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Title of Journal: J Nanopart Res

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Abbravation: Journal of Nanoparticle Research

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Springer Netherlands

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DOI

10.1007/s13595-013-0350-4

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1572-896X

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Molecular dynamics simulation of iron nanoparticle

Authors: Ngoc Ha Nguyen Richter Henning John Z Wen
Publish Date: 2010/09/17
Volume: 13, Issue: 2, Pages: 803-815
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Abstract

The sintering process of iron nanoparticles produced in a flame environment is investigated by molecular dynamic MD simulations The thermodynamic characteristics and restructuring pathways are studied for twobody and threebody sintering processes The melting point energy and structures are computed for nanoparticles before and after sintering A simplified model is proposed to predict the equilibrium temperature of nanoparticles upon sintering The MD results are used to explain the formation mechanisms of two size ranges of nanoparticles during the flame synthesis The role of sintering during nanoparticle growth is analyzed

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