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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 :Unknown
  • Release Date :2019-08-09
  • Total pages :365
  • ISBN : 9780128169551
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Summary : 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 :Unknown
  • Release Date :2019-08-10
  • Total pages :365
  • ISBN : 0128169540
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Summary : 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 :Unknown
  • Release Date :2019-09-23
  • Total pages :152
  • ISBN : 9780429664090
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Summary : 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.

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 :Unknown
  • Release Date :2020-03-13
  • Total pages :614
  • ISBN : 9780128199107
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Summary : 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

Drug Delivery Systems

Drug Delivery Systems
  • Author : Kewal K. Jain
  • Publisher :Unknown
  • Release Date :2008-03-07
  • Total pages :251
  • ISBN : 9781588298911
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Summary : 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.

Introduction to Practice of Molecular Simulation

Introduction to Practice of Molecular Simulation
  • Author : Akira Satoh
  • Publisher :Unknown
  • Release Date :2010-12-17
  • Total pages :330
  • ISBN : 9780123851499
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Summary : 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

The Anomeric Effect

The Anomeric Effect
  • Author : Eusebio Juaristi,Gabriel Cuevas
  • Publisher :Unknown
  • Release Date :1994-10-12
  • Total pages :256
  • ISBN : 0849389410
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Summary : 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.

Molecular Modelling for Beginners

Molecular Modelling for Beginners
  • Author : Alan Hinchliffe
  • Publisher :Unknown
  • Release Date :2011-08-17
  • Total pages :428
  • ISBN : 9781119964810
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Summary : 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.

Introduction to the Theory of Thermal Neutron Scattering

Introduction to the Theory of Thermal Neutron Scattering
  • Author : G. L. Squires
  • Publisher :Unknown
  • Release Date :2012-03-29
  • Total pages :272
  • ISBN : 9781107644069
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Summary : 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.

Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites
  • Author : Sumit Sharma
  • Publisher :Unknown
  • Release Date :2019-09-23
  • Total pages :152
  • ISBN : 9780429664090
GET BOOK HERE

Summary : 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.

Recent Advances in Computational Mechanics and Simulations

Recent Advances in Computational Mechanics and Simulations
  • Author : Sandip Kumar Saha,Mousumi Mukherjee
  • Publisher :Unknown
  • Release Date :2020-11-13
  • Total pages :658
  • ISBN : 9789811583155
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Summary : 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 British Chess Magazine; Volume 16

The British Chess Magazine; Volume 16
  • Author : Anonymous
  • Publisher :Unknown
  • Release Date :2018-10-18
  • Total pages :508
  • ISBN : 0343735792
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Summary : 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 :Unknown
  • Release Date :2012-12-31
  • Total pages :264
  • ISBN : 9780444593917
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Summary : 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 :Unknown
  • Release Date :2020-12-30
  • Total pages :300
  • ISBN : 1119653622
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Summary : 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.

Handbook of Battery Materials

Handbook of Battery Materials
  • Author : Claus Daniel,J. O. Besenhard
  • Publisher :Unknown
  • Release Date :2012-12-21
  • Total pages :1023
  • ISBN : 9783527637195
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Summary : A one-stop resource for both researchers and development engineers, this comprehensive handbook serves as a daily reference, replacing heaps of individual papers. This second edition features twenty percent more content with new chapters on battery characterization, process technology, failure mechanisms and method development, plus updated information on classic batteries as well as entirely new results on advanced approaches. The authors, from such leading institutions as the US National Labs and from companies such as Panasonic and Sanyo, present a balanced view on battery research and large-scale applications. They follow a distinctly materials-oriented route through the entire field of battery research, thus allowing readers to quickly find the information on the particular materials system relevant to their research.

