... functionalization. Design/methodology/approach By combining molecular dynamics simulations with tribological experiments, this paper investigated the dispersion mechanisms and operational adaptability of functionalized GO . Findings Results demonstrate that carboxyl groups (-COOH) and hydroxyl groups (-OH...

... appeared to influence the work reported in this paper. 11 06 2025 28 07 2025 27 08 2025 25 09 2025 © 2025 Emerald Publishing Limited 2025 Emerald Publishing Limited Licensed re-use rights only PTFE Nanoparticles Molecular dynamics simulation Pull Nanoindentation...

... operation. Findings Through the molecular dynamics simulation carried out under five working conditions, respectively, it can be obtained that with the increase of temperature and pressure, the magnetic particles diffuse more and more slowly in the system, and the interaction force between the magnetic...

... on enhancement of mechanical and tribological properties of polymer composites reinforced by carbon nanotubes and graphene sheet: molecular dynamics simulations ”, Composites Part B: Engineering , Vol. 160 , pp. 348 - 361 . Liu , X. , Song , J. , Chen , H. , Zhao , G. , Qiu , J...

... properties of PI nanocomposites filled with La₂O₃ were studied by molecular dynamic simulations to explore the deep mechanisms from an atomic or molecular view. Findings The results showed that the hardness of the PI matrix increased after La₂O₃ modification...

... 5-di-tert-butyl-4-hydroxyphenyl) propanoate Molecular dynamics simulation 5-(di-tert-butyl-4-hydroxyphenyl) propanoate Taking glass beaker filled with lubricants B/C in an oven to carry out accelerated thermal oxidation test, set the thermal oxidation cycle at 135°C for 15 days...

.... Design/methodology/approach Molecular dynamics simulation of nano-cutting 3C-SiC is carried out in this paper. The following two scenarios are considered: normal nanometric cutting of 3C-SiC; and stress-assisted nanometric cutting of 3C-SiC for comparison. Chip formation, phase transformation...