Molecular Dynamics Simulation of Nanocomposites using BIOVIA ... - 9780128169544

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and GromacsAuthor(s): Sumit Sharma\nFormat: Paperback\nPublisher: Elsevier Science Publishing Co Inc, United States\nImprint: Elsevier Science Publishing Co Inc\nISBN-13: 9780128169544, 978-0128169544\nSynopsis\nMolecular 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. Thi.