Handbook of Specialty Elastomers

Handbook of Specialty Elastomers
  • Author : Robert C. Klingender
  • Publisher :Unknown
  • Release Date :2008-01-22
  • Total pages :576
  • ISBN : 1420017675
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Summary : Written and edited by experts on specialty elastomers applications in the mechanical and automotive products industries, the Handbook of Specialty Elastomers provides a single source reference for the design of compounds using specialty elastomers. This book defines specialty elastomers as heat-, oil-, fuel-, and solvent-resistant polymers. Each chapter examines individual elastomers in terms of development history, chemical composition, structure, and properties as well as processing methods, applications, and commercially available products. Covering their applications in the rubber, energy, chemicals, and oil industries, the book also discusses the use of antioxidants, antiozonants, vulcanization agents, plasticizers, and process aids for specialty elastomers. The concluding chapter details considerations and relevant processes—such as molding operations—involved in designing application-specific rubber components. The Handbook of Specialty Elastomers provides comprehensive insight into the processes and challenges of designing rubber formulations and specialty elastomeric components.

Adsorption and Diffusion

Adsorption and Diffusion
  • Author : Hellmut G. Karge,Jens Weitkamp
  • Publisher :Unknown
  • Release Date :2008-06-17
  • Total pages :400
  • ISBN : 9783540739661
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Summary : "Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.

Home Schooling... A Pathway to Success

Home Schooling... A Pathway to Success
  • Author : Sumit Sharma
  • Publisher :Unknown
  • Release Date :2020-06-22
  • Total pages :75
  • ISBN : 1230987654XX
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Summary : In this Book, we will discuss homeschooling in detail. If you are homeschooling your child, what difficulties will come? Which board will give consent to your homeschooling kid? What will be the future of your kid? Which company will give job to an unschooled kid? We have tried to capture all such problems and tried to find out the solution of these. Content 1. Phone Call from School Principal ………………………..… (8) a. Meet with Dr Shekhar and knew about Homeschooling 2. 1st Meet with Homeschooling Parents …………………... (11) a. How to develop Critical thinking in your child? 3. 2nd Meetup with Homeschooling Parents ……………... (15) a. Unschooled kids... Are they not Social? b. What about Syllabus? When to stop & how much to educate? c. Will an Indian Organization offer job to homeschoolers? 4. 3rd Meeting in Cafeteria ………………………………………. (21) a. Flexible learning or Structured Learning? b. Which Board will give consent to Homeschoolers? c. 10 Questions before one should start homeschooling 5. 4th Meeting in Cafeteria (With White Board & Marker). (33) a. NIOS or IGCSE, which one is easier? b. A Quick Recap of discussed so far c. Why Homeschooling means Learning Differently? d. Is Structured Leaning important to unschooled kid? e. Hybrid Schooling... Is this like Homeschooling? f. 5 Learning disabilities which differ kid's grasping power: § Dyslexia § Dyscalculia § Dysgraphia § ADHD (Attention Deficit Hyperactivity Disorder) § Processing Deficits g. How to develop empathy in a homeschooling kid? 6. 5th Meetup …………………………………………………………… (53) a. How to develop social skills in homeschooled child? b. Limitations with School time table. c. When is the Good time for study? d. Which curriculum board supports homeschooling? e. Does Homeschooling has any future in India? f. Legalities of homeschooling in India g. Approach & Routine with homeschooling kid. h. How Homeschooling is growing in India? 7. 6th Meetup ……………………………………………………………. (65) a. Is homeschooling an option for differently abled kids only? b. Bright Examples of Homeschoolers c. Case Studies of Homeschooling kids. d. Online Resources for homeschooling parents. e. 8 Step Procedure by a US Homeschooling Parent 8. 7th Meetup under the shed of Neem Tree …………………. (72) a. Which Board is allowing Homeschooling & Eligibility Criteria? b. Homeschooling vs Unschooling c. 3 Concerns for a homeschooling kid d. Conclusion & A new start of the era 9. References ……………………………………......……………………… (75)

