Carbon fiber reinforced polymer (CFRP) have excellent properties such as light weight, high
strength, high modulus and high temperature resistance, and have wide application …

Fiber-reinforced polymer (FRP) composites have gained widespread applications in many
engineering fields, making it imperative to study long-term performance under service …

Nanoparticle clusters with molecular-like configurations are an emerging class of colloidal
materials. Particles decorated with attractive surface patches acting as analogs of functional …

Carbon dots (CDs), as a kind of zero‐dimensional nanomaterials, have been widely
synthesized by bottom‐up methods from various precursors. However, the formation …

This review concentrates on the advances of atomistic molecular simulations to design and
evaluate amorphous microporous polymeric materials for CO2 capture and separations. A …

To formulate a machine learning (ML) model to establish the polymer's structure-property
correlation for glass transition temperature T g, we collect a diverse set of nearly 13,000 real …

Carboxyl-functionalized carbon nanotubes (CNTs-COOH) and the amine-functionalized
carbon nanotubes (CNTs-NH 2) were incorporated into the surface sizing agent of carbon …

This work presents a generalized structure generation methodology for amorphous
polymers by a simulated polymerization technique and 21-step molecular dynamics …

Recently, great attention has been focused on using epoxy polymers in different fields such
as aerospace, automotive, biotechnology, and electronics, owing to their superior properties …

A multi-scale computational analysis based on representative volume element (RVE)
modeling and molecular dynamics (MD) simulations is developed to investigate the …