The melting and freezing of KI nanoparticles confined within zigzag single-walled carbon nanotubes based on molecular dynamics simulations

Article ID	Journal	Published Year	Pages	File Type
5394835	Computational and Theoretical Chemistry	2012	7 Pages	PDF

Abstract

âº The structures and properties confined KI nanoparticles are studied. âº The confined KI nanoparticles may have FCC or multishelled structure. âº The outermost layer of the confined (KI)N exhibits more order than the core. âº Some important thermodynamic and dynamic parameters are estimated.

Keywords

Molecular dynamics simulation Carbon nanotube Nucleation

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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The melting and freezing of KI nanoparticles confined within zigzag single-walled carbon nanotubes based on molecular dynamics simulations

Authors

Yin Wang, Jingling Shao, Xiaolei Zhu,