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

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

  • Author : Sumit Sharma
  • Publisher : Elsevier
  • Release Date : 2019-08-09
  • Genre: Technology & Engineering
  • Pages : 365
  • ISBN 10 : 9780128169551

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

Metallic Glass Based Nanocomposites Book

Metallic Glass Based Nanocomposites

  • Author : Sumit Sharma
  • Publisher : CRC Press
  • Release Date : 2019-09-23
  • Genre: Technology & Engineering
  • Pages : 152
  • ISBN 10 : 9780429664090

Metallic Glass Based Nanocomposites Excerpt :

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.

Theoretical and Computational Chemistry Aspects Book

Theoretical and Computational Chemistry Aspects

  • Author : Ponnadurai Ramasami
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release Date : 2021-10-25
  • Genre: Science
  • Pages : 210
  • ISBN 10 : 9783110739763

Theoretical and Computational Chemistry Aspects Excerpt :

Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) – Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects.

Mechanics of Particle  and Fiber Reinforced Polymer Nanocomposites Book

Mechanics of Particle and Fiber Reinforced Polymer Nanocomposites

  • Author : Sumit Sharma
  • Publisher : John Wiley & Sons
  • Release Date : 2021-02-22
  • Genre: Technology & Engineering
  • Pages : 320
  • ISBN 10 : 9781119653639

Mechanics of Particle and Fiber Reinforced Polymer Nanocomposites Excerpt :

Learn to model your own problems for predicting the properties of polymer-based composites Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites: Nanoscale to Continuum Simulations provides readers with a thorough and up-to-date overview of nano, micro, and continuum approaches for the multiscale modeling of polymer-based composites. Covering nanocomposite development, theoretical models, and common simulation methods, the text includes a variety of case studies and scripting tutorials that enable readers to apply and further develop the supplied simulations. The book describes the foundations of molecular dynamics and continuum mechanics methods, guides readers through the basic steps required for multiscale modeling of any material, and correlates the results between the experimental and theoretical work performed. Focused primarily on nanocomposites, the methods covered in the book are applicable to various other materials such as carbon nanotubes, polymers, metals, and ceramics. Throughout the book, readers are introduced to key topics of relevance to nanocomposite materials and structures—supported by journal articles that discuss recent developments in modeling techniques and in the prediction of mechanical and thermal properties. This timely, highly practical resource: Explains the molecular dynamics (MD) simulation procedure for nanofiber and nanoparticle reinforced polymer composites Compares results of experimental and theoretical results from mechanical models at different length scales Covers different types of fibers and matrix materials that constitute composite materials, including glass, boron, carbon, and Kevlar Reviews models that predict the stiffness of short-fiber composites, including the self-consistent model for finite-length fibers, bounding models, and the Halpin-Tsai equation Describes various molecular modeling methods such as Monte Carlo, Brownian dynamics, dissipative particle dynamics, and lattice Boltzmann methods Highl

Composite Materials Book

Composite Materials

  • Author : Sumit Sharma
  • Publisher : CRC Press
  • Release Date : 2021-03-11
  • Genre: Technology & Engineering
  • Pages : 632
  • ISBN 10 : 9781000352160

Composite Materials Excerpt :

Composite materials find diverse applications in areas including aerospace, automotive, architecture, energy, marine and military. This comprehensive textbook discusses three important aspects including manufacturing, mechanics and dynamic mechanical analysis of composites. The textbook comprehensively presents fundamental concepts of composites, manufacturing techniques and advanced topics including as advances in composite materials in various fields, viscoelastic behavior of composites, toughness of composites and Nano mechanics of composites in a single volume. Topics such as polymer matrix composites, metal matrix composites, ceramic matrix composites, micromechanical behavior of a lamina, micromechanics and nanomechanics are discussed in detail. Aimed at senior undergraduate and graduate students for a course on composite materials in the fields of mechanical engineering, automobile engineering and electronics engineering, this book: Discusses mechanics and manufacturing techniques of composite materials in a single volume. Explains viscoelastic behavior of composites in a comprehensive manner. Covers fatigue, creep and effect of thermal stresses on composites. Discusses concepts including bending, buckling and vibration of laminated plates in detail. Explains dynamic mechanical analysis (DMA) of composites.

