Sahputra, Iwan Halim and Echtermeyer, Andreas T. (2021) The effects of the van der Waals potential energy on the Young’s modulus of a polymer: comparison between molecular dynamics simulation and experiment. [UNSPECIFIED]
![[img]](https://repository.petra.ac.id/style/images/fileicons/application_pdf.png) | PDF Download (326Kb) | |
| PDF Download (122Kb) | |
| PDF (Paper - Iwan H) Download (4Mb) | Preview | |
| PDF (Korespondensi - Iwan H) Download (112Kb) | Preview | |
| PDF (Cek plagiasi - Iwan H) Download (123Kb) | Preview | |
| PDF (Peer review - Iwan H) Download (1183Kb) | Preview |
Abstract
Molecular dynamics simulation were employed to investigate the effect of changing the potential energies describing primary and secondary bonds on the Young’s modulus of a polymer. The energies were changed by arbitrarily modifying the parameters of the potential energy model function. The parameters influence the structure of the polymer and its global energy, eventually causing changes to the Young’s modulus. The van der Waals energy describing secondary bonds gives the most significant contribution to the changes. Increasing the energy increases the density and Young’s modulus. The trends are in agreement with experimental data.
| Item Type: | UNSPECIFIED |
|---|---|
| Uncontrolled Keywords: | Van der Waals energy Young’s modulus Polymer Molecular dynamics simulation |
| Subjects: | T Technology > TJ Mechanical engineering and machinery |
| Divisions: | Faculty of Industrial Technology > Industrial Engineering Department |
| Depositing User: | Admin |
| Date Deposited: | 15 Jan 2021 19:04 |
| Last Modified: | 17 Feb 2023 08:13 |
| URI: | https://repository.petra.ac.id/id/eprint/19792 |
Actions (login required)
| View Item |
