New atomistic insights on the chemical mechanical polishing of silica glass with ceria nanoparticles

L Brugnoli, K Miyatani, M Akaji, S Urata, A Pedone - Langmuir, 2023 - ACS Publications
Reactive molecular dynamics simulations have been used to simulate the chemical
mechanical polishing (CMP) process of silica glass surfaces with the ceria (111) and (100) …

[HTML][HTML] Atomistic insights into bias-induced oxidation on passivated silicon surface through ReaxFF MD simulation

J Gao, X Luo, W Xie, Y Qin, RMM Hasan, P Fan - Applied Surface Science, 2023 - Elsevier
The study investigated the bias-induced oxidation through ReaxFF molecular dynamics
simulations in order to bridge the knowledge gaps in the understanding of physical …

Influence of water penetration on glass fiber-epoxy resin interface under electric field: A DFT and molecular dynamics study

J Xie, Z Liu, H Tian, Z Zhou, Q Xie, F Lü… - Journal of Molecular …, 2023 - Elsevier
Water penetration is a primary cause of composite insulator core rod deterioration. The
performance of the glass fiber-epoxy resin (GFEP) interface plays a crucial role in …

[HTML][HTML] Strain-rate dependent mixed-mode traction laws for glass fiber-epoxy interphase using molecular dynamics simulations

SC Chowdhury, JW Gillespie Jr - Composites Part B: Engineering, 2024 - Elsevier
In this paper, we establish a methodology to predict strain rate-dependent mixed-mode
traction-separation responses (ie, traction laws) for glass-epoxy composite interphase using …

A molecular dynamics study of the effects of silane and cellulose nanocrystals at a glass fiber and epoxy interphase

E Haque, K Kalaitzidou, X Wu - Cellulose, 2024 - Springer
Due to commonly observed adhesive fracture, the interphase regions between fibers and
matrix have often been considered a critical design factor in polymer matrix composites. This …

The improvement mechanism of styrene grafted nano-Al2O3 on the hydrophobicity of epoxy resin composites: based on molecular dynamics and experimental …

M Bi, Z Tong, C Xie, Y Du, X Chen, T Jiang - Materials Today …, 2024 - Elsevier
In the environment with high humidity, water will penetrate into the epoxy resin, resulting in
the deterioration of the electrical properties and the decreasing resistance for the heat and …

Study of the Effect of NaOH Treatment on the Properties of GF/VER Composites Using AE Technique

L Ming, H He, X Li, W Tian, C Zhu - Materials, 2024 - mdpi.com
The purpose of this study is to use acoustic emission (AE) technology to explore the
changes in the interface and mechanical properties of GF/VER composite materials after …

Study on the properties of EPS composite concrete enhanced by silane coupling agent: Experiment and molecular simulation

Y Feng, Z Li, C Zhao, W Chen… - Journal of Thermoplastic …, 2024 - journals.sagepub.com
Due to the organic porous nature of expanded polystyrene (EPS) foam concrete, the bond
strength between it and cement is weak, leading to a weakened interface transition zone …

Reactive molecular dynamics simulations of micrometeoroid bombardment for space weathering of asteroid (162173) Ryugu

D Shoji - The Astrophysical Journal, 2024 - pubishingsupport.iopscience.iop.org
Remote sensing observations by Hayabusa2 and laboratory measurements have revealed
that the phyllosilicates on asteroid (162173) Ryugu are dehydrated/dehydroxylated due to …

A flexible single-step 3D nanolithography approach via local anodic oxidation: theoretical and experimental studies

J Gao - 2023 - stax.strath.ac.uk
The field of nanotechnology has experienced rapid growth in recent years, fuelled by the
increasing need for high-performance next-generation nano/quantum devices/products …