Recent Advances in Computational Mechanics and Simulations Book

Recent Advances in Computational Mechanics and Simulations

  • Author : Sandip Kumar Saha
  • Publisher : Springer Nature
  • Release Date : 2020-11-13
  • Genre: Technology & Engineering
  • Pages : 658
  • ISBN 10 : 9789811583155

Recent Advances in Computational Mechanics and Simulations Excerpt :

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.

An Introduction to Molecular Dynamics Book

An Introduction to Molecular Dynamics

  • Author : Mark S. Kemp
  • Publisher : Nova Science Publishers
  • Release Date : 2019
  • Genre: Science
  • Pages : 184
  • ISBN 10 : 1536160555

An Introduction to Molecular Dynamics Excerpt :

"In the opening chapter of An Introduction to Molecular Dynamics, the method of statistical geometry, based on the construction of a Voronoi polyhedral, is applied to the pattern recognition of atomic environments and to the investigation of the local order in molecular dynamics-simulated materials. Next, the authors discuss the methodology of bimolecular simulations and their advancements, as well as their applications in the field of nanoparticle-biomolecular interactions. The theory of molecular dynamics simulation and some of the recent molecular dynamics methods such as steered molecular dynamics, umbrella sampling, and coarse-grained simulation are also discussed. The use of auxiliary programs in the cases of modified cyclodextrins is discussed. Additionally, results from molecular dynamics studies on cases of inclusion compounds of molecules of different sizes and shapes encapsulated in the same host cyclodextrin have been examined and compared. In closing, the authors discuss the methodology of molecular dynamics simulation with a non-constant force field. In the context of molecular simulations, the term "force field" refers to a set of equations and parameters for the calculation of forces acting on the particles of the system and its potential energy"--

Preparation  Characterization  Properties  and Application of Nanofluid Book

Preparation Characterization Properties and Application of Nanofluid

  • Author : I. M. Mahbubul
  • Publisher : William Andrew
  • Release Date : 2018-09-20
  • Genre: Science
  • Pages : 374
  • ISBN 10 : 9780128132999

Preparation Characterization Properties and Application of Nanofluid Excerpt :

Preparation, Characterization, Properties and Application of Nanofluid begins with an introduction of colloidal systems and their relation to nanofluid. Special emphasis on the preparation of stable nanofluid and the impact of ultrasonication power on nanofluid preparation is also included, as are characterization and stability measurement techniques. Other topics of note in the book include the thermophysical properties of nanofluids as thermal conductivity, viscosity, and density and specific heat, including the figure of merit of properties. In addition, different parameters, like particle type, size, concentration, liquid type and temperature are discussed based on experimental results, along with a variety of other important topics. The available model and correlations used for nanofluid property calculation are also included. Provides readers with tactics on nanofluid preparation methods, including how to improve their stability Explores the effect of preparation method and stability on thermophysical and rheological properties of nanofluids Assesses the available model and correlations used for nanofluid property calculation

Tatar Empire Book

Tatar Empire

  • Author : Danielle Ross
  • Publisher : Unknown
  • Release Date : 2020-02-04
  • Genre: History
  • Pages : 288
  • ISBN 10 : 9780253045737

Tatar Empire Excerpt :

In the 1700s, Kazan Tatar (Muslim scholars of Kazan) and scholarly networks stood at the forefront of Russia's expansion into the South Urals, western Siberia, and the Kazakh steppe. It was there that the Tatars worked with Russian agents, established settlements, and spread their own religious and intellectual cuture that helped shaped their identity in the 19th and early 20th centuries. Kazan Tatars profited economically from Russia's commercial and military expansion to Muslim lands and began to present themselves as leaders capable of bringing Islamic modernity to the rest of Russia's Muslim population. Danielle Ross bridges the history of Russia's imperial project with the history of Russia's Muslims by exploring the Kazan Tatars as participants in the construction of the Russian empire. Ross focuses on Muslim clerical and commercial networks to reconstruct the ongoing interaction among Russian imperial policy, nonstate actors, and intellectual developments within Kazan's Muslim community and also considers the evolving relationship with Central Asia, the Kazakh steppe, and western China. Tatar Empire offers a more Muslim-centered narrative of Russian empire building, making clear the links between cultural reformism and Kazan Tatar participation in the Russian eastward expansion.

