Fracture behaviors of pre-cracked monolayer molybdenum disulfide: A molecular dynamics study

• Qi-lin Xiong,
• Zhen-huan Li and
• Xiao-geng Tian

Beilstein J. Nanotechnol. 2016, 7, 1411–1420, doi:10.3762/bjnano.7.132

• model without finite size effect. Finally, the MDS results of monolayer MoS2 sheets with different angled crack are also analyzed based on the continuum fracture mechanics model. Keywords: crack propagation; fracture strength; molecular dynamics simulation; monolayer molybdenum disulfide; pre-existing

• crack; Introduction It is well known that the existence of crack in the real material is inevitable [1]. However, the unavoidable cracks have a significant influence on the mechanical strength of materials and even cause catastrophic events, thus the investigation of the fracture behavior of materials