Molecular Dynamics Simulation of Nanostructured Materials

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Author :
Publisher : CRC Press
ISBN 13 : 0429672454
Total Pages : 334 pages
Book Rating : 4.4/5 (296 download)

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Book Synopsis Molecular Dynamics Simulation of Nanostructured Materials by : Snehanshu Pal

Download or read book Molecular Dynamics Simulation of Nanostructured Materials written by Snehanshu Pal and published by CRC Press. This book was released on 2020-04-28 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Molecular Dynamics Simulation of Nanostructured Materials

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Author :
Publisher : CRC Press
ISBN 13 : 0429670966
Total Pages : 305 pages
Book Rating : 4.4/5 (296 download)

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Book Synopsis Molecular Dynamics Simulation of Nanostructured Materials by : Snehanshu Pal

Download or read book Molecular Dynamics Simulation of Nanostructured Materials written by Snehanshu Pal and published by CRC Press. This book was released on 2020-05-15 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Nanomaterials: Design and Simulation

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Author :
Publisher : Elsevier
ISBN 13 : 0080466834
Total Pages : 329 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Nanomaterials: Design and Simulation by : Perla Balbuena

Download or read book Nanomaterials: Design and Simulation written by Perla Balbuena and published by Elsevier. This book was released on 2006-11-02 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs

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Author :
Publisher : Elsevier
ISBN 13 : 0128169559
Total Pages : 368 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs by : Sumit Sharma

Download or read book Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs written by Sumit Sharma and published by Elsevier. This book was released on 2019-08-09 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also providing real-world examples that show when each should be used. The latter two of these are open-source codes which can be used for modeling at no cost. Several case studies how each software package is used to predict various properties of nanocomposites, including metal-matrix, polymer-matrix and ceramic-matrix based nanocomposites. Properties explored include mechanical, thermal, optical and electrical properties. This is the first book that explores methodologies for using Materials Studio, Lammps and Gromacs in the same place. It will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. - Gives a detailed explanation of basic commands and modules of Materials Studio, Lammps and Gromacs - Shows how Materials Studio, Lammps and Gromacs predict mechanical, thermal, electrical and optical properties of nanocomposites - Uses case studies to show which software should be used to solve a variety of nanoscale modeling problems

Molecular Modelling and Synthesis of Nanomaterials

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Author :
Publisher : Springer Nature
ISBN 13 : 3030327264
Total Pages : 598 pages
Book Rating : 4.0/5 (33 download)

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Book Synopsis Molecular Modelling and Synthesis of Nanomaterials by : Ihsan Boustani

Download or read book Molecular Modelling and Synthesis of Nanomaterials written by Ihsan Boustani and published by Springer Nature. This book was released on 2020-07-14 with total page 598 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents nanomaterials as predicted by computational modelling and numerical simulation tools, and confirmed by modern experimental techniques. It begins by summarizing basic theoretical methods, then giving both a theoretical and experimental treatment of how alkali metal clusters develop into nanostructures, as influenced by the cluster's "magic number" of atoms. The book continues with a discussion of atomic clusters and nanostructures, focusing primarily on boron and carbon, exploring, in detail, the one-, two-, and three-dimensional structures of boron and carbon, and describing their myriad potential applications in nanotechnology, from nanocoating and nanosensing to nanobatteries with high borophene capacity. The broad discussion of computational modelling as well as the specific applications to boron and carbon, make this book an essential reference resource for materials scientists in this field of research.

Molecular Dynamics Simulation

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Author :
Publisher : Academic Press
ISBN 13 : 0128166169
Total Pages : 375 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Molecular Dynamics Simulation by : Kun Zhou

Download or read book Molecular Dynamics Simulation written by Kun Zhou and published by Academic Press. This book was released on 2022-02-10 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches. The implementation of MD simulation and its application to various aspects of materials science and engineering including mechanical, thermal, mass transportation, and physical/chemical reaction problems are illustrated. Innovative modeling techniques that apply MD to explore the mechanics of typical nanomaterials and nanostructures and to characterize crystalline, amorphous, and liquid systems are also presented. The rich research experience of the authors in MD simulation will ensure that the readers are provided with both an in-depth understanding of MD simulation and clear technical guidance. - Provides a comprehensive overview of the underlying theories of molecular dynamics (MD) simulation - Presents application-based examples pertaining to a broad range of mechanical, thermal, and mass transport problems - Explores innovative modeling techniques for simulating typical nanomaterials and nanostructures and for characterizing crystalline, amorphous, and liquid systems

Multiscale Simulation Methods for Nanomaterials

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 047019166X
Total Pages : 300 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis Multiscale Simulation Methods for Nanomaterials by : Richard B. Ross

Download or read book Multiscale Simulation Methods for Nanomaterials written by Richard B. Ross and published by John Wiley & Sons. This book was released on 2008-02-04 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, that delved into the latest methodologies and applications for largescale, multiscale, and mesoscale modeling and simulation. It presents real-world applications of simulated and synthesized materials, including organic-, inorganic-, bio-, and nanomaterials, and helps readers determine the best method for their simulation. It gets novices up to speed quickly and helps experienced practitioners discover novel approaches and alternatives.

