Atomistic Mechanics of Torn Back Folded Edges of Triangular Voids in Monolayer WS2

Gyeong Hee Ryu, Gang Seob Jung, Hyoju Park, Ren Jie Chang, Jamie H. Warner

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Triangular nanovoids in 2D materials transition metal dichalcogenides have vertex points that cause stress concentration and lead to sharp crack propagation and failure. Here, the atomistic mechanics of back folding around triangular nanovoids in monolayer WS2 sheets is examined. Combining atomic-resolution images from annular dark-field scanning transmission electron microscopy with reactive molecular modelling, it is revealed that the folding edge formation has statistical preferences under geometric conditions based on the orientation mismatch. It is further investigated how loading directions and strong interlayer friction, interplay with WS2 lattice's crack preference, govern the deformation and fracture pattern around folding edges. These results provide fundamental insights into the combination of fracture and folding in flexible monolayer crystals and the resultant Moiré lattices.

Original languageEnglish
Article number2104238
JournalSmall
Volume17
Issue number52
DOIs
StatePublished - Dec 29 2021
Externally publishedYes

Funding

G.H.R. and G.S.J. contributed equally to this work. This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (no. 2020R1G1A1099542). G.S.J. acknowledges support by the Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory (Eugene P. Wigner Fellowship). This research used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract no. DE‐AC05‐00OR22725.

Fingerprint

Dive into the research topics of 'Atomistic Mechanics of Torn Back Folded Edges of Triangular Voids in Monolayer WS2'. Together they form a unique fingerprint.

Cite this