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

Häftad, Engelska, 2025

3 609 kr

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Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs, Second Edition introduces the three major software packages essential for the molecular dynamics simulation of nanocomposites, providing detailed instructions on utilizing each. This content is accompanied by real-world examples that illustrate when each should be applied. Numerous case studies demonstrate how each software package predicts various properties of nanocomposites, encompassing metal-matrix, polymer-matrix, and ceramic-matrix based nanocomposites. Explored properties include mechanical, thermal, optical, and electrical characteristics. This is a valuable resource for students, researchers, and scientists working in the field of molecular dynamics simulation.

All chapters have been fully updated to reflect the latest developments in the field, and this new edition has been enriched with additional chapters covering Al composites, machine learning, polymer coatings, and graphene-based materials and carbon nanotubes.

Provides a detailed explanation on the basic commands and modules of Materials Studio, Lammps, and Gromacs
Demonstrates how these materials predict the mechanical, thermal, electrical, and optical properties of nanocomposites
Introduces coding in LAMMPS, explaining modeling using Materials Studio and LAMMPS
Utilizes case studies to illustrate the appropriate software for solving various nanoscale modeling problems

Produktinformation

Utgivningsdatum2025-05-30
Mått191 x 235 x 33 mm
Vikt1 340 g
FormatHäftad
SpråkEngelska
SerieMicro and Nano Technologies
Antal sidor638
Upplaga2
FörlagElsevier Science
ISBN9780443267048

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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.

1. Introduction to Molecular Dynamics2. Overview of Biovia Materials Studio, LAMMPS and GROMACS3. Molecular Dynamics Simulation of Metal-Matrix Composites Using Biovia Materials Studio, LAMMPS and GROMACS4. Molecular Dynamics Simulation of Polymer-Matrix Composites Using Biovia Materials Studio, LAMMPS and GROMACS5. Molecular Dynamics Simulation of Ceramic-Matrix Composites Using Biovia Materials Studio, LAMMPS and GROMACS6. Scripting in Molecular Dynamics7. Applications of BIOVIA Materials Studio, LAMMPS and GROMACS in Various Fields of Science and Engineering8. Molecular dynamics modeling of 2D materials9. Vibrational behavior of carbon nanotubes and graphene10. Wear of CNT reinforced Al composites11. Machine learning and Molecular Dynamics12. Polymer coatings of metallic substrate13. Modeling of graphene oxide and reduced graphene oxide14. Effect of functionalization and defects in CNT on mechanical properties and creep behavior of nitrile butadiene rubber composites15. The effect of chirality and defects on mechanical properties of carbon nanotube reinforced polycarbonate composites16. Structure of nanomaterials and composites17. Machine learning with MD 18. Applications of MD in different fields