Abstract
A brittle material under loading fails by the nucleation and propagation of a sharp crack. In monatomic crystals, such as silicon, the lattice geometries front to the crack-tip changes the way of propagation even with the same cleavage surface. In general, however, crystals have multiple kinds of atoms and how the deformation of each atom affects the failure is still elusive. Here, we show that local atomic distortions from the different types of atoms causes a propagation anisotropy in suspended WS2 monolayers by combining annular dark-field scanning transmission electron microscopy and empirical molecular dynamics that are validated by first-principles calculations. Conventional conditions for brittle failure such as surface energy, elasticity, and crack geometry cannot account for this anisotropy. Further simulations predict the enhancement of the strengths and fracture toughness of the materials by designing void shapes and edge structures.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 5693-5702 |
| Number of pages | 10 |
| Journal | ACS nano |
| Volume | 13 |
| Issue number | 5 |
| DOIs | |
| State | Published - May 28 2019 |
| Externally published | Yes |
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Keywords
- 2D materials
- ADF-STEM
- fracture mechanics
- molecular dynamics
- propagation anisotropy
ASJC Scopus subject areas
- Materials Science(all)
- Engineering(all)
- Physics and Astronomy(all)
Cite this
Anisotropic Fracture Dynamics Due to Local Lattice Distortions. / Jung, Gang Seob; Wang, Shanshan; Qin, Zhao; Zhou, Si; Danaie, Mohsen; Kirkland, Angus I.; Buehler, Markus J.; Warner, Jamie H.
In: ACS nano, Vol. 13, No. 5, 28.05.2019, p. 5693-5702.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Anisotropic Fracture Dynamics Due to Local Lattice Distortions
AU - Jung, Gang Seob
AU - Wang, Shanshan
AU - Qin, Zhao
AU - Zhou, Si
AU - Danaie, Mohsen
AU - Kirkland, Angus I.
AU - Buehler, Markus J.
AU - Warner, Jamie H.
PY - 2019/5/28
Y1 - 2019/5/28
N2 - A brittle material under loading fails by the nucleation and propagation of a sharp crack. In monatomic crystals, such as silicon, the lattice geometries front to the crack-tip changes the way of propagation even with the same cleavage surface. In general, however, crystals have multiple kinds of atoms and how the deformation of each atom affects the failure is still elusive. Here, we show that local atomic distortions from the different types of atoms causes a propagation anisotropy in suspended WS2 monolayers by combining annular dark-field scanning transmission electron microscopy and empirical molecular dynamics that are validated by first-principles calculations. Conventional conditions for brittle failure such as surface energy, elasticity, and crack geometry cannot account for this anisotropy. Further simulations predict the enhancement of the strengths and fracture toughness of the materials by designing void shapes and edge structures.
AB - A brittle material under loading fails by the nucleation and propagation of a sharp crack. In monatomic crystals, such as silicon, the lattice geometries front to the crack-tip changes the way of propagation even with the same cleavage surface. In general, however, crystals have multiple kinds of atoms and how the deformation of each atom affects the failure is still elusive. Here, we show that local atomic distortions from the different types of atoms causes a propagation anisotropy in suspended WS2 monolayers by combining annular dark-field scanning transmission electron microscopy and empirical molecular dynamics that are validated by first-principles calculations. Conventional conditions for brittle failure such as surface energy, elasticity, and crack geometry cannot account for this anisotropy. Further simulations predict the enhancement of the strengths and fracture toughness of the materials by designing void shapes and edge structures.
KW - 2D materials
KW - ADF-STEM
KW - fracture mechanics
KW - molecular dynamics
KW - propagation anisotropy
UR - http://www.scopus.com/inward/record.url?scp=85066838335&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85066838335&partnerID=8YFLogxK
U2 - 10.1021/acsnano.9b01071
DO - 10.1021/acsnano.9b01071
M3 - Article
C2 - 31083970
AN - SCOPUS:85066838335
VL - 13
SP - 5693
EP - 5702
JO - ACS Nano
JF - ACS Nano
SN - 1936-0851
IS - 5
ER -