NANOMATERIALS PHYSICAL PROPERTIES SIMULATION AND MODELING APPLICATIONS
Journal Title: Journal of Science And Arts - Year 2009, Vol 10, Issue 1
Abstract
Modeling of nanomaterials requires realistic description of the system across various length and time scales. In order to illustrate how atomistic modeling is being used to determine the structure, physical, and chemical properties of materials at the nanoscale, molecular dynamics (MD) simulations will be presented for nanoscale assemblies based on carbon nanotubes, diamond surfaces, metal alloy nanowires, and ceramics. Some possible applications of atomistic modeling to carbon nanotubes, diamond surfaces, metallic nanowires, and organic liquids confined to nanoscale slits and structural transitions in ceramics will be also presented. These simulations use recent developments in force fields for metals, alloys, ceramics, and various phases of carbon which are also summarized here. This gives some glimpse of the enormous role that theory and modeling is likely to play as nanoscale science becomes a central theme in the 21st century technology.
Authors and Affiliations
Dorin Let, Andreea Stancu, Zorica Bacinschi, Valerica Cimpoca
Keywords
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