Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs (Micro and Nano Technologies) - Softcover

Sharma, Sumit

Softcover

ISBN 10: 0128169540 ISBN 13: 9780128169544

Publisher: Academic Press, 2019

Synopsis

Trends in Nonalcoholic Beverages covers the most recent advances, production issues and nutritional and other effects of different nonalcoholic beverages, such as carbonated beverages, cereal-based beverages, energy drinks, fruit punches, non-dairy milk products, nonalcoholic beer, ready-to-drink products (e.g. tea, coffee), smoothies, sparkling and reduced water beverages. In addition, it covers relevant issues, such as traditional non-alcoholic beverages, labeling and safety issues during production, as well as the intake of functional compounds in particular applications. This is an essential resource for food scientists, technologists, engineers, nutritionists and chemists as well as professionals working in the food/beverage industry.

About this title

About the Author

Dr Sumit Sharma is Assistant Professor in the Department of Mechanical Engineering at Dr BR Ambedkar National Institute of Technology Jalandhar, India. Before joining this institute, he worked as an Assistant Professor in the School of Mechanical Engineering in Lovely Professional University, India. Dr Sharma’s interests are related to both theoretical and experimental aspects of mechanics and dynamics of nanomaterials and structures.

From the Back Cover

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for molecular dyanmics simulation of nanocomposites. Materials Studio, Lammps and Gromacs are all used for performing nanocomposites simulations and analysis. The purpose of this book is to provide the readers with an in-depth view of molecular dynamics modeling of nanocomposites using Materials Studio, Lammps and Gromacs. The book explains in detail how to use each of these packages most effectively, using real-world examples to show when each should be used. The latter two of these are open-source codes, which can be used for modelling at no cost.

As well as offering an introduction to molecular dynamics simulation, and explaining how it is applied to nanocomposites, the book includes several case studies, to show how each of the software packages are used to predict various properties of nanocomposites, including metal-matrix, polymer-matrix and ceramic-matrix based nanocomposites. The properties explored include mechanical, thermal, optical and electrical properties. The concept of perl scripting is discussed in detail. The questions this book answers for readers include:

• Which module to use?
• How do I perform optimization?
• Which ensemble to use?
• How do I calculate mechanical, thermal, optical and electrical properties?
• How do I perform scripting in Materials Studio, Lammps and Gromacs?

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.

Edition details

• Publisher: Academic Press
• Publication date: 2019
• Language: English
• ISBN 10: 0128169540
• ISBN 13: 9780128169544
• Binding: Paperback
• Edition number: 1
• Number of pages: 366