11 research outputs found
Molecular dynamics simulations of heat transfer issues
No full textSeveral heat transfer problems related to singlewalled carbon nanotubes (SWNTs) are considered through molecular dynamics (MD) simulations. MD simulations of thermal conductivity along a nanotube, isotope effect in longitudinal thermal conductivity, and thermal boundary resistance in a junction of nanotubes are reviewed. Then, the heat transfer from an SWNT to various surrounding materials is simulated by MD simulations. Heat transfer between nanotubes in a bundle of nanotubes and between a nanotube and water are considered. The heat transfer rate can be well expressed by employing the thermal boundary resistance (TBR). The value of thermal boundary resistance is compared for nanotube-junction, bundle, and water-nanotubes cases
Polyyne Chain Growth and Ring Collapse Drives Ni-Catalyzed SWNT Growth: A QM/MD Investigation
No full textAb Initio Molecular Dynamics Simulation of the Dissociation of Ethanol on a Nickel Cluster: Understanding the Initial Stage of Metal-Catalyzed Growth of Carbon Nanotubes
No full textInvestigation of Thermal Properties of Ni-Coated Graphene Nanoribbons Based on Molecular Dynamics Methods
No full textInterplay of Catalyst Size and Metal鈭扖arbon Interactions on the Growth of Single-Walled Carbon Nanotubes
No full textEvidence for, and an Understanding of, the Initial Nucleation of Carbon Nanotubes Produced by a Floating Catalyst Method
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Control over the Diameter, Length, and Structure of Carbon Nanotube Carpets Using Aluminum Ferrite and Iron Oxide Nanocrystals as Catalyst Precursors
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