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

Erscheinungsjahr 2019
ISBN: 978-0-12-816954-4
Verlag: Elsevier Science Publishing Co Inc

Buch, Englisch, 365 Seiten, Format (B × H): 191 mm x 235 mm, Gewicht: 750 g

Reihe: Micro & Nano Technologies

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.

Autoren/Hrsg.

Sharma, Sumit

Fachgebiete

• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde Materialwissenschaft: Biomaterialien, Nanomaterialien, Kohlenstoff
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde Werkstoffkunde, Materialwissenschaft: Forschungsmethoden

Inhaltsverzeichnis

1. Introduction to Molecular Dynamics 2. Overview of BIOVIA Materials Studio, LAMMPS and GROMACS 3. Molecular Dynamics Simulation of Metal-Matrix Composites Using BIOVIA Materials Studio, LAMMPS and GROMACS 4. Molecular Dynamics Simulation of Polymer-Matrix Composites Using BIOVIA Materials Studio, LAMMPS and GROMACS 5. Molecular Dynamics Simulation of Ceramic-Matrix Composites Using BIOVIA Materials Studio, LAMMPS and GROMACS 6. Scripting in Molecular Dynamics 7.Applications of BIOVIA Materials Studio, LAMMPS and GROMACS in Various Fields of Science and Engineering

Über Autor(innen)

Sharma, Sumit
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.