Metal-Organic Framework Materials

Metal-Organic Framework Materials
  • Author : Leonard R. MacGillivray,Charles M. Lukehart
  • Publisher :Unknown
  • Release Date :2014-09-19
  • Total pages :592
  • ISBN : 9781118931585
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Summary : Metal-Organic Frameworks (MOFs) are crystalline compoundsconsisting of rigid organic molecules held together and organizedby metal ions or clusters. Special interests in these materialsarise from the fact that many are highly porous and can be used forstorage of small molecules, for example H2 orCO2. Consequently, the materials are ideal candidatesfor a wide range of applications including gas storage, separationtechnologies and catalysis. Potential applications includethe storage of hydrogen for fuel-cell cars, and the removal andstorage of carbon dioxide in sustainable technical processes. MOFsoffer the inorganic chemist and materials scientist a wide range ofnew synthetic possibilities and open the doors to new and excitingbasic research. Metal-Organic Frameworks Materials provides a solid basisfor the understanding of MOFs and insights into new inorganicmaterials structures and properties. The volume also reflectsprogress that has been made in recent years, presenting a widerange of new applications including state-of-the art developmentsin the promising technology for alternative fuels. Thecomprehensive volume investigates structures, symmetry,supramolecular chemistry, surface engineering, recognition,properties, and reactions. The content from this book will be added online to theEncyclopedia of Inorganic and Bioinorganic Chemistry: ahref="http://www.wileyonlinelibrary.com/ref/eibc"http://www.wileyonlinelibrary.com/ref/eibc/a

Light Metals 2020

Light Metals 2020
  • Author : Alan Tomsett
  • Publisher :Unknown
  • Release Date :2020-01-28
  • Total pages :1367
  • ISBN : 9783030364083
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Summary : The Light Metals symposia at the TMS Annual Meeting & Exhibition present the most recent developments, discoveries, and practices in primary aluminum science and technology. The annual Light Metals volume has become the definitive reference in the field of aluminum production and related light metal technologies. The 2020 collection includes papers from the following symposia: • Alumina and Bauxite• Aluminum Alloys, Processing and Characterization• Aluminum Reduction Technology• Cast Shop Technology• Cast Shop Technology: Recycling and Sustainability Joint Session• Electrode Technology for Aluminum Production

Handbook of Plasticizers

Handbook of Plasticizers
  • Author : George Wypych
  • Publisher :Unknown
  • Release Date :2017-01-14
  • Total pages :870
  • ISBN : 9781927885161
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Summary : Handbook of Plasticizers, Third Edition, is an essential professional reference, providing information that enables R&D scientists, production chemists, and engineers the information they need to use plasticizers more effectively, and to avoid certain plasticizers in applications where they may cause health or material durability problems. Plasticizers are vital to the plastics industry, particularly in improving the properties of materials such as PVC. Plasticizers are commonly added to complex mixtures containing a variety of materials, so successful incorporation requires a broad understanding of the mechanisms of plasticizer action, and compatibility with different materials and blends. There is a large selection of commercial plasticizers, and various environmental issues which impact on selection decisions. The book discusses new and historical approaches to the use of plasticizers, explaining mechanisms of plasticizers' action and their behavior in plasticized systems. It goes into detail on the use of plasticizers in a range of specific polymers, polymer blends, and other industrial products. This includes coverage of the impact of plasticizers on processing. George Wypych provides the data and know-how from the most recent sources and updated information required by engineers and scientists working in the plastics industry and the many industry sectors that use plastics in their products. The book covers the uses, advantages, and disadvantages of plasticizers, historical and theoretical background, their effects on process conditions, and health, safety, and environmental issues. Enables materials scientists, chemists and engineers to use plasticizers more effectively, and avoid health and safety or performance risks Includes detailed coverage of the impact of plasticizers on polymers, and processing methods Provides the broad background of information required to select the correct plasticizer for any application Covers the uses, advantages, and disadvantages of plasticizers, including historical and theoretical background