Multiscale mechanics and molecular dynamics simulations of the durability of fiber-reinforced polymer composites

K Lin, Z Wang - Communications Materials, 2023 - nature.com
Fiber-reinforced polymer (FRP) composites have gained widespread applications in many
engineering fields, making it imperative to study long-term performance under service …

[HTML][HTML] Nano-engineering of construction materials using molecular dynamics simulations: Prospects and challenges

D Lau, W Jian, Z Yu, D Hui - Composites Part B: Engineering, 2018 - Elsevier
In recent years, research articles involving molecular dynamics simulations of construction
materials have grown significantly in number. The growth reflects an emerging need to …

A road to hydrogenating graphene by a reactive ion etching plasma

M Wojtaszek, N Tombros, A Caretta… - Journal of Applied …, 2011 - pubs.aip.org
A road to hydrogenating graphene by a reactive ion etching plasma | Journal of Applied Physics
| AIP Publishing Skip to Main Content Umbrella Alt Text Umbrella Alt Text Close Publishers AIP …

Dry efficient cleaning of poly-methyl-methacrylate residues from graphene with high-density H2 and H2-N2 plasmas

G Cunge, D Ferrah, C Petit-Etienne… - Journal of Applied …, 2015 - pubs.aip.org
Graphene is the first engineering electronic material, which is purely two-dimensional: it
consists of two exposed sp 2-hybridized carbon surfaces and has no bulk. Therefore …

A review on modeling techniques of cementitious materials under different length scales: Development and future prospects

XQ Wang, CL Chow, D Lau - Advanced Theory and …, 2019 - Wiley Online Library
Modeling can provide guidelines for improving the mechanical properties, durability, and
sustainability of concrete, which is the most important and widely used construction material …

Coherent diffraction of hydrogen through the 246 pm lattice of graphene

C Brand, M Debiossac, T Susi, F Aguillon… - New Journal of …, 2019 - iopscience.iop.org
We study the diffraction of neutral hydrogen atoms through suspended single-layer
graphene using molecular dynamics simulations based on density functional theory …

Removal of copper from graphene by bombardment with argon clusters: Computer experiment

AE Galashev, VA Polukhin - The Physics of Metals and Metallography, 2014 - Springer
The method of molecular dynamics has been used to study the bombardment of a copper
film on graphene by Ar 13 clusters with a kinetic energy of 20 eV and incident angles θ= 75° …

Plasma enhanced growth of single walled carbon nanotubes at low temperature: A reactive molecular dynamics simulation

M Shariat, SI Hosseini, B Shokri, EC Neyts - Carbon, 2013 - Elsevier
Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route
towards chiral-selective growth, enabling a host of applications. In this contribution, we …

Detection of hydrogen using graphene

RC Ehemann, PS Krstić, J Dadras, PRC Kent… - Nanoscale research …, 2012 - Springer
Irradiation dynamics of a single graphene sheet bombarded by hydrogen atoms is studied in
the incident energy range of 0.1 to 200 eV. Results for reflection, transmission, and …

Molecular dynamics simulation of hydrogen atom sputtering on the surface of graphite with defect and edge

A Ito, Y Wang, S Irle, K Morokuma… - Journal of nuclear …, 2009 - Elsevier
We report effects of graphite vacancy and hydrogen isotopes in chemical sputtering due to
hydrogen atoms onto graphite surfaces by use of molecular dynamics simulation. A modified …