Fig 1.
Structural representation of a pre-cracked T4,4,4-graphyne nanosheet.
Fig 2.
Stress–strain response of a pristine T4,4,4-graphyne nanosheet (150 Å × 150 Å) under uniaxial tension along the X-direction at different strain rates.
Fig 3.
Fracture evolution of T4,4,4-graphyne nanosheets (150 Å × 150 Å) under uniaxial tension: (a) pristine X-loading, (b) pristine Y-loading, (c) pre-cracked X-loading, and (d) pre-cracked Y-loading.
Pre-cracks (40 Å) are introduced perpendicular to the loading axis.
Fig 4.
Young’s modulus of pre-cracked T4,4,4-graphyne nanosheets under uniaxial loading at 300 K as a function of crack length in the X- and Y-directions.
Fig 5.
Comparative variation of elastic modulus with crack length in T4,4,4-graphyne nanosheets under uniaxial loading: (a) X-direction and (b) Y-direction, predicted using AIREBO-M, REBO, and Tersoff potentials.
Fig 6.
Ultimate tensile strength and fracture strain of pre-cracked T4,4,4-graphyne nanosheets with increasing central crack length (perpendicular to loading) under uniaxial tension in the X- and Y-directions.
Fig 7.
Toughness of pre-cracked T4,4,4-graphyne nanosheets with increasing central crack length under uniaxial tension in the X- and Y-directions.
Fig 8.
Mode I fracture toughness of pre-cracked T4,4,4-graphyne nanosheets with increasing central crack length under Mode I uniaxial loading.
Fig 9.
Elastic modulus of pre-cracked T4,4,4-graphyne nanosheets as a function of crack orientation angle.
Fig 10.
Angular dependence of ultimate strength and fracture strain of pre-cracked T4,4,4-graphyne.
Fig 11.
Toughness of pre-cracked T4,4,4-graphyne nanosheets as a function of crack orientation angle.
Fig 12.
Fracture toughness of pre-cracked T4,4,4-graphyne nanosheets with a 40 Å crack as a function of crack orientation angle.
Fig 13.
Temperature dependence of the elastic modulus of a pre-cracked T4,4,4-graphyne nanosheet.
The data are fitted using the Wachtman equation, showing nearly linear thermal softening and directional anisotropy.
Fig 14.
Ultimate stress and fracture strain of a pre-cracked T4,4,4-graphyne nanosheet.
Fig 15.
Temperature-dependent variation of toughness for a pre-cracked T4,4,4-graphyne nanosheet.
Fig 16.
Temperature-dependent variation of mode I fracture toughness for a pre-cracked T4,4,4-graphyne nanosheet.