Mechanical properties of carbon and silicon core-shell nanosprings: A molecular dynamics simulation study

AY Karabacak and HZ Oguz and SÖ Kart and HH Kart, PHYSICA B-CONDENSED MATTER, 716, 417673 (2025).

DOI: 10.1016/j.physb.2025.417673

Nanosprings represent the new helical nanomaterials, characterized by a distinctive geometry and a wide range of functionalities. The nanoscale dimensions and distinctive geometry of these materials offer a unique opportunity to leverage their properties for advanced applications. The main objective is to investigate some mechanical properties of Carbon (C) and Silicon (Si) based core-shell (CS) nanosprings (NSs) by performing molecular dynamics (MD) simulations with the Tersoff potential. The elastic properties of Si@C CS-NSs have been found to be better than those of pure C and Si, and C@Si CS-NSs. The mechanical properties of the nanosprings considered in this work are analyzed in terms of structural parameters such as the spring radius R, the wire radius r, spring spacing P and the number of turns N. Common Neighbor Analysis (CNA) is also used to reveal the microstructural information as a function of the strain at the elevated temperatures of 10 K, 250 K, 500 K, 750 K, and 1000 K for both Si NS0 and C NS0 nanospring models. The results of MD simulations targeting the mechanical properties of C/Si based CS-NSs are presented for the first time in this study.

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