Computational Modelling of Nanomaterials

Computational Modelling of Nanomaterials PDF Author: Panagiotis Grammatikopoulos
Publisher: Elsevier
ISBN: 0128214988
Category : Technology & Engineering
Languages : en
Pages : 246

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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

Computational Modelling of Nanomaterials

Computational Modelling of Nanomaterials PDF Author: Panagiotis Grammatikopoulos
Publisher: Elsevier
ISBN: 0128214988
Category : Technology & Engineering
Languages : en
Pages : 246

Get Book Here

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

Nanoparticles from the Gasphase

Nanoparticles from the Gasphase PDF Author: Axel Lorke
Publisher: Springer Science & Business Media
ISBN: 3642285465
Category : Science
Languages : en
Pages : 425

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Book Description
Gasphase synthesis of nanoparticles and nanostructured materials offers high chemical purity and crystalline quality as well as scalability up to industrial quantities. It is therefore highly attractive for both basic and applied science. This book gives a broad and coherent overview of the complete production and value chain from nanoparticle formation to integration into products and devices. Written by experts in the field – with backgrounds in electrical engineering, experimental and theoretical physics, materials science, and chemical engineering – the book offers a deep insight into the fabrication, characterization and application of nanoparticles from the gasphase. The first part of the book, “Formation”, covers chemical and growth kinetics, in-situ diagnostics, numerical simulation, process development and material deposition. In the second section, the reader is introduced to the structure and dynamics that lead to functional nanoscale systems and materials. The third section, “Properties and Applications”, provides a detailed discussion of the optical, electronic, magnetic and chemical characteristics of nanostructures and demonstrates how these can be used in tailored materials and devices.

Gas-Phase Synthesis of Nanoparticles

Gas-Phase Synthesis of Nanoparticles PDF Author: Yves Huttel
Publisher: John Wiley & Sons
ISBN: 3527340602
Category : Technology & Engineering
Languages : en
Pages : 416

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Book Description
The first overview of this topic begins with some historical aspects and a survey of the principles of the gas aggregation method. The second part covers modifications of this method resulting in different specialized techniques, while the third discusses the post-growth treatment that can be applied to the nanoparticles. The whole is rounded off by a review of future perspectives and the challenges facing the scientific and industrial communities. An excellent resource for anyone working with the synthesis of nanoparticles, both in academia and industry.

Energetic Materials

Energetic Materials PDF Author: Manoj K. Shukla
Publisher: Springer
ISBN: 3319592084
Category : Science
Languages : en
Pages : 484

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Book Description
This book offers a comprehensive account of energetic materials, including their synthesis, computational modeling, applications, associated degradation mechanisms, environmental consequences and fate and transport. This multi-author contributed volume describes how armed forces around the world are moving their attention from legacy explosive compounds, which are heat and shock sensitive (thus posing greater challenges in terms of handling and storage), to the insensitive munitions compounds/formulations such as insensitive munitions explosive (IMX) and the Picatinny Arsenal Explosive (PAX) series of compounds. The description of energetic materials focuses on explosives, pyrotechnic compositions, and propellants. The contributors go on to explain how modern generation energetic compounds must be insensitive to shock and heat but at the same time yield more energy upon explosion. Nanoinspired and/or co-crystallized energetic materials offer another route to generate next-generation energetic materials, and this authoritative book bridges a large gap in the literature by providing a comprehensive analysis of these compounds. Additionally, it includes a valuable overview of energetic materials, a detailed discussion of recent advances on future energetic compounds, nanotechnology in energetic materials, environmental contamination and toxicity, assessment of munitions lethality, the application quantitative structure–activity relationship (QSAR) in design of energetics and the fate and transport of munition compounds in the environment.

Gas Phase Nanoparticle Synthesis

Gas Phase Nanoparticle Synthesis PDF Author: Claes Granqvist
Publisher: Springer Science & Business Media
ISBN: 1402024444
Category : Science
Languages : en
Pages : 194

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Book Description


Mesoscale Modeling in Chemical Engineering Part I

Mesoscale Modeling in Chemical Engineering Part I PDF Author:
Publisher: Academic Press
ISBN: 0128013540
Category : Technology & Engineering
Languages : en
Pages : 389

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Book Description
Focusing Mesoscales of Multiscale Problems in Chemical Engineering, a volume in the Advances in Chemical Engineering series provides readers with the personal views of recognized authorities who present assessments of the state-of-the-art in the field and help readers develop an understanding of its further evolution. Subjects covered in the book are not limited to the classical chemical engineering disciplines. Contributions connecting chemical engineering to related scientific fields, either providing a fundamental basis or introducing new concepts and tools, are encouraged. This volume aims to create a balance between well developed areas such as process industry, transformation of materials, energy, and environmental issues, and areas where applications of chemical engineering are more recent or emerging. - Contains reviews by leading authorities in their respective areas - Provides up-to-date reviews of the latest techniques in the modeling of catalytic processes - Includes a broad mix of US and European authors, as well as academic/industrial/research institute perspectives - Provides discussions on the connections between computation and experimental methods

