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1 Molecular Dynamics Simulations of the Melting of Aluminum Nanoparticles Saman Alavi* Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa,…

Technology QM/MD Simulation of SWNT Nucleation on Transition-Metal Carbide Nanoparticles

1. QM/MD Simulation of SWNT Nucleation on Transition-Metal Carbide Nanoparticles Stephan Irle,1 Alister J. Page,2 Honami Yamane,2 Yasuhito Ohta,2 Keiji Morokuma2 1Institute…