Nanomedicine Manufacturing and Applications Book

Nanomedicine Manufacturing and Applications

  • Author : Francis Verpoort
  • Publisher : Elsevier
  • Release Date : 2021-07-07
  • Genre: Technology & Engineering
  • Pages : 406
  • ISBN 10 : 9780128207734

Nanomedicine Manufacturing and Applications Excerpt :

Nanomedicine explores the modification and enhancement of the properties and performances of typical drugs to treat various diseases. Nano-based medicines have advantages in several ways, such as in nanotherapeutics, nanotheranostics, and nanodiagnostics. Nanomedicine Manufacturing and Applications effectively explores the major manufacturing techniques and applications of nanomaterial-based medicine in the areas of chemotherapy, biochips, insulin pumps, and other treatment methods. This book explains how nanomedicines are developed from nanoparticles as well as their biomedical and other applications related to healthcare. This book is an important reference source for nanoscientists, biomaterials scientists, and biomedical engineers who want to learn more about how nano-based medicines are made and used. Outlines the process of making nanomedicine as well as nanodrug carriers, with a focus on nanomedicine for cancer treatment. Explains the formulation and manufacturing process of nanomedicines, showing how to build these materials. Demonstrates how nano-based medicines are being used to tackle a range of diseases in a way that conventional medicines cannot.

Molecular Dynamics Simulation Book

Molecular Dynamics Simulation

  • Author : J. M. Haile
  • Publisher : Wiley-Interscience
  • Release Date : 1997-03-14
  • Genre: Technology & Engineering
  • Pages : 512
  • ISBN 10 : 047118439X

Molecular Dynamics Simulation Excerpt :

"Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure "This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics "A very useful introduction . . . more interesting to read than the often dry equation-based texts." -Journal of the American Chemical Society Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods that until now have been scattered through the literature of the last 25 years. It reviews elements of sampling theory and discusses how modern notions of chaos and nonlinear dynamics explain the workings of molecular dynamics. Stresses easy-to-use molecules * Provides sample calculations and figures * Includes four complete FORTRAN codes

Multiscale Materials Modeling Book

Multiscale Materials Modeling

  • Author : Siegfried Schmauder
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release Date : 2016-08-22
  • Genre: Science
  • Pages : 346
  • ISBN 10 : 9783110412512

Multiscale Materials Modeling Excerpt :

This book presents current spatial and temporal multiscaling approaches of materials modeling. Recent results demonstrate the deduction of macroscopic properties at the device and component level by simulating structures and materials sequentially on atomic, micro- and mesostructural scales. The book covers precipitation strengthening and fracture processes in metallic alloys, materials that exhibit ferroelectric and magnetoelectric properties as well as biological, metal-ceramic and polymer composites. The progress which has been achieved documents the current state of art in multiscale materials modelling (MMM) on the route to full multi-scaling. Contents: Part I: Multi-time-scale and multi-length-scale simulations of precipitation and strengthening effects Linking nanoscale and macroscale Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulations Multiscale modeling predictions of age hardening curves in Al-Cu alloys Kinetic Monte Carlo modeling of shear-coupled motion of grain boundaries Product Properties of a two-phase magneto-electric composite Part II: Multiscale simulations of plastic deformation and fracture Niobium/alumina bicrystal interface fracture Atomistically informed crystal plasticity model for body-centred cubic iron FE2AT ・ finite element informed atomistic simulations Multiscale fatigue crack growth modeling for welded stiffened panels Molecular dynamics study on low temperature brittleness in tungsten single crystals Multi scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructure Multiscale simulation of the mechanical behavior of nanoparticle-modified polyamide composites Part III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and composites Multiscale Modeling of Nano-Biosensors Finite strain compressive behaviour of CNT/epoxy nanocomposites Peptide

Advances in Cold Plasma Applications for Food Safety and Preservation Book

Advances in Cold Plasma Applications for Food Safety and Preservation

  • Author : Daniela Bermudez-Aguirre
  • Publisher : Academic Press
  • Release Date : 2019-10-12
  • Genre: Technology & Engineering
  • Pages : 410
  • ISBN 10 : 9780128149225

