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Author : Thomas S. Gates
Publisher : Unknown
Page : 24 pages
File Size : 55,5 Mb
Release : 2003
Category : Composite materials
ISBN : NASA:31769000648173
Author : National Aeronautics and Space Administration (NASA)
Publisher : Createspace Independent Publishing Platform
Page : 34 pages
File Size : 52,5 Mb
Release : 2018-06-20
Category : Electronic
ISBN : 1721569103
The paper provides details on the structure and implementation of the Computational Materials program at the NASA Langley Research Center. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation of models are highlighted and discussed within the context of NASA's broad mission objectives. Gates, Thomas S. and Hinkley, Jeffrey A. Langley Research Center NASA/TM-2003-212163, L-18267, NAS 1.15:212163
Author : Panagiotis Grammatikopoulos
Publisher : Elsevier
Page : 244 pages
File Size : 51,8 Mb
Release : 2020-09-30
Category : Technology & Engineering
ISBN : 9780128214985
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
Author : Satya Bir Singh,A. K. Haghi
Publisher : AAP Research Notes on Nanoscience and Nanotechnology
Page : 318 pages
File Size : 52,7 Mb
Release : 2022
Category : Nanostructured materials
ISBN : 1774630192
An overview of approaches for designing nanostructured materials. It covers several aspects of the simulation and design of nanomaterials. The volume also looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties and how they can be used to simulate and analyze nanostructures.
Author : Sarhan M. Musa
Publisher : CRC Press
Page : 540 pages
File Size : 55,9 Mb
Release : 2018-09-03
Category : Science
ISBN : 9781351833455
Applications of nanotechnology continue to fuel significant innovations in areas ranging from electronics, microcomputing, and biotechnology to medicine, consumer supplies, aerospace, and energy production. As progress in nanoscale science and engineering leads to the continued development of advanced materials and new devices, improved methods of modeling and simulation are required to achieve a more robust quantitative understanding of matter at the nanoscale. Computational Nanotechnology: Modeling and Applications with MATLAB® provides expert insights into current and emerging methods, opportunities, and challenges associated with the computational techniques involved in nanoscale research. Written by, and for, those working in the interdisciplinary fields that comprise nanotechnology—including engineering, physics, chemistry, biology, and medicine—this book covers a broad spectrum of technical information, research ideas, and practical knowledge. It presents an introduction to computational methods in nanotechnology, including a closer look at the theory and modeling of two important nanoscale systems: molecular magnets and semiconductor quantum dots. Topics covered include: Modeling of nanoparticles and complex nano and MEMS systems Theory associated with micromagnetics Surface modeling of thin films Computational techniques used to validate hypotheses that may not be accessible through traditional experimentation Simulation methods for various nanotubes and modeling of carbon nanotube and silicon nanowire transistors In regard to applications of computational nanotechnology in biology, contributors describe tracking of nanoscale structures in cells, effects of various forces on cellular behavior, and use of protein-coated gold nanoparticles to better understand protein-associated nanomaterials. Emphasizing the importance of MATLAB for biological simulations in nanomedicine, this wide-ranging survey of computational nanotechnology concludes by discussing future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.
