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

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

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  • Author : Sumit Sharma
  • Publisher : Elsevier
  • Pages : 365 pages
  • ISBN : 0128169559
  • Rating : 4/5 from 21 reviews
CLICK HERE TO GET THIS BOOKMolecular 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 : 09 August 2019
GET THIS BOOKMolecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs

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

Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites
  • Author : Sumit Sharma
  • Publisher : CRC Press
  • Release : 23 September 2019
GET THIS BOOKMetallic Glass-Based Nanocomposites

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

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  • Author : Ponnadurai Ramasami
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release : 25 October 2021
GET THIS BOOKTheoretical and Computational Chemistry Aspects

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.

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  • Author : Sumit Sharma
  • Publisher : John Wiley & Sons
  • Release : 22 February 2021
GET THIS BOOKMechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites

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

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  • Author : Sumit Sharma
  • Publisher : CRC Press
  • Release : 11 March 2021
GET THIS BOOKComposite Materials

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

Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites
  • Author : Sumit Sharma
  • Publisher : CRC Press
  • Release : 23 September 2019
GET THIS BOOKMetallic Glass-Based Nanocomposites

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

Recent Advances in Computational Mechanics and Simulations

Recent Advances in Computational Mechanics and Simulations
  • Author : Sandip Kumar Saha,Mousumi Mukherjee
  • Publisher : Springer Nature
  • Release : 13 November 2020
GET THIS BOOKRecent Advances in Computational Mechanics and Simulations

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

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  • Author : Mark S. Kemp
  • Publisher : Nova Science Publishers
  • Release : 24 January 2022
GET THIS BOOKAn Introduction to Molecular Dynamics

"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

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  • Author : Dev Bukhsh Singh,Timir Tripathi
  • Publisher : Springer Nature
  • Release : 02 July 2020
GET THIS BOOKFrontiers in Protein Structure, Function, and Dynamics

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

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  • Author : Kewal K. Jain
  • Publisher : Springer Science & Business Media
  • Release : 07 March 2008
GET THIS BOOKDrug Delivery Systems

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.

Nanotechnology for Hematology, Blood Transfusion, and Artificial Blood

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  • Author : Adil Denizli,Tuan Anh Nguyen,Rajan Mariappan,Mohammad Feroz Alam,Khaliqur Rahman
  • Publisher : Elsevier
  • Release : 28 September 2021
GET THIS BOOKNanotechnology for Hematology, Blood Transfusion, and Artificial Blood

Nanotechnology for Hematology, Blood Transfusion, and Artificial Blood outlines the fundamental design concepts and emerging applications of nanotechnology in hematology, blood transfusion and artificial blood. This book is an important reference source for materials scientists, engineers and biomedical scientists who are looking to increase their understanding of how nanotechnology can lead to more efficient blood treatments. Sections focus on how nanotechnology could offer new routes to address challenging and pressing issues facing rare blood diseases and disorders and how nanomaterials

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  • Author : Siegfried Schmauder,Immanuel Schäfer
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release : 22 August 2016
GET THIS BOOKMultiscale Materials Modeling

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 (

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  • Author : Wolfgang Unger,Ing. V. -D. Hodoroaba,Alex Shard
  • Publisher : Unknown Publisher
  • Release : 30 September 2019
GET THIS BOOKCharacterization of Nanoparticles

Characterization of Nanoparticles: Measurement Processes for Nanoparticles surveys this fast growing field, including established methods for the physical and chemical characterization of nanoparticles. The book focuses on sample preparation issues (including potential pitfalls), with measurement procedures described in detail. In addition, the book explores data reduction, including the quantitative evaluation of the final result and its uncertainty of measurement. The results of published inter-laboratory comparisons are referred to, along with the availability of reference materials necessary for instrument calibration and

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  • Author : Roham Rafiee
  • Publisher : Elsevier
  • Release : 06 October 2017
GET THIS BOOKCarbon Nanotube-Reinforced Polymers

Carbon Nanotube-Reinforced Polymers: From Nanoscale to Macroscale addresses the advances in nanotechnology that have led to the development of a new class of composite materials known as CNT-reinforced polymers. The low density and high aspect ratio, together with their exceptional mechanical, electrical and thermal properties, render carbon nanotubes as a good reinforcing agent for composites. In addition, these simulation and modeling techniques play a significant role in characterizing their properties and understanding their mechanical behavior, and are thus discussed and