Thermomechanical Behavior of Bone-Shaped SWCNT/Polyethylene Nanocomposites via Molecular Dynamics
In the present study, the thermomechanical effects of adding a newly proposed nanoparticle within a polymer matrix such as polyethylene are being investigated. The nanoparticle is formed by a typical single-walled carbon nanotube (SWCNT) and two equivalent giant carbon fullerenes that are attached w...
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doaj-1474ce324dae4fcaa903d20230b2fd402021-04-24T23:02:52ZengMDPI AGMaterials1996-19442021-04-01142192219210.3390/ma14092192Thermomechanical Behavior of Bone-Shaped SWCNT/Polyethylene Nanocomposites via Molecular DynamicsGeorgios I. Giannopoulos0Stylianos K. Georgantzinos1Department of Mechanical Engineering, School of Engineering, University of Peloponnese, 1 Megalou Alexandrou Street, GR-26334 Patras, GreeceDepartment of Aerospace Science and Technology, National and Kapodistrian University of Athens, GR-34400 Psachna Evias, GreeceIn the present study, the thermomechanical effects of adding a newly proposed nanoparticle within a polymer matrix such as polyethylene are being investigated. The nanoparticle is formed by a typical single-walled carbon nanotube (SWCNT) and two equivalent giant carbon fullerenes that are attached with the nanotube edges through covalent bonds. In this way, a bone-shaped nanofiber is developed that may offer enhanced thermomechanical characteristics when used as a polymer filler, due to each unique shape and chemical nature. The investigation is based on molecular dynamics simulations of the tensile stress–strain response of polymer nanocomposites under a variety of temperatures. The thermomechanical behavior of the bone-shaped nanofiber-reinforced polyethylene is compared with that of an equivalent nanocomposite filled with ordinary capped single-walled carbon nanotubes, in order to reach some coherent fundamental conclusions. The study focuses on the evaluation of some basic, temperature-dependent properties of the nanocomposite reinforced with these innovative bone-shaped allotropes of carbon.https://www.mdpi.com/1996-1944/14/9/2192bone-shapedfullerenenanotubepolymernanocompositestress-strain |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Georgios I. Giannopoulos Stylianos K. Georgantzinos |
spellingShingle |
Georgios I. Giannopoulos Stylianos K. Georgantzinos Thermomechanical Behavior of Bone-Shaped SWCNT/Polyethylene Nanocomposites via Molecular Dynamics Materials bone-shaped fullerene nanotube polymer nanocomposite stress-strain |
author_facet |
Georgios I. Giannopoulos Stylianos K. Georgantzinos |
author_sort |
Georgios I. Giannopoulos |
title |
Thermomechanical Behavior of Bone-Shaped SWCNT/Polyethylene Nanocomposites via Molecular Dynamics |
title_short |
Thermomechanical Behavior of Bone-Shaped SWCNT/Polyethylene Nanocomposites via Molecular Dynamics |
title_full |
Thermomechanical Behavior of Bone-Shaped SWCNT/Polyethylene Nanocomposites via Molecular Dynamics |
title_fullStr |
Thermomechanical Behavior of Bone-Shaped SWCNT/Polyethylene Nanocomposites via Molecular Dynamics |
title_full_unstemmed |
Thermomechanical Behavior of Bone-Shaped SWCNT/Polyethylene Nanocomposites via Molecular Dynamics |
title_sort |
thermomechanical behavior of bone-shaped swcnt/polyethylene nanocomposites via molecular dynamics |
publisher |
MDPI AG |
series |
Materials |
issn |
1996-1944 |
publishDate |
2021-04-01 |
description |
In the present study, the thermomechanical effects of adding a newly proposed nanoparticle within a polymer matrix such as polyethylene are being investigated. The nanoparticle is formed by a typical single-walled carbon nanotube (SWCNT) and two equivalent giant carbon fullerenes that are attached with the nanotube edges through covalent bonds. In this way, a bone-shaped nanofiber is developed that may offer enhanced thermomechanical characteristics when used as a polymer filler, due to each unique shape and chemical nature. The investigation is based on molecular dynamics simulations of the tensile stress–strain response of polymer nanocomposites under a variety of temperatures. The thermomechanical behavior of the bone-shaped nanofiber-reinforced polyethylene is compared with that of an equivalent nanocomposite filled with ordinary capped single-walled carbon nanotubes, in order to reach some coherent fundamental conclusions. The study focuses on the evaluation of some basic, temperature-dependent properties of the nanocomposite reinforced with these innovative bone-shaped allotropes of carbon. |
topic |
bone-shaped fullerene nanotube polymer nanocomposite stress-strain |
url |
https://www.mdpi.com/1996-1944/14/9/2192 |
work_keys_str_mv |
AT georgiosigiannopoulos thermomechanicalbehaviorofboneshapedswcntpolyethylenenanocompositesviamoleculardynamics AT stylianoskgeorgantzinos thermomechanicalbehaviorofboneshapedswcntpolyethylenenanocompositesviamoleculardynamics |
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1721510837269561344 |