The surface modification effect on the interfacial properties of glass fiber-reinforced epoxy: A molecular dynamics study

J Deng, Y Song, Z Lan, Z Xu, Y Chen… - Nanotechnology …, 2022 - degruyter.com
In this work, the effect of common functional groups, namely hydroxyl, formyl, carboxyl, and
amine groups on the interfacial behavior of surface-modified glass fiber-reinforced epoxy is …

Modelling the surface of amorphous dehydroxylated silica: the influence of the potential on the nature and density of defects

S Halbert, S Ispas, C Raynaud… - New Journal of Chemistry, 2018 - pubs.rsc.org
Molecular dynamics (MD) calculations using two effective pair potentials BKS and CHIK
have been carried out to represent the structures of the amorphous dehydroxylated silica …

Monte Carlo simulations of bulk and nano amorphous silica (a-SiO2) melts

NK Kaliannan, K Krishnamurthy, SK Sreerama… - Computational Materials …, 2018 - Elsevier
Monte Carlo simulations were carried on bulk and nano amorphous silica (SiO 2) melts
under different thermodynamic conditions and nano-sizes. The potential developed by …

Computational study on the structural and surface properties of amorphous hydroxylated TiO2 spherical nanoparticles

NK Kaliannan, K Krishnamurthy - Journal of Nanoparticle Research, 2017 - Springer
Monte Carlo simulations were carried out on amorphous titanium dioxide (TiO 2) for both
bulk and hydroxylated nanoparticles with particle sizes ranging from 1 to 10 nm. The …

シリカの表面評価法―表面水酸基を中心に―

武井孝 - 粉体工学会誌, 2023 - jstage.jst.go.jp
抄録 Silica materials have been practically used in various fields. In this paper the evaluation
methods of silica surface are discussed, especially focusing the surface hydroxyl groups …

[CITATION][C] Ultrafast Intramolecular and Intermolecular Energy Transfer of