[HTML][HTML] Atomic-scale understanding of oxidation mechanisms of materials by computational approaches: A review
The urgent requirement of minimising the worldwide cost of corrosion, accompanied by the
increasingly pivotal role of advanced oxide materials, highlights the importance of …
increasingly pivotal role of advanced oxide materials, highlights the importance of …
Mechanism of superlubricity of a DLC/Si3N4 contact in the presence of castor oil and other green lubricants
To meet the surging needs in energy efficiency and eco-friendly lubricants, a novel
superlubricious technology using a vegetable oil and ceramic materials is proposed. By …
superlubricious technology using a vegetable oil and ceramic materials is proposed. By …
Different etching mechanisms of diamond by oxygen and hydrogen plasma: a reactive molecular dynamics study
Understanding the plasma etching mechanism of diamond is of great significance to
promote diamond applications; however, insights into the atomic-scale etching mechanisms …
promote diamond applications; however, insights into the atomic-scale etching mechanisms …
ReaxFF reactive molecular dynamics simulations of mechano-chemical decomposition of perfluoropolyether lubricants in heat-assisted magnetic recording
X Chen, K Kawai, H Zhang, K Fukuzawa… - The Journal of …, 2020 - ACS Publications
A thorough understanding of the decomposition of perfluoropolyether (PFPE) lubricants is
crucial to achieve heat-assisted magnetic recording (HAMR). In contrast to previous studies …
crucial to achieve heat-assisted magnetic recording (HAMR). In contrast to previous studies …
Investigation of the tribological behaviors for 4H–SiC substrate under different lubrication conditions
Lubrication conditions are an important factor affecting both the machining efficiency and
quality of 4H–SiC. To investigate the tribological behaviors under different lubrication …
quality of 4H–SiC. To investigate the tribological behaviors under different lubrication …
Friction behavior of diamond-like carbon coatings with different sp3 contents by atomistic-scale friction dynamics
L Wang, Z Zhang, H Chen, H Wang, Y Liu… - Surface and Coatings …, 2023 - Elsevier
The tribological performance of diamond-like carbon (DLC) coatings as a function of sp 3
concentrations was investigated using molecular dynamics and experimental analysis. The …
concentrations was investigated using molecular dynamics and experimental analysis. The …
Reactive Molecular Dynamics Simulations of Wear and Tribochemical Reactions of Diamond like Carbon Interfaces with Nanoscale Asperities under H2 Gas …
Diamond like carbon (DLC) is an excellent solid lubricant coating used in various nanoscale
applications such as nanoelectromechanical systems and atomic force microscopy …
applications such as nanoelectromechanical systems and atomic force microscopy …
Molecular dynamics simulation of friction in DLC films with different sp3 contents
J Wang, L Wang, H Chen, H Wang - Tribology International, 2023 - Elsevier
Through molecular dynamics simulations, the friction behavior between diamond-like
carbon (DLC) films with different sp 3 fractions and Si 3 N 4 bulk was studied under various …
carbon (DLC) films with different sp 3 fractions and Si 3 N 4 bulk was studied under various …
Temperature dependence of atomic‑oxygen irradiation mechanism of hydrogenated diamond-like carbon film
Hydrogenated diamond-like carbon (H-DLC) films are effective lubricants for aerospace
moving parts, but the service of H-DLC is severely threatened by atomic oxygen (AO) in low …
moving parts, but the service of H-DLC is severely threatened by atomic oxygen (AO) in low …
Functionalized Amorphous Carbon Materials via Reactive Molecular Dynamics Simulations
We derive a database of atomistic structural models of amorphous carbon materials
endowed with exohedral functional groups. We start from phases previously derived using …
endowed with exohedral functional groups. We start from phases previously derived using …