Author

Kun-Peng Li

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Open access Aug 2026

Effects of Particle Size and Oxide Shell Thickness on the Oxidation Characteristics of Core–Shell Aluminum Nanoparticles Using Molecular Dynamics Simulation

Aluminum nanoparticles (ANPs) possess a core–shell structure, yet the coupled roles of atomic stress and interfacial charge transfer in their slow-heating oxidation remain elusive. This study employs ReaxFF molecular dynamics simulations to investigate the oxidation of six core–shell ANPs with different particle sizes...

Si-Yi He, Zheng-Qing Zhou, Nan Zhang et al. · Nanomaterials · 0 citations

Open access Aug 2026

Atomic-Scale Mechanism of Titanium-Induced Frictional Removal of Silicon Carbide: A Molecular Dynamics Study

The atomic-scale mechanism of the titanium-induced frictional removal of 3C-SiC remains insufficiently understood, particularly regarding the role of interfacial chemical interactions in material removal. In this study, molecular dynamics (MD) simulations were performed to systematically investigate the interfacial rea...

Xu Ling, Wan-Bo Tian, Yan Li et al. · Materials · 0 citations