Computational Modelling of Nanomaterials

Released on by Panagiotis Grammatikopoulos
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  • Computational Modelling of Nanomaterials Book Detail

  • Author : Panagiotis Grammatikopoulos
  • Release Date : 2020-09-30
  • Publisher : Elsevier
  • Genre : Technology & Engineering
  • Pages : 244
  • ISBN 13 : 0128214988
  • File Size : 77,77 MB
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Computational Modelling of Nanomaterials by Panagiotis Grammatikopoulos PDF Summary

Book Description: 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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Computational Modelling of Nanomaterials

Computational Modelling of Nanomaterials

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Due to their small size and their dependence on very fast phenomena, nanomaterials are ideal systems for computational modelling. This book provides an overview

Computational Nanoscience

Computational Nanoscience

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Computer simulation is an indispensable research tool in modeling, understanding and predicting nanoscale phenomena. However, the advanced computer codes used b