Tuning the mechanical properties of silicene nanosheet by auxiliary cracks: a molecular dynamics study

Abstract

Inclusion of auxiliary cracks increases the fracture stress of silicene nanosheets with a pre existing crack.

Investigation on the mechanical properties and fracture phenomenon of silicon doped graphene by molecular dynamics simulation

“…It is evident that as the crack length increases both fracture stress and strain decreases. This may be attributed to the faster bond breaking between C-C and C-Si and Si-Si is initiated by larger cracks by forming a plastic zone at the crack tip and this kind of fracture phenomenon is reported earlier for graphene, 10,73 silicene, 10,58 hBN, 10 and stanene. 2,20 Owing to the high local stress at the crack tip this plastic zone induces an irreversible deformation and thus facilitates bond breaking.…”

“…2,20 Owing to the high local stress at the crack tip this plastic zone induces an irreversible deformation and thus facilitates bond breaking. 10,58 The anomaly for fracture stress and strain as a function of crack length may be attributed to the bluntness of the crack tip that formed an asymmetric blunt crack to retain a particular crack length in the center of the nanosheet. 2,10 Note that only 3 nm armchair directed crack reduces the fracture stress and strain of SiG by $32.5% and $36.30%, respectively while only 3 nm zigzag directed crack reduces the fracture stress and strain by $42% and $48%, respectively.…”

“…Additional loading increases the area of these zones and thus initiates the propagation of cracks. 10,58 At $4% strain, the rst bonds start to break near the crack tips and a defected area is generated accompanied by crack tip blunting ( Fig. 11(a) and (b)).…”

Engineered defects to modulate fracture strength of single layer MoS2: An atomistic study

“…The stress field near the crack tip with pores are distributed over a large area around the pores (which is shown in these two figures). Therefore, the average stress near the crack tip is reduced and thus the crack shielding effect [18] has been induced. Crack tips with pores near the crack edges were found to be less stretched for the same applied far-field strain (Figure 8) than without nearby pores which resists the early failure of the material.…”

“…Although few studies remain to exist concerning the mechanical properties and fracture mechanism aspects of pristine and cracked SLMoS2, there is a study gap for porous SLMoS2, their elastic properties and fracture mechanism under tensile loading. Additionally, there is not enough computational or experimental study that helps to answer if mechanical properties of pre-cracked SLMoS2 sheets can be enhanced by prefabricated array of cracks or pores, as can be speculated from similar healing phenomenon previously found in Graphene [17] and Silicene [18].…”