Gas Phase Nanoparticle Synthesis

Gas Phase Nanoparticle Synthesis PDF Author: Claes Granqvist
Publisher: Springer Science & Business Media
ISBN: 9781402024436
Category : Science
Languages : en
Pages : 200

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Book Description
This book deals with gas-phase nanoparticle synthesis and is intended for researchers and research students in nanomaterials science and engineering, condensed matter physics and chemistry, and aerosol science. Gas-phase nanoparticle synthesis is instrumental to nanotechnology—a field in current focus that raises hopes for environmentally benign, resource-lean manufacturing. Nanoparticles can be produced by many physical, chemical, and even biological routes. Gas-phase synthesis is particularly interesting since one can achieve accurate manufacturing control and hence industrial viability. Nanotechnology is popular today. However, basic scientific aspects of the relevant, underlying processes have not received sufficient attention. This book fills the gap in the current literature by addressing certain fundamentals of gas-phase nanoparticle synthesis. Chapters cover topics such as forces within and dynamics of nanoparticle systems, gas evaporation and deposition, laser assisted nanoparticle synthesis, and nanoparticle fabrication via flame processes. A chapter on in-situ structural studies of nanoparticles undergoing growth complements the exposition.

Metal Oxide Nanoparticles, 2 Volume Set

Metal Oxide Nanoparticles, 2 Volume Set PDF Author: Oliver Diwald
Publisher: John Wiley & Sons
ISBN: 1119436745
Category : Technology & Engineering
Languages : de
Pages : 903

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Book Description
Metal Oxide Nanoparticles A complete nanoparticle resource for chemists and industry professionals Metal oxide nanoparticles are integral to a wide range of natural and technological processes—from mineral transformation to electronics. Additionally, the fields of engineering, electronics, energy technology, and electronics all utilize metal oxide nanoparticle powders. Metal Oxide Nanoparticles: Formation, Functional Properties, and Interfaces presents readers with the most relevant synthesis and formulation approaches for using metal oxide nanoparticles as functional materials. It covers common processing routes and the assessment of physical and chemical particle properties through comprehensive and complementary characterization methods. This book will serve as an introduction to nanoparticle formulation, their interface chemistry and functional properties at the nanoscale. It will also act as an in-depth resource, sharing detailed information on advanced approaches to the physical, chemical, surface, and interface characterization of metal oxide nanoparticle powders and dispersions. Addresses the application of metal oxide nanoparticles and its economic impact Examines particle synthesis, including the principles of selected bottom-up strategies Explores nanoparticle formulation—a selection of processing and application routes Discusses the significance of particle surfaces and interfaces on structure formation, stability and functional materials properties Covers metal oxide nanoparticle characterization at different length scales With this valuable resource, academic researchers, industrial chemists, and PhD students can all gain insight into the synthesis, properties, and applications of metal oxide nanoparticles.

Formation of Advanced Nanomaterials by Gas-Phase Aggregation

Formation of Advanced Nanomaterials by Gas-Phase Aggregation PDF Author: Vladimir N Popok
Publisher: Mdpi AG
ISBN: 9783036527284
Category : Science
Languages : en
Pages : 112

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Book Description
The book represents a collection of papers from Special Issue "Formation of Advanced Nanomaterials by Gas-Phase Aggregation" published in journal Applied Nano. It contains review and original articles covering a range of topics on the growth of clusters/nanoparticles using gas-phase aggregation approaches, the application of cluster beams for the formation of nanomaterials with advanced properties and specific nanostructures as well as providing new fundamental insights on nanoscale properties of materials.

Chemistry of Nanocrystalline Oxide Materials

Chemistry of Nanocrystalline Oxide Materials PDF Author: K. C. Patil
Publisher: World Scientific
ISBN: 9812793143
Category : Science
Languages : en
Pages : 362

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Book Description
Nano-oxide materials lend themselves to applications in a wide variety of emerging technological fields such as microelectronics, catalysts, ceramics, coatings, and energy storage. However, developing new routes for making nano-based materials is a challenging area for solid-state materials chemists. This book does just that by describing a novel method for preparing them. The authors have developed a novel low-temperature, self-propagating synthetic route to nano-oxides by the solution combustion and combustible precursor processes. This method provides the desired composition, structure, and properties for many types of technologically useful nanocrystalline oxide materials like alumina, ceria, iron oxides, titania, yttria, and zirconia, among others.The book is particularly instructive in bringing readers one step closer to the exploration of nanomaterials. Students of nanoscience can acquaint themselves with the actual production and evaluation of nanopowders by this route, while academic researchers and industrial scientists will find answers to a host of questions on nano-oxides. The book also provides an impetus for scientists in industrial research to evaluate and explore new ways to scale up the production of nanomaterials, offering helpful suggestions for further research.