Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs write by Sumit Sharma. This book was released on 2019-08-09. Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs available in PDF, EPUB and Kindle. 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
Theoretical and Computational Chemistry Aspects
Theoretical and Computational Chemistry Aspects - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Theoretical and Computational Chemistry Aspects write by Ponnadurai Ramasami. This book was released on 2021-10-25. Theoretical and Computational Chemistry Aspects available in PDF, EPUB and Kindle. 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
Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites write by Sumit Sharma. This book was released on 2021-02-22. Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites available in PDF, EPUB and Kindle. 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 Highlights the potential of nanocomposites for defense and space applications Perfect for materials scientists, materials engineers, polymer scientists, and mechanical engineers, Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites is also a must-have reference for computer simulation scientists seeking to improve their understanding of reinforced polymer nanocomposites.
Computational Drug Discovery for Emerging Viral Infections
Computational Drug Discovery for Emerging Viral Infections - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational Drug Discovery for Emerging Viral Infections write by Sinosh Skariyachan. This book was released on 2023-12-05. Computational Drug Discovery for Emerging Viral Infections available in PDF, EPUB and Kindle.
Composite Materials
Composite Materials - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Composite Materials write by Sumit Sharma. This book was released on 2021-03-28. Composite Materials available in PDF, EPUB and Kindle. 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.
