Mechanical enhancement of carbon fiber-reinforced polymers: from interfacial regulating strategies to advanced processing technologies
Carbon fiber reinforced polymer (CFRP) composites with marked comprehensive properties,
such as lightweight, high specific strength, and stiffness, have attracted riveting attention in …
such as lightweight, high specific strength, and stiffness, have attracted riveting attention in …
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 …
Upgrading carbonaceous materials: Coal, tar, pitch, and beyond
Heavy carbonaceous materials (HCMs) such as coal are mostly used for nonrenewable
power generation, while derivatives such as tar and pitch are often discarded by-products …
power generation, while derivatives such as tar and pitch are often discarded by-products …
Atoms to fibers: Identifying novel processing methods in the synthesis of pitch-based carbon fibers
Understanding and optimizing the key mechanisms used in the synthesis of pitch-based
carbon fibers (CFs) are challenging, because unlike polyacrylonitrile-based CFs, the …
carbon fibers (CFs) are challenging, because unlike polyacrylonitrile-based CFs, the …
Predicting char yield of high-temperature resins
A simulation technique has been developed for predicting the char yield of organic resins
during high-temperature processing. In silico methods can aid in the screening of new …
during high-temperature processing. In silico methods can aid in the screening of new …
Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics
Large-scale atomistic models for complex polycyclic aromatic hydrocarbon systems help
understand the chemical properties and behaviors of complex feedstocks such as coal or …
understand the chemical properties and behaviors of complex feedstocks such as coal or …
Revealing mechanistic insights into amorphous graphite formation from oxygenated polar heavy-end aromatic feedstock
Carbon fibers exhibit a wide range of structures including crystalline, amorphous, and
partially crystalline arrangements. Research on disordered carbon has recently unveiled …
partially crystalline arrangements. Research on disordered carbon has recently unveiled …
Effect of Methyl Groups on Formation of Ordered or Layered Graphitic Materials from Aromatic Molecules
Developing functionally complex carbon materials from small aromatic molecules requires
an understanding of how the chemistry and structure of its constituent molecules evolve and …
an understanding of how the chemistry and structure of its constituent molecules evolve and …
Advances in developing cost-effective carbon fibers by coupling multiscale modeling and experiments: A critical review
Carbon fibers (CFs) have received remarkable attention in recent decades because of their
excellent mechanical properties, low density, and outstanding chemical/thermal stability …
excellent mechanical properties, low density, and outstanding chemical/thermal stability …
Atomistic modeling of tensile deformation and fracture of carbon fibers: Nanoscale stress redistribution, effect of local structural characteristics and nanovoids
The mechanisms of tensile deformation and fracture of carbon fibers are investigated in
large-scale molecular dynamics simulations. The simulations performed for computational …
large-scale molecular dynamics simulations. The simulations performed for computational …