Author : Duangkamon Baowan,Barry J Cox,Tamsyn A Hilder,James M Hill,Ngamta Thamwattana
Publisher : William Andrew
Page : 386 pages
File Size : 40,8 Mb
Release : 2017-02-12
Category : Science
ISBN : 9780128124642
Modelling and Mechanics of Carbon-based Nanostructured Materials sets out the principles of applied mathematical modeling in the topical area of nanotechnology. It is purposely designed to be self-contained, giving readers all the necessary modeling principles required for working with nanostructures. The unique physical properties observed at the nanoscale are often counterintuitive, sometimes astounding researchers and thus driving numerous investigations into their special properties and potential applications. Typically, existing research has been conducted through experimental studies and molecular dynamics simulations. This book goes beyond that to provide new avenues for study and review. Explores how modeling and mechanical principles are applied to better understand the behavior of carbon nanomaterials Clearly explains important models, such as the Lennard-Jones potential, in a carbon nanomaterials context Includes worked examples and exercises to help readers reinforce what they have read
Author : Stefan T. Bromley,Scott M. Woodley
Publisher : Elsevier
Page : 351 pages
File Size : 54,6 Mb
Release : 2018-09-12
Category : Science
ISBN : 9780081022757
Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. Explores how computational modelling can be successfully applied at the nanoscale level Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications
Author : Snehanshu Pal,Bankim Chandra Ray
Publisher : CRC Press
Page : 334 pages
File Size : 52,7 Mb
Release : 2020-04-28
Category : Mathematics
ISBN : 9780429672453
Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior studies carried out using molecular dynamics simulations, which provide contributory research findings toward progress in the field of NS material technology.
Author : Sarhan M. Musa
Publisher : CRC Press
Page : 640 pages
File Size : 54,7 Mb
Release : 2017-12-19
Category : Science
ISBN : 9781439893265
Computational Finite Element Methods in Nanotechnology demonstrates the capabilities of finite element methods in nanotechnology for a range of fields. Bringing together contributions from researchers around the world, it covers key concepts as well as cutting-edge research and applications to inspire new developments and future interdisciplinary research. In particular, it emphasizes the importance of finite element methods (FEMs) for computational tools in the development of efficient nanoscale systems. The book explores a variety of topics, including: A novel FE-based thermo-electrical-mechanical-coupled model to study mechanical stress, temperature, and electric fields in nano- and microelectronics The integration of distributed element, lumped element, and system-level methods for the design, modeling, and simulation of nano- and micro-electromechanical systems (N/MEMS) Challenges in the simulation of nanorobotic systems and macro-dimensions The simulation of structures and processes such as dislocations, growth of epitaxial films, and precipitation Modeling of self-positioning nanostructures, nanocomposites, and carbon nanotubes and their composites Progress in using FEM to analyze the electric field formed in needleless electrospinning How molecular dynamic (MD) simulations can be integrated into the FEM Applications of finite element analysis in nanomaterials and systems used in medicine, dentistry, biotechnology, and other areas The book includes numerous examples and case studies, as well as recent applications of microscale and nanoscale modeling systems with FEMs using COMSOL Multiphysics® and MATLAB®. A one-stop reference for professionals, researchers, and students, this is also an accessible introduction to computational FEMs in nanotechnology for those new to the field.
Author : M. A. Korepanov,A. M. Lipanov,Gennady E. Zaikov,A. K. Haghi
Publisher : CRC Press
Page : 374 pages
File Size : 52,7 Mb
Release : 2015-06-10
Category : Science
ISBN : 9781498709545
This important book presents a valuable collection of new research and new trends in nanomaterials, mesoscopy, quantum chemistry, and chemical physics processes. It highlights the development of nanomaterials as well as investigation of combustion and explosion processes. It highlights new trends in processes and methods of the treatment of polymeric materials and also covers material modification, including super small quantities of metal/carbon nanocomposites as well as new information on the modeling of processes and quantum calculations. Nonlinear kinetic appearances and their applications are highlighted as well. The chapters are divided into three major sections: computational modeling, surface and interface investigations, and nanochemistry, nanomaterials, and nanostructured materials.
Author : Kun Zhou
Publisher : CRC Press
Page : 468 pages
File Size : 40,5 Mb
Release : 2019-07-17
Category : Technology & Engineering
ISBN : 9781351123570
Carbon Nanomaterials: Modeling, Design, and Applications provides an in-depth review and analysis of the most popular carbon nanomaterials, including fullerenes, carbon nanotubes, graphene and novel carbon nanomaterial-based membranes and thin films, with emphasis on their modeling, design and applications. This book provides basic knowledge of the structures, properties and applications of carbon-based nanomaterials. It illustrates the fundamental structure-property relationships of the materials in both experimental and modeling aspects, offers technical guidance in computational simulation of nanomaterials, and delivers an extensive view on current achievements in research and practice, while presenting new possibilities in the design and usage of carbon nanomaterials. This book is aimed at both undergraduate and graduate students, researchers, designers, professors, and professionals within the fields of materials science and engineering, mechanical engineering, applied physics, and chemical engineering.
