Improving the adhesion properties of cement/epoxy interface using graphene-based nanomaterials: Insights from molecular dynamics simulation
The cement/epoxy interface is a critical component in a repair system. Normally, the
adhesion properties of the epoxy coating are negatively affected by the presence of moisture …
adhesion properties of the epoxy coating are negatively affected by the presence of moisture …
[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 …
Nitrogen effects on structure, mechanical and thermal fracture properties of CrN films
Y He, K Gao, H Yang, X Pang, AA Volinsky - Ceramics International, 2021 - Elsevier
In this research, reactive pulsed dc magnetron sputtering with different Ar/N 2 gas flow ratios
was used to deposit CrN films with three growth structures on Si substrates. The phase …
was used to deposit CrN films with three growth structures on Si substrates. The phase …
Low temperature oxidation of amorphous silicon nanoparticles
The oxide layer is important for the processing and applications of silicon nanoparticles as it
provides chemical stability to the material. Herein, the thermal oxidation of sub-10-nm …
provides chemical stability to the material. Herein, the thermal oxidation of sub-10-nm …
Parallel-Self-Assembling Stack, Center-Capture Effect, and Reactivity-Enhancing Effect of N-Layer (N = 1, 2, 3) Cyclo[18]carbon
Cyclo [18] carbon (C18) is an captivating allotrope of carbon synthesized recently, which has
drawn the attention among scientists. There are still few studies on the dynamic behaviors of …
drawn the attention among scientists. There are still few studies on the dynamic behaviors of …
Ab initio study of oxygen segregation in silicon grain boundaries: The role of strain and vacancies
Multi-crystalline silicon is widely used for producing low-cost and high-efficiency solar cells.
During crystal growth and device fabrication, silicon solar cells contain grain boundaries …
During crystal growth and device fabrication, silicon solar cells contain grain boundaries …
Atomistic modeling of oxide-carbide growth on FeCr alloy surface in high-temperature CO2
J Qi, G Sheng, C Liu, Y Wang, H Xu, P Lu, X Peng - Corrosion Science, 2022 - Elsevier
This study investigates the atomistic mechanism of oxide-carbide growth on FeCr alloy
surface. Simulation results demonstrate that Cr atoms segregate outward and form chain …
surface. Simulation results demonstrate that Cr atoms segregate outward and form chain …
A ReaxFF molecular dynamics study of the micro-dynamic oxidation behavior of Ni-Al alloys
D Qu, C Lei, M Zheng, W Chen, D Luo, B Yi… - Materials Today …, 2024 - Elsevier
Revealing the oxide-formation process at the atomic scale is challenging but extremely
important for explaining the oxidation mechanism of an alloy. In this study, the microscopic …
important for explaining the oxidation mechanism of an alloy. In this study, the microscopic …
Structural transformation from low-coordinated oxides to high-coordinated oxides during the oxidation of Cu nanoparticles
Y Ma, X Zhang, P Zheng, E Ni, Y Wang… - The Journal of …, 2021 - ACS Publications
Comprehensively understanding the oxidation mechanism of copper nanoparticles (NPs) is
valuable to the corrosion protection of metals and controllable preparation of Cu oxide …
valuable to the corrosion protection of metals and controllable preparation of Cu oxide …
Effect of interface on oxidation behavior and tribological properties of CrAlN/SiNx multilayer films
The oxidation resistance and tribological behavior of CrAlN/SiN x multilayer films with
different interface structures were investigated. The multilayer film exhibited better oxidation …
different interface structures were investigated. The multilayer film exhibited better oxidation …