Computational Modelling of Nanomaterials

This PDF book is become immediate popular in Technology & Engineering genre. Computational Modelling of Nanomaterials is written by famous author Panagiotis Grammatikopoulos and Ready to Download in ePUB, PDF or Kindle formats. Released by Elsevier in 2020-09-30. Click Download Book button to get book file and read directly from your devices. Here is a quick description and cover image of Computational Modelling of Nanomaterials book.

Computational Modelling of Nanomaterials
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Publisher : Elsevier
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ISBN : 9780128214985
Pages : 244 pages
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Computational Modelling of Nanomaterials by Panagiotis Grammatikopoulos 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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