NanoBioMaterials

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Author :
Publisher : CRC Press
ISBN 13 : 1351138642
Total Pages : 0 pages
Book Rating : 4.3/5 (511 download)

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Book Synopsis NanoBioMaterials by : Bhupinder Singh

Download or read book NanoBioMaterials written by Bhupinder Singh and published by CRC Press. This book was released on 2018-06-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present book volume presents a holistic view of the aspects of nanobiomaterials incl. their stellar merits and limitations, applications in diverse fields, their futuristic promise in the fields of biomedical science and drug delivery. The federal & regulatory issues on the usage of nanobiomaterials have been assigned due consideration.

Molecular Dynamics Simulation of Nanostructured Materials

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Author :
Publisher : CRC Press
ISBN 13 : 9780367029821
Total Pages : 314 pages
Book Rating : 4.0/5 (298 download)

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Book Synopsis Molecular Dynamics Simulation of Nanostructured Materials by : Snehanshu Pal

Download or read book Molecular Dynamics Simulation of Nanostructured Materials written by Snehanshu Pal and published by CRC Press. This book was released on 2020-05-12 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Atomistic Modeling of Materials Failure

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 0387764267
Total Pages : 547 pages
Book Rating : 4.3/5 (877 download)

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Book Synopsis Atomistic Modeling of Materials Failure by : Markus J. Buehler

Download or read book Atomistic Modeling of Materials Failure written by Markus J. Buehler and published by Springer Science & Business Media. This book was released on 2008-08-07 with total page 547 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biological materials. The overview includes computational methods and techniques operating at the atomic scale, and describes how these techniques can be used to model cracks and other deformation mechanisms. The book aims to make new molecular modeling techniques available to a wider community.

Applied Nanoindentation in Advanced Materials

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Publisher : John Wiley & Sons
ISBN 13 : 1119084490
Total Pages : 704 pages
Book Rating : 4.1/5 (19 download)

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Book Synopsis Applied Nanoindentation in Advanced Materials by : Atul Tiwari

Download or read book Applied Nanoindentation in Advanced Materials written by Atul Tiwari and published by John Wiley & Sons. This book was released on 2017-10-30 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research in the area of nanoindentation has gained significant momentum in recent years, but there are very few books currently available which can educate researchers on the application aspects of this technique in various areas of materials science. Applied Nanoindentation in Advanced Materials addresses this need and is a comprehensive, self-contained reference covering applied aspects of nanoindentation in advanced materials. With contributions from leading researchers in the field, this book is divided into three parts. Part one covers innovations and analysis, and parts two and three examine the application and evaluation of soft and ceramic-like materials respectively. Key features: A one stop solution for scholars and researchers to learn applied aspects of nanoindentation Contains contributions from leading researchers in the field Includes the analysis of key properties that can be studied using the nanoindentation technique Covers recent innovations Includes worked examples Applied Nanoindentation in Advanced Materials is an ideal reference for researchers and practitioners working in the areas of nanotechnology and nanomechanics, and is also a useful source of information for graduate students in mechanical and materials engineering, and chemistry. This book also contains a wealth of information for scientists and engineers interested in mathematical modelling and simulations related to nanoindentation testing and analysis.

Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

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Author :
Publisher :
ISBN 13 :
Total Pages : 24 pages
Book Rating : 4.:/5 (317 download)

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Book Synopsis Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems by : Thomas S. Gates

Download or read book Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems written by Thomas S. Gates and published by . This book was released on 2003 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Molecular Dynamics of Nanostructures and Nanoionics

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Author :
Publisher : CRC Press
ISBN 13 : 1000066800
Total Pages : 314 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Molecular Dynamics of Nanostructures and Nanoionics by : Junko Habasaki

Download or read book Molecular Dynamics of Nanostructures and Nanoionics written by Junko Habasaki and published by CRC Press. This book was released on 2020-11-30 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanostructured materials with multiple components and complex structures are the current focus of research and are expected to develop further for material designs in many applications in electrochemical, colloidal, medical, pharmaceutical, and several other fields. This book discusses complex nanostructured systems exemplified by nanoporous silicates, spontaneously formed gels from silica-nanocolloidal solutions, and related systems, and examines them using molecular dynamics simulations. Nanoporous materials, nanocolloidal systems, and gels are useful in many applications and can be used in electric devices and storage, and for gas, ion, and drug delivery. The book gives an overview of the history, current status, and frontiers of the field. It also discusses the fundamental aspects related to the common behaviors of some of these systems and common analytical methods to treat them.

