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

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

doi:10.1002/smll.202104238

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

Journal Article · Wed Oct 27 00:00:00 EDT 2021 · Small

DOI:https://doi.org/10.1002/smll.202104238· OSTI ID:1832708

^[1];

^[2]; Park, Hyoju ^[3]; Chang, Ren‐Jie ^[4]; Warner, Jamie H. ^[3]

Gyeongsang National Univ., Jinju (Korea, Republic of)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Texas, Austin, TX (United States)
Univ. of Oxford (United Kingdom)

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 WS ₂ 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 WS ₂ 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.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Research Foundation of Korea (NRF)

Grant/Contract Number:: AC05-00OR22725; 2020R1G1A1099542

OSTI ID:: 1832708

Alternate ID(s):: OSTI ID: 1837706

Journal Information:: Small, Vol. 17, Issue 52; ISSN 1613-6810

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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

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