3:55 PM - 4:25 PM
[19p-B32-6] Structure Design of Nanomaterials via Control of Reaction-Precursors
Keywords:Molecular Dynamics, Reaction Precursors, Carbon Nanomaterials
In this talk, ab initio molecular dynamics (MD) simulation of dissociation of carbon precursor, hierarchical clustering for MD results and accelerated MD simulation of carbon diffusion will be introduced for the discussion on the structure design of carbon nanomaterials via control of reaction-precursors.