics JF - American Journal of Modern Physics JO - American Journal of Modern Physics SP - 66 EP - 75 PB - Science Publishing Group SN - 2326-8891 UR - https://doi.org/10.11648/j.ajmp.20170604.14 AB - This paper studies the influence of atomic number at temperature of 300 K, temperature at 5324 atoms, phase transition & crystallization at different temperatures of 300 K, 500 K, 600 K, 700 K, 1100 K after 2×105 move steps number by increasing temperature of 4×1012 K/s on microstructure, phase transition temperature, phase transition & crystallization of CuNi nanoparticle by molecular dynamics (MD) with embedded interaction Sutton-Chen and soft boundary conditions. Microstructure characteristics are analyzed through radial distribution function (RDF), energy, size, phase transition temperature (via relationship between energy and temperature), phase transition & crystallization (via radial distribution function, Etot, move step number and common neighbor analysis (CNA)). Results show that first peak position of the radial distribution function is dominant; lengths of Cu-Cu, Ni-Ni with the results of Ni-Ni consistent with simulation. At 300 K temperature, nanoparticle appears in four phases namely FCC, HCP, ICO and Amorphous, presenting the effect of atomic number, temperature and move step number on microstructure, phase transition temperature and phase transition & crystallization of CuNi nanoparticle. VL - 6 IS - 4 ER -