January 17, 2021

Download Ebook Free Molecular Dynamics Simulation Of Nanocomposites Using BIOVIA Materials Studio, Lammps And Gromacs

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

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs
Author : Sumit Sharma
Publisher : Elsevier
Release Date : 2019-08-09
Category : Technology & Engineering
Total pages :365
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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 Dynamics Simulation of Nanocomposites Using BIOVIA Materials Studio, Lammps and Gromacs

Molecular Dynamics Simulation of Nanocomposites Using BIOVIA Materials Studio, Lammps and Gromacs
Author : Sumit Sharma
Publisher : Micro & Nano Technologies
Release Date : 2019-08-10
Category : Nanocomposites (Materials)
Total pages :365
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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

Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites
Author : Sumit Sharma
Publisher : CRC Press
Release Date : 2019-09-23
Category : Technology & Engineering
Total pages :152
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Metallic Glass-Based Nanocomposites: Molecular Dynamics Study of Properties provides readers with an overview of the most commonly used tools for MD simulation of metallic glass composites and provides all the basic steps necessary for simulating any material on Materials Studio. After reading this book, readers will be able to model their own problems on this tool for predicting the properties of metallic glass composites. This book provides an introduction to metallic glasses with definitions and classifications, provides detailed explanations of various types of composites, reinforcements and matrices, and explores the basic mechanisms of reinforcement-MG interaction during mechanical loading. It explains various models for calculating the thermal conductivity of metallic glass composites and provides examples of molecular dynamics simulations. Aimed at students and researchers, this book caters to the needs of those working in the field of molecular dynamics (MD) simulation of metallic glass composites.

Multifunctional Hybrid Nanomaterials for Sustainable Agri-food and Ecosystems

Multifunctional Hybrid Nanomaterials for Sustainable Agri-food and Ecosystems
Author : Kamel A. Abd-Elsalam
Publisher : Elsevier
Release Date : 2020-04-14
Category : Technology & Engineering
Total pages :730
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Multifunctional Hybrid Nanomaterials for Sustainable Agrifood and Ecosystems shows how hybrid nanomaterials (HNMs) are being used to enhance agriculture, food and environmental science. The book discusses the synthesis and characterization of HNMs before exploring agrifoods and environmental functions. It shows how novel HNMs are being used for the detection and separation of heavy metal ions, for destroying and sensing of insecticides, in managed release fertilizer and pesticide formulations, plant protection, plant promotions, purification, detection, and to control mycotoxins. Further, the book describes the use of silica-based total nanosystems, carbon nanotubes, nanocellulose-based, and polymer nanohybrids for agricultural and biological applications. This book is an important reference source for materials scientists, engineers and food scientists who want to gain a greater understanding on how multifunctional nanomaterials are being used for a range of agricultural and environmental applications. Outlines the major nanomaterial types that are being used in agriculture Explains why the properties of multifunctional nanomaterials are particularly efficient for use in agriculture Assesses the major challenges of using multifunctional nanomaterials on an industrial scale

Fiber-Reinforced Nanocomposites: Fundamentals and Applications

Fiber-Reinforced Nanocomposites: Fundamentals and Applications
Author : Baoguo Han,Sumit Sharma,Tuan Anh Nguyen,Longbiao Li,K. Subrahmanya Bhat
Publisher : Elsevier
Release Date : 2020-03-13
Category : Technology & Engineering
Total pages :614
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Fiber-reinforced Nanocomposites: Fundamentals and Applications explores the fundamental concepts and emerging applications of fiber-reinforced nanocomposites in the automobile, aerospace, transportation, construction, sporting goods, optics, electronics, acoustics and environmental sector. In addition, the book provides a detailed overview of the properties of fiber-reinforced nanocomposites, including discussion on embedding these high-strength fibers in matrices. Due to the mismatch in structure, density, strain and thermal expansion coefficients between matrix and fibers, their thermo-mechanical properties strongly depend not only on the preparative methods, but also on the interaction between reinforcing phase and matrix phase. This book offers a concise overview of these advances and how they are leading to the creation of stronger, more durable classes of nanocomposite materials. Explores the interaction between fiber, nanoreinforcers and matrices at the nanoscale Shows how the properties of fiber-enforced nanocomposites are ideal for use for a variety of consumer products Outlines the major challenges to creating fiber-reinforced nanocomposites effectively

Introduction to Practice of Molecular Simulation

Introduction to Practice of Molecular Simulation
Author : Akira Satoh
Publisher : Elsevier
Release Date : 2010-12-17
Category : Science
Total pages :330
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This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use. Provides tools to develop skills in developing simulations programs Includes sample simulation programs for the reader to use Appendix explains Fortran and C languages in simple terms to allow the non-expert to use them

Drug Delivery Systems

Drug Delivery Systems
Author : Kewal K. Jain
Publisher : Springer Science & Business Media
Release Date : 2008-03-07
Category : Science
Total pages :251
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In this concise and systematic book, a team of experts select the most important, cutting-edge technologies used in drug delivery systems. They take into account significant drugs, new technologies such as nanoparticles, and therapeutic applications. The chapters present step-by-step laboratory protocols following the highly successful Methods in Molecular BiologyTM series format, offering readily reproducible results vital for pharmaceutical physicians and scientists.

Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites
Author : Sumit Sharma
Publisher : CRC Press
Release Date : 2019-09-23
Category : Technology & Engineering
Total pages :152
GET BOOK

Metallic Glass-Based Nanocomposites: Molecular Dynamics Study of Properties provides readers with an overview of the most commonly used tools for MD simulation of metallic glass composites and provides all the basic steps necessary for simulating any material on Materials Studio. After reading this book, readers will be able to model their own problems on this tool for predicting the properties of metallic glass composites. This book provides an introduction to metallic glasses with definitions and classifications, provides detailed explanations of various types of composites, reinforcements and matrices, and explores the basic mechanisms of reinforcement-MG interaction during mechanical loading. It explains various models for calculating the thermal conductivity of metallic glass composites and provides examples of molecular dynamics simulations. Aimed at students and researchers, this book caters to the needs of those working in the field of molecular dynamics (MD) simulation of metallic glass composites.

Molecular Modelling for Beginners

Molecular Modelling for Beginners
Author : Alan Hinchliffe
Publisher : John Wiley & Sons
Release Date : 2011-08-17
Category : Science
Total pages :428
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A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs. Revised with changes in emphasis and presentation to appeal to the modern student.

Recent Advances in Computational Mechanics and Simulations

Recent Advances in Computational Mechanics and Simulations
Author : Sandip Kumar Saha,Mousumi Mukherjee
Publisher : Springer Nature
Release Date : 2020-11-13
Category : Technology & Engineering
Total pages :658
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This volume presents selected papers from the 7th International Congress on Computational Mechanics and Simulation held at IIT Mandi, India. The papers discuss the development of mathematical models representing physical phenomena and applying modern computing methods and simulations to analyse them. The studies cover recent advances in the fields of nano mechanics and biomechanics, simulations of multiscale and multiphysics problems, developments in solid mechanics and finite element method, advancements in computational fluid dynamics and transport phenomena, and applications of computational mechanics and techniques in emerging areas. The volume will be of interest to researchers and academics from civil engineering, mechanical engineering, aerospace engineering, materials engineering/science, physics, mathematics and other disciplines.

The Anomeric Effect

The Anomeric Effect
Author : Eusebio Juaristi,Gabriel Cuevas
Publisher : CRC Press
Release Date : 1994-10-12
Category : Science
Total pages :256
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This book provides a comprehensive review of the structural, conformational, and chemical manifestations of the anomeric effect. In order to present a cogent discussion of this most fundamental and relevant phenomenon, three chapters examine our present understanding of the origin of this conformational effect, based upon a wealth of theoretical and physical data. Equally important, however, are three additional chapters that deal with the general consequences of the stereoelectronic interactions that are associated with the basis of the anomeric effect. The remainder of the book is devoted to new areas of development in the topic-such as differentiation of the endo and exo anomeric interactions, specific analysis of the enthalpic component of anomeric effects, critical evaluation of the kinetics and reverse anomeric effects, discovery of a new substantial effect in second- and lower-row anomeric segments, and others.

Introduction to the Theory of Thermal Neutron Scattering

Introduction to the Theory of Thermal Neutron Scattering
Author : G. L. Squires
Publisher : Cambridge University Press
Release Date : 2012-03-29
Category : Science
Total pages :272
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A long-awaited reprint of the book that has established itself as the classic textbook on neutron scattering. It will be an invaluable introductory text for students taking courses on neutron scattering, as well as for researchers and those who would like to deepen their knowledge on the subject through self-study.

The British Chess Magazine; Volume 16

The British Chess Magazine; Volume 16
Author : Anonymous
Publisher : Franklin Classics Trade Press
Release Date : 2018-10-18
Category :
Total pages :508
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This work has been selected by scholars as being culturally important and is part of the knowledge base of civilization as we know it. This work is in the public domain in the United States of America, and possibly other nations. Within the United States, you may freely copy and distribute this work, as no entity (individual or corporate) has a copyright on the body of the work. Scholars believe, and we concur, that this work is important enough to be preserved, reproduced, and made generally available to the public. To ensure a quality reading experience, this work has been proofread and republished using a format that seamlessly blends the original graphical elements with text in an easy-to-read typeface. We appreciate your support of the preservation process, and thank you for being an important part of keeping this knowledge alive and relevant.

Proteomic Profiling and Analytical Chemistry

Proteomic Profiling and Analytical Chemistry
Author : Pawel Ciborowski,Jerzy Silberring
Publisher : Newnes
Release Date : 2012-12-31
Category : Science
Total pages :264
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Proteomic Profiling and Analytical Chemistry helps scientists without a strong background in analytical chemistry to understand basic analytical principles and apply them to proteomics profiling. In most proteomic profiling experiments, liquid chromatography is used; this method is also used widely in analytical chemistry. This book bridges the gap between overly specialized courses and books in mass spectrometry, proteomics and analytical chemistry. It also helps researchers with an analytical chemistry background to break into the proteomics field. Proteomic Profiling and Analytical Chemistry focuses on practical applications for proteomic research helping readers to design better experiments and to more easily interpret, analyze and validate the resulting data. Experimental aspects such as sample preparation, protein extraction and precipitation, gel electrophoresis, microarrays, dynamics of fluorescent dyes, and more are all covered in detail. Covers the analytical consequences of protein and peptide modifications that may have a profound effect on how and what researchers actually measure Includes practical examples illustrating the importance of problems in quantitation and validation of biomarkers Helps in designing and executing proteomic experiments with sound analytics

Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites

Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites
Author : Sumit Sharma
Publisher : Wiley
Release Date : 2020-12-30
Category : Technology & Engineering
Total pages :300
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This book correlates the properties of polymer-based nanocomposites with mechanical models at different length scales. It discusses the reinforcements with particle and fiber and provides an overview of nanocomposites development, theoretical models and simulation methods. Foundations of molecular dynamics and continuum mechanics methods are laid and comparison between results of experimental and theoretical works is performed. The book also contains case studies and provides scripting tutorials for enthusiasts to exercise simulations and to develop further.