The Microstructure of Amorphous Iron Nanoparticle
p. 32-41
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2017
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oai:112.137.131.14:VNU_123-562042017-09-30T15:33:19Z The Microstructure of Amorphous Iron Nanoparticle Mai, Thi Lan Nguyen, Van Hong Nguyen, Thu Nhan Pham, Khac Hung structure amorphous nanoparticle simulation p. 32-41 We have investigated the microstructure of amorphous iron nanoparticle (NP) and its bulk counterpart using molecular dynamic simulation with an embedded atom method (EAM). The NP models have a spherical shape and surface thickness of 3.6±0.125 Å. The microstructure of NP surface and core is analyzed through the coordination number distribution, density profile and distribution of simplex radius. Furthermore, the surface roughness has been identified via the distribution of distance from surface atom to NP surface. It was found that the microstructure of NP core is quite different from that of NP surface. However, their microstructure is almost independent on NP size. The simulation result shows that the NP as well as bulk counterpart contain a large number of "native vacancy". The glass transition temperature increases with NP size and depends on the fraction of surface atoms. 2017-08-10T03:04:17Z 2017-08-10T03:04:17Z 2013 Article 2588-1124 http://repository.vnu.edu.vn/handle/VNU_123/56204 en Vol. 29;No. 3 (2013) application/pdf H. : ĐHQGHN |
| institution |
Vietnam National University, Hanoi |
| building |
VNU Library & Information Center |
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Vietnam |
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VNU Digital Repository |
| language |
English |
| topic |
structure amorphous nanoparticle simulation |
| spellingShingle |
structure amorphous nanoparticle simulation Mai, Thi Lan Nguyen, Van Hong Nguyen, Thu Nhan Pham, Khac Hung The Microstructure of Amorphous Iron Nanoparticle |
| description |
p. 32-41 |
| format |
Article |
| author |
Mai, Thi Lan Nguyen, Van Hong Nguyen, Thu Nhan Pham, Khac Hung |
| author_facet |
Mai, Thi Lan Nguyen, Van Hong Nguyen, Thu Nhan Pham, Khac Hung |
| author_sort |
Mai, Thi Lan |
| title |
The Microstructure of Amorphous Iron Nanoparticle |
| title_short |
The Microstructure of Amorphous Iron Nanoparticle |
| title_full |
The Microstructure of Amorphous Iron Nanoparticle |
| title_fullStr |
The Microstructure of Amorphous Iron Nanoparticle |
| title_full_unstemmed |
The Microstructure of Amorphous Iron Nanoparticle |
| title_sort |
microstructure of amorphous iron nanoparticle |
| publisher |
H. : ĐHQGHN |
| publishDate |
2017 |
| url |
http://repository.vnu.edu.vn/handle/VNU_123/56204 |
| _version_ |
1680968103192690688 |