Advances in Cold Plasma Applications for Food Safety and Preservation Excerpt :

Cold plasma is one of the newest technologies tested for food preservation. In the last decade, this novel approach has shown promising results as a disinfectant of food products and packaging materials. Cold plasma is also affordable, waterless, waste-free, and leaves no chemical residue on the product. This exciting new technology is covered thoroughly in Advances in Cold Plasma Applications for Food Preservation. The book presents the basic principles of cold plasma, examples of food products disinfected by cold plasma, and the challenges of using cold plasma to maximize microbial and spore inactivation. Some chapters are devoted to specific applications of the technology, such as the use of cold plasma for space missions. Insights about the required regulations for this technology are also discussed. Written and edited by experts in the field, Advances in Cold Plasma Applications for Food Preservation is aimed at academic researchers, food scientists, and government officials working on disinfection of food products. Covers the basic principles of cold plasma Presents novel information and updated results in microbial, spore, and enzyme inactivation in different food products Explores the use of cold plasma in disinfection of food products, including packaged food and food packaging materials and discuss how some food components are modified Includes the description of some of the current equipment devices and the requirements to design specific food processing systems Investigates specific uses of cold plasma in some applications such as space food Details current regulatory status of cold plasma for food applications

Frontiers in Protein Structure  Function  and Dynamics Book

Frontiers in Protein Structure Function and Dynamics

  • Author : Dev Bukhsh Singh
  • Publisher : Springer
  • Release Date : 2021-07-03
  • Genre: Science
  • Pages : 452
  • ISBN 10 : 981155532X

Frontiers in Protein Structure Function and Dynamics Excerpt :

This book discusses a broad range of basic and advanced topics in the field of protein structure, function, folding, flexibility, and dynamics. Starting with a basic introduction to protein purification, estimation, storage, and its effect on the protein structure, function, and dynamics, it also discusses various experimental and computational structure determination approaches; the importance of molecular interactions and water in protein stability, folding and dynamics; kinetic and thermodynamic parameters associated with protein-ligand binding; single molecule techniques and their applications in studying protein folding and aggregation; protein quality control; the role of amino acid sequence in protein aggregation; muscarinic acetylcholine receptors, antimuscarinic drugs, and their clinical significances. Further, the book explains the current understanding on the therapeutic importance of the enzyme dopamine beta hydroxylase; structural dynamics and motions in molecular motors; role of cathepsins in controlling degradation of extracellular matrix during disease states; and the important structure-function relationship of iron-binding proteins, ferritins. Overall, the book is an important guide and a comprehensive resource for understanding protein structure, function, dynamics, and interaction.

Mooring System Engineering for Offshore Structures Book
Score: 5
From 1 Ratings

Mooring System Engineering for Offshore Structures

  • Author : Kai-Tung Ma
  • Publisher : Gulf Professional Publishing
  • Release Date : 2019-06-04
  • Genre: Science
  • Pages : 350
  • ISBN 10 : 9780128185520

Mooring System Engineering for Offshore Structures Excerpt :

The mooring system is a vital component of various floating facilities in the oil, gas, and renewables industries. However, there is a lack of comprehensive technical books dedicated to the subject. Mooring System Engineering for Offshore Structures is the first book delivering in-depth knowledge on all aspects of mooring systems, from design and analysis to installation, operation, maintenance and integrity management. The book gives beginners a solid look at the fundamentals involved during mooring designs with coverage on current standards and codes, mooring analysis and theories behind the analysis techniques. Advanced engineers can stay up-to-date through operation, integrity management, and practical examples provided. This book is recommended for students majoring in naval architecture, marine or ocean engineering, and allied disciplines in civil or mechanical engineering. Engineers and researchers in the offshore industry will benefit from the knowledge presented to understand the various types of mooring systems, their design, analysis, and operations. Understand the various types of mooring systems and the theories behind mooring analysis Gain practical experience and lessons learned from worldwide case studies Combine engineering fundamentals with practical applications to solve today’s offshore challenges