Simulation and multiscale modeling of carbon nanomaterials
- Title
- Simulation and multiscale modeling of carbon nanomaterials
- Creator
- Prabhakar, Prajisha; Gopi, Sreeraj; Thomas, Sabu
- Description
- Carbon nanomaterials have become more and more significant for simulation and multiscale modeling due to their distinctive features and prospective uses in a variety of disciplines. We give a thorough computational analysis of the electrical, mechanical, and thermal characteristics of carbon nanotubes, graphene, and fullerenes in this chapter. Our simulations combine classical and quantum mechanical techniques, such as density functional theory and molecular dynamics. We are able to bridge the gap between atomistic simulations and macroscopic behavior thanks to our multiscale modeling technique, which offers important insights into the behavior of carbon nanomaterials at various length and time scales. For the creation and advancement of novel nanomaterials for diverse applications, our findings offer a basic knowledge of the characteristics of carbon nanomaterials. 2025 Elsevier Inc. All rights reserved.
- Source
- Nanostructured Carbon Materials from Plant Extracts: Synthesis, Characterization, and Applications;pp.287-309
- Date
- 01-01-2025
- Publisher
- Elsevier
- Subject
- Carbon nanomaterials; Multiscale modeling; Simulation
- Coverage
- Prabhakar P., School of Energy Materials, Mahatma Gandhi University, Kerala, Kottayam, India; Gopi S., Molecules Bio Labs Pvt Ltd, Kinfra Park, Kerala, Thrissur, India, Akore Formulations Pvt Ltd, Kerala, Thrissur, India; Thomas S., School of Energy Materials, Mahatma Gandhi University, Kerala, Kottayam, India, International and Inter University Center for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kerala, Kottayam, India, School of Nanoscience and Nanotechnology, Mahatma Gandhi University, Kerala, Kottayam, India, Department of Physics and Electronics, Christ (Deemed to be University), Bangalore, India
- Rights
- Restricted Access; Hardcopy may be available in the library
- Relation
- ISBN: 978-032395126-5; 978-032395127-2;
- Format
- online
- Language
- English
- Type
- Book chapter
Collection
Citation
Prabhakar, Prajisha; Gopi, Sreeraj; Thomas, Sabu, “Simulation and multiscale modeling of carbon nanomaterials,” CHRIST (Deemed To Be University) Institutional Repository, accessed June 18, 2026, https://archives.christuniversity.in/items/show/24175.