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Assessment of Thermal, Mechanical, and Viscoelastic Responses of Carbon Nanomaterials Using Molecular Dynamics Simulations

A new molecular dynamics study quantifies the thermal, mechanical, and viscoelastic performance of graphene and carbon nanotubes (CNTs). The simulations report graphene thermal conductivity near 200 W·m⁻¹·K⁻¹ and CNT conductivity around 50 W·m⁻¹·K⁻¹, both rising with larger dimensions but falling at higher temperatures. Elastic moduli approach 1 TPa, yet Stone‑Wales and vacancy defects cut tensile strength by roughly 50‑60 %. Stress‑relaxation results reveal rubber‑like viscoelasticity, opening pathways for damping and biomedical applications.