Download An Introduction to Molecular Dynamics Simulation of Polymer Composites
This book offers a practical and comprehensive introduction to molecular dynamics (MD) simulation for students, researchers, and professionals in the scientific community. It demonstrates the use of Materials Studio, a simulation and modeling platform developed by Accelrys, to carry out computational analyses and investigate material properties. The source codes provided throughout the book can be adapted for a variety of modeling tasks and simulation projects.
The book begins by explaining the fundamental principles of molecular dynamics, followed by a detailed examination of different simulation techniques. It then presents a range of case studies focused on nanoscale composite materials, exploring their mechanical, thermal, optical, and electrical characteristics. Perl scripting is also covered in detail, providing readers with useful tools for automating simulation workflows and extending modeling capabilities. The final sections highlight the applications of molecular dynamics across diverse areas of engineering and technology.
Particular attention is given to polymer-matrix nanocomposites and the role of nanoscale reinforcements in enhancing material performance. The materials examined include composites incorporating carbon nanotubes, graphene, nanoparticles, and nanofibers, making this book a useful resource for those interested in computational materials science, nanotechnology, and advanced composite modeling.
eBook details
- Author (s): Sumita Sharma
- Publication year: 2020
- Publisher: Springer
- Language: English
- ISBN: 1536174084, 9781536174083, 9781536174090
- Pages: 353
- Book format: PDF
- File size: 5 MB
