Effect of temperature on elastic properties of CNT-polyethylene nanocomposite and its interface using MD simulations

A Singh, D Kumar - Journal of Molecular Modeling, 2018 - Springer
This paper investigates the effect of temperature on the elastic modulus of carbon nanotube-
polyethylene (CNT-PE) nanocomposite and its interface using molecular dynamics (MD) …

Investigation of nanoparticle–polymer interaction in bio-based nanosilica-filled PLA/NR nanocomposites: molecular dynamics simulation

M Nematollahi, A Jalali-Arani, K Golzar… - Journal of Molecular …, 2020 - Springer
Molecular dynamics (MD) simulation, by employing the COMPASS force field, was utilized to
investigate structural and thermal characteristics as well as interfacial interactions between …

A molecular dynamics study on the size effects of Fe3O4 nanoparticles on the mechanical characteristics of polypyrrole/Fe3O4 nanocomposite

H Kabir, MM Aghdam, SS Samandari… - Molecular …, 2024 - Taylor & Francis
Nanoparticle size effects on elastic properties of polymeric bio-nanocomposites were
studied using atomistic molecular dynamics (MD) simulations. Spherical magnetite …

Organosolv-Lignin aus Süßgräsern (Poacea) zum Einsatz in Bioverbundwerkstoffen

J Dörrstein - 2023 - mediatum.ub.tum.de
Mit der neu entwickelten Route zur Gewinnung von Lignin aus Poacea-dominiertem
Wiesengras (Süßgräser) und der erstmaligen Beschreibung der thermischen …

Tuneable material properties of Organosolv lignin biocomposites in response to heat and shear forces

J Dörrstein, D Schwarz, R Scholz, F Walther… - European Polymer …, 2021 - Elsevier
Lignin as a renewable biomacromolecule is considered as a sustainable feedstock for the
generation of bioplastics and bioplastic composites. However, during thermoplastic …