Computational Modelling of Nanomaterials

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Download or read online Computational Modelling of Nanomaterials PDF book by Panagiotis Grammatikopoulos in ePUB, PDF or Kindle eBooks. Published by Elsevier in 30 September 2020 the book become immediate popular and critical acclaim in Technology & Engineering books with total hardcover page 244. Click Download Book button to get book file. Read some info about this book below.

  • Author : Panagiotis Grammatikopoulos
  • Publisher : Elsevier
  • Release : 30 September 2020
  • ISBN : 9780128214985
  • Page : 244 pages
  • Language : English
  • Total View : 5126 Views
  • File Size : 41,8 Mb

Computational Modelling of Nanomaterials Book PDF summary

Due to their small size and their dependence on very fast phenomena, nanomaterials are ideal systems for computational modelling. This book provides an overview of various nanosystems classified by their dimensions: 0D (nanoparticles, QDs, etc.), 1D (nanowires, nanotubes), 2D (thin films, graphene, etc.), 3D (nanostructured bulk materials, devices). Fractal dimensions, such as nanoparticle agglomerates, percolating films and combinations of materials of different dimensionalities are also covered (e.g. epitaxial decoration of nanowires by nanoparticles, i.e. 0D+1D nanomaterials). For each class, the focus will be on growth, structure, and physical/chemical properties. The book presents a broad range of techniques, including density functional theory, molecular dynamics, non-equilibrium molecular dynamics, finite element modelling (FEM), numerical modelling and meso-scale modelling. The focus is on each method’s relevance and suitability for the study of materials and phenomena in the nanoscale. This book is an important resource for understanding the mechanisms behind basic properties of nanomaterials, and the major techniques for computational modelling of nanomaterials. Explores the major modelling techniques used for different classes of nanomaterial Assesses the best modelling technique to use for each different type of nanomaterials Discusses the challenges of using certain modelling techniques with specific nanomaterials

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