Advances in Nanostructured Materials

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Publisher : Springer Nature
ISBN 13 : 9811683913
Total Pages : 439 pages
Book Rating : 4.8/5 (116 download)

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Book Synopsis Advances in Nanostructured Materials by : Bibhu Prasad Swain

Download or read book Advances in Nanostructured Materials written by Bibhu Prasad Swain and published by Springer Nature. This book was released on 2022-03-30 with total page 439 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents recent advances in nanostructured materials. It describes the characterization of nanomaterials, their preparation methods and performance testing techniques; the design and development of nano-scale devices; and the applications of nanomaterials, with examples taken from different industries, such as energy, bioengineering and medicine. The book is broadly divided into sections such as nanostructure semiconductor materials for device applications, nanostructured ferroelectric and ferromagnetic materials.. The topics covered include experimental approaches of device fabrication, photovoltaics and supercapacitors applications, etc. Given the contents, the book will be useful for students, researchers, and professionals working in the area of nanotechnology and nanomaterials.

Modeling, Characterization and Production of Nanomaterials

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Author :
Publisher : Elsevier
ISBN 13 : 1782422358
Total Pages : 555 pages
Book Rating : 4.7/5 (824 download)

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Book Synopsis Modeling, Characterization and Production of Nanomaterials by :

Download or read book Modeling, Characterization and Production of Nanomaterials written by and published by Elsevier. This book was released on 2015-03-17 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nano-scale materials have unique electronic, optical, and chemical properties which make them attractive for a new generation of devices. Part one of Modeling, Characterization, and Production of Nanomaterials: Electronics, Photonics and Energy Applications covers modeling techniques incorporating quantum mechanical effects to simulate nanomaterials and devices, such as multiscale modeling and density functional theory. Part two describes the characterization of nanomaterials using diffraction techniques and Raman spectroscopy. Part three looks at the structure and properties of nanomaterials, including their optical properties and atomic behaviour. Part four explores nanofabrication and nanodevices, including the growth of graphene, GaN-based nanorod heterostructures and colloidal quantum dots for applications in nanophotonics and metallic nanoparticles for catalysis applications. Comprehensive coverage of the close connection between modeling and experimental methods for studying a wide range of nanomaterials and nanostructures Focus on practical applications and industry needs, supported by a solid outlining of theoretical background Draws on the expertise of leading researchers in the field of nanomaterials from around the world

Molecular Dynamics for Materials Modeling

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Author :
Publisher : CRC Press
ISBN 13 : 1003859364
Total Pages : 168 pages
Book Rating : 4.0/5 (38 download)

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Book Synopsis Molecular Dynamics for Materials Modeling by : Snehanshu Pal

Download or read book Molecular Dynamics for Materials Modeling written by Snehanshu Pal and published by CRC Press. This book was released on 2024-03-27 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book focuses on the correlation of mechanical behavior with structural evaluation and the underlying mechanisms through molecular dynamics (MD) techniques using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) platform. It provides representative examples of deformation behavior studies carried out using MD simulations through the LAMMPS platform, which provide contributory research findings toward the field of material technology. It also gives a general idea about the architecture of the coding used in LAMMPS and basic information about the syntax. Features: Provides a fundamental understanding of molecular dynamics simulation through LAMMPS Includes training on how to write LAMMPS input file scripts Discusses basics of molecular dynamics and fundamentals of nanoscale deformation behavior Explores molecular statics and Monte Carlo simulation technique Reviews key syntax implemented during simulation runs in LAMMPS, along with their functions This book is focused on researchers and graduate students in materials science, metallurgy, and mechanical engineering.

Nanostructured Materials

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Author :
Publisher : William Andrew
ISBN 13 : 0815518420
Total Pages : 785 pages
Book Rating : 4.8/5 (155 download)

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Book Synopsis Nanostructured Materials by : Carl C. Koch

Download or read book Nanostructured Materials written by Carl C. Koch and published by William Andrew. This book was released on 2006-12-01 with total page 785 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanostructured materials are one of the highest profile classes of materials in science and engineering today, and will continue to be well into the future. Potential applications are widely varied, including washing machine sensors, drug delivery devices to combat avian flu, and more efficient solar panels. Broad and multidisciplinary, the field includes multilayer films, atomic clusters, nanocrystalline materials, and nanocomposites having remarkable variations in fundamental electrical, optic, and magnetic properties.Nanostructured Materials: Processing, Properties and Applications, 2nd Edition is an extensive update to the exceptional first edition snapshot of this rapidly advancing field. Retaining the organization of the first edition, Part 1 covers the important synthesis and processing methods for the production of nanocrystalline materials. Part 2 focuses on selected properties of nanostructured materials. Potential or existing applications are described as appropriate throughout the book. The second edition has been updated throughout for the latest advances and includes two additional chapters.