Molecular insight into pyrolysis processes via reactive force field molecular dynamics: A state-of-the-art review
G Li, F Zheng, Q Huang, J Wang, B Niu, Y Zhang… - Journal of Analytical and …, 2022 - Elsevier
Molecular simulations based on reactive force-fields (ReaxFF) have been applied as a
powerful tool for exploring the pyrolysis process of complex carbonaceous materials. It can …
powerful tool for exploring the pyrolysis process of complex carbonaceous materials. It can …
Molecular dynamics simulations of the effect of temperature and strain rate on mechanical properties of graphene–epoxy nanocomposites
M Moeini, R Barbaz Isfahani… - Molecular …, 2020 - Taylor & Francis
In this study, the mechanical properties of graphene–epoxy nanocomposites were
investigated using experimental tests, molecular dynamics (MD) simulation and Halpin_Tsai …
investigated using experimental tests, molecular dynamics (MD) simulation and Halpin_Tsai …
Reactive molecular dynamics simulations of the atomic oxygen impact on epoxies with different chemistries
Atomic oxygen (AO) is one of the most abundant species present in the lower earth orbit and
is responsible for the aggressive degradation of polymers used in spacecraft structures. In …
is responsible for the aggressive degradation of polymers used in spacecraft structures. In …
Atomic Oxygen-Induced Surface Erosion Behavior and Mechanical Degradation of Polyether Ether Ketone via Reactive Molecular Dynamics Simulations
G Li, J Wang, B Niu, Y Xing, X Liang… - The Journal of …, 2023 - ACS Publications
Atomic oxygen (AO) collision is one of the most serious threats to polymeric materials
exposed to the space environment, yet understanding the structural changes and …
exposed to the space environment, yet understanding the structural changes and …
Reactive molecular dynamics simulations on the mechanism of the different protection methods of KAPTON during atomic oxygen impact
D Wei, F Zeng, J Cui - Computational Materials Science, 2023 - Elsevier
KAPTON-type polyimide (PI) is a crucial polymer that is often used in the aerospace industry,
but the high levels of atomic oxygen (AO) in low-earth orbit (LEO) can cause the polymer to …
but the high levels of atomic oxygen (AO) in low-earth orbit (LEO) can cause the polymer to …
Erosion Simulations and Quantification of the Temperature Effect by Atomic Oxygen on Polymer Matrix
Satellites operating in low Earth orbit environments (400~ 700 km) are constantly subjected
to severe thermal cycles, ultraviolet radiation, and collisions with atomic oxygen (AO), which …
to severe thermal cycles, ultraviolet radiation, and collisions with atomic oxygen (AO), which …
Investigation of key challenges facing aerogel composites development through multiscale approach
M Kucharek - 2021 - stax.strath.ac.uk
The aerogel particulate and fibre reinforced composites are becoming more and more
popular due to their exceptional properties, nevertheless, they do face a range of challenges …
popular due to their exceptional properties, nevertheless, they do face a range of challenges …