
Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs
Description
Key Features
- 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
Readership
Materials scientists and mechanical engineers interested in nanoscale computational modelling
Table of Contents
1. Introduction to Molecular Dynamics
Sumit Sharma, Pramod Kumar and Rakesh Chandra
2. Overview of Biovia Materials Studio, LAMMPS and GROMACS
2.1. Overview of Biovia Materials Studio
Sumit Sharma, S.P. Singh and Raja Sekhar Dondapati
2.2. Overview of LAMMPS
S.P. Singh
2.3. Overview of GROMACS
Raja Sekhar Dondapati
3. Molecular Dynamics Simulation of Metal-Matrix Composites Using Biovia Materials Studio, LAMMPS and GROMACS
3.1 Prediction of Mechanical Properties of Graphene/Silicon Carbide Reinforced Aluminium Composites Using Biovia Materials Studio
Sumit Sharma, Pramod Kumar and Rakesh Chandra
3.2 Prediction of Mechanical Properties of Graphene/Copper Nanolayered Composites Using LAMMPS
Amit Bansal, Prince Setia and Raj Chawla
3.3 Molecular Dynamics Simulation of Lithium Metal/Polymer Electrolyte Interfacial Properties Using Gromacs
Raj Chawla, Amit Bansal and Prince Setia
4. Molecular Dynamics Simulation of Polymer-Matrix Composites Using Biovia Materials Studio, LAMMPS and GROMACS
4.1. Molecular Dynamics Simulation of Carbon Nanotubes and Polymer/Carbon Nanotube Composites
Pramod Kumar, Sumit Sharma and Rakesh Chandra
4.2. Molecular Dynamics Simulation of Functionalized SWCNT/Polymer Composites Using Lammps
Sumit Sharma, Amit Bansal and Prince Setia
4.3. Prediction of Tribological Properties of Carbon Nanotube Reinforced Natural Rubber Composites Using GROMACS
Raj Chawla, Sumit Sharma and Manish Dhawan
5. Molecular Dynamics Simulation of Ceramic-Matrix Composites Using Biovia Materials Studio, LAMMPS and GROMACS
5.1. Molecular Dynamics Simulation of Carbon Nanotube Reinforced Silicon Carbide Composites Using Biovia Materials Studio
Sumit Sharma, Pramod Kumar and Rakesh Chandra
5.2. Molecular Dynamics Simulation of Al/Al2O3 Metal-Ceramic Composite Using LAMMPS
Amit Bansal, Prince Setia and Sumit Sharma
5.3. Molecular Dynamics Simulation of Co-axial Boron Nitride/Carbon Nanotubes Using GROMACS
Sumit Sharma
6. Scripting in Molecular Dynamics
Sumit Sharma, Pramod Kumar and Rakesh Chandra
7.Applications of BIOVIA Materials Studio, LAMMPS and GROMACS in Various Fields of Science and EngineeringSumit Sharma, Pramod Kumar and Rakesh Chandra
Product details
- No. of pages: 365
- Language: English
- Copyright: © Elsevier 2019
- Published: August 9, 2019
- Imprint: Elsevier
- Paperback ISBN: 9780128169544
- eBook ISBN: 9780128169551
About the Editor
Sumit Sharma
Affiliations and Expertise
Ratings and Reviews
Latest reviews
(Total rating for all reviews)
Neeraj B. Fri Aug 30 2019
A very useful and powerful tool for the beginner as well as the professional working with molecular dynamics simulation
A very useful and powerful tool for the beginner as well as the professional working with molecular dynamics simulation.
Dr. A. Sat Aug 10 2019
very good and useful book
I review the contents, and I see it very useful and so promising for any researcher in the field of Molecular simulations. I know the editor, Dr. Sumit Sharma, as an expert and experienced researcher in the field with various prestigious publications.
ANIMESH T. Thu Apr 18 2019
Good book and experience expert writer & editor Molecular Dynamic Simulation of nano composite and nanomaterial
Definitely this book help to all students , researcher and faculty who are working in molecular dynamic simulation. I can say strongly the editor of this book Dr. Sumit Sharma is knowledgeable person in MD simulation. I have seen his publication in the MD simulation in various pioneer international journal.
Prince S. Thu Feb 28 2019
Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs
This book will give you a first hand experience on various softwares like Materials Studio, Gromacs and LAMMPS apart from that this book also cover various problems base on different materials in order to have a good understanding vis-a-vis designing and simulation of materials.
manish Thu Feb 28 2019
Best book for the beginners to start the journey in the field of molecular dynamics
Very good book for the beginners. This book contains good very good content to start the journey in the field of molecular dynamics.
satyender s. Fri Feb 22 2019
Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs
Excellent contribution for the designing and simulation of materials.
Dr. C. Thu Feb 21 2019
Best book to start your journey in an amazing world of Molecular Dynamics
The book provide detailed explanation how MD simulations work. One can buy this book to excel the commands and to learn Materials Studio, Gromacs and LAMMPS with number of examples.