Yankovskyi Illia, Antonyuk Sergiy

• This study addresses a critical challenge in surface engineering: developing robust nanocomposite layers on high-performance thermoplastics without inducing macroscopic thermal degradation. While cold gas dynamic spraying (CGDS) of polymers is often described in the literature as a deposition process based on purely mechanical anchoring of particles into polymer surface, our work establishes a multi-scale, hybrid physical–chemical adhesion framework. Using a coupled 3D thermoplasticity finite element model with a Mie–Grüneisen equation of state and Johnson–Cook criteria, we evaluate the supersonic impact dynamics (𝑉0=1000 m/s) of single-walled (5,0) CNTs impacting a PEEK substrate at oblique angles (0–20°). The core scientific lies in bridging continuum mechanics with quantum-chemical statistics. By applying Weibull weakest-link theory to a 37-bond monomer model, we demonstrate that compliant 𝐶𝑎𝑟𝑜𝑚−𝑂 ether bonds selectively absorb impact energy, covering 8.37% of their dissociation barrier. This non-uniform energy sharing yields a 0.23% monomer activation probability, generating a high free-radical density of ~1100 μm−2 beneath the particle plume. This localized “chemical nano-welding” network provides exceptional chemical adhesion, while the remaining 99.77% of intact chains ensure structural rigidity, reinforced by a mechanical “self-locking” field (residual compressive stresses up to 0.9 GPa). This study provides a scientific foundation for designing functional coatings tailored for engineering, aerospace, and biomedical applications.