A Molecular Dynamics Study on the Defect Formation and Mechanical Behavior of Molybdenum Disulfide under Irradiation
Yeran Shi,
Wan Wang,
Qing Zhou
et al.
Abstract:Due to its appealing characteristics, molybdenum disulfide (MoS 2 ) presents a promising avenue for the exploration of lubrication protection materials in high-energy irradiation scenarios. Herein, we present a comprehensive investigation into the defect behavior of multilayer MoS 2 under argon (Ar) atom irradiation leveraging molecular dynamics simulations. We have demonstrated the energy shifts and structural evolution in MoS 2 upon irradiation, including the emergence of Frenkel defects and intricate defect… Show more
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