On the thermal properties of pure and defective -graphene nanotubes by molecular dynamics simulations

DOI10.1007/S10910-024-01588-7MaRDI QIDQ6203926zbMATH OpenFDO

Authors Pingfang Yuan, Zhenfeng Liu, Yanxin Xie, Yafei Meng, Mengdie Li, Ke-Ke Chen

Publication date 8 April 2024

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/S10910-024-01588-7

zbMATH Keywords

\(\Psi\)-graphene nanotubesdefectmolecular dynamicsthermal conductivity

Mathematics Subject Classification ID

Computer aspects of numerical algorithms (65Yxx) Applications to the sciences (65Zxx) Numerical and other methods in solid mechanics (74Sxx)

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Cites work

• Fast parallel algorithms for short-range molecular dynamics
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

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