Author : Perla Balbuena,Jorge M. Seminario
Publisher : Elsevier
Page : 328 pages
File Size : 54,5 Mb
Release : 2006-11-02
Category : Technology & Engineering
ISBN : 0080466834
Over the past few decades, several approaches have been developed for designing nano-structured or molecularly-structured materials. These advances have revolutionized practically all fields of science and engineering, providing an additional design variable, the feature size of the nano-structures, which can be tailored to provide new materials with very special characteristics. Nanomaterials: Design and Simulation explores the role that such advances have made toward a rational design of nanostructures and covers a variety of methods from ab initio electronic structure techniques, ab initio molecular dynamics, to classical molecular dynamics, also being complemented by coarse-graining and continuum methods. Also included is an overview of how the development of these computational tools has enabled the possibility of exploring nanoscopic details and using such information for the prediction of physical and chemical properties that are not always possible to be obtained experimentally. * Provides an overview of approaches that have been developed for designing nano-structured or molecularly-structured materials. * This volume covers several aspects of the simulation and design of nanomaterials analyzed by a selected group of active researchers in the field. * Looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties
Author : Carlo Massobrio,Hervé Bulou,Christine Goyhenex
Publisher : Springer
Page : 371 pages
File Size : 42,6 Mb
Release : 2010-01-19
Category : Technology & Engineering
ISBN : 9783642046506
Understanding the structural organization of materials at the atomic scale is a lo- standing challenge of condensed matter physics and chemistry. By reducing the size of synthesized systems down to the nanometer, or by constructing them as collection of nanoscale size constitutive units, researchers are faced with the task of going beyond models and interpretations based on bulk behavior. Among the wealth of new materials having in common a “nanoscale” ngerprint, one can encounter systems intrinsically extending to a few nanometers (clusters of various compo- tions), systems featuring at least one spatial dimension not repeated periodically in space and assemblies of nanoscale grains forming extended compounds. For all these cases, there is a compelling need of an atomic-scale information combining knowledge of the topology of the system and of its bonding behavior, based on the electronic structure and its interplay with the atomic con gurations. Recent dev- opments in computer architectures and progresses in available computational power have made possible the practical realization of a paradygma that appeared totally unrealistic at the outset of computer simulations in materials science. This consists inbeing able to parallel (at least inprinciple) any experimental effort by asimulation counterpart, this occurring at the scale most appropriate to complement and enrich the experiment.
Author : Vladimír Kompiš
Publisher : Springer Science & Business Media
Page : 300 pages
File Size : 43,7 Mb
Release : 2010-02-18
Category : Technology & Engineering
ISBN : 9781402069758
This book presents new results in the knowledge and simulations for composite nano-materials. It includes selected, extended papers presented in the thematic ECCOMAS conference on Composites with Micro- and Nano-Structure (CMNS) – Computational Modelling and Experiments. It contains atomistic and continuum numerical methods and experimental validation for composite materials reinforced with particles or fibres, porous materials, homogenization and other important topics.
Author : Pierre Deymier,Keith Runge,Krishna Muralidharan
Publisher : Springer
Page : 300 pages
File Size : 55,9 Mb
Release : 2015-11-25
Category : Science
ISBN : 9783319245294
This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges. The chapters are written by not only pioneers in the fields of computational materials chemistry and materials science, but also experts in multi-scale modeling and simulation as applied to materials engineering. Pedagogical introductions to the different topics and continuity between the chapters are provided to ensure the appeal to a broad audience and to address the applicability of integrated computational materials science and engineering for solving real-world problems.
