Anisotropic fracture mechanics of pre-cracked T4,4,4-Graphyne Nanosheets: Effects of crack geometry and temperature
Chuanyuan Tan, Ali Ghasemi
TL;DR
This study explores how pre-cracked T4,4,4-graphyne nanosheets break under tension, showing how crack size, orientation, and temperature affect their strength and toughness.
Contribution
The paper introduces a detailed atomistic analysis of anisotropic fracture mechanics in pre-cracked graphyne nanosheets under varying temperatures and crack geometries.
Findings
Ultimate tensile strength and fracture strain decrease with increasing crack length and temperature.
Toughness and mode I fracture toughness show anisotropic behavior due to ligament bridging and bond rotation under X-loading.
Thermal softening causes near-linear modulus reduction and inversion of directional stiffness at high temperatures.
Abstract
An atomistic study is conducted to elucidate the fracture behavior of pristine and centrally pre-cracked T4,4,4-graphyne nanosheets (150 Å × 150 Å) under uniaxial tension in both X- and Y-directions. Stress–strain responses are analyzed as functions of crack length (30–60 Å), orientation (0°–90°), and temperature (200–1000 K). Elastic modulus degradation is captured by power-law and trigonometric models, yielding high correlation coefficients. Ultimate tensile strength and fracture strain are shown to decline with increasing crack length and temperature, while toughness and mode I fracture toughness illustrate anisotropic energy absorption and crack-tip shielding effects, particularly under X-loading where ligament bridging and bond rotation mechanisms are activated. Thermal softening is modeled via the Wachtman equation, revealing near-linear modulus reduction and an inversion of…
Genes, proteins, chemicals, diseases, species, mutations and cell lines named across the full text — each resolved to its canonical identifier and authoritative record.
Click any figure to enlarge with its caption.
Figure 1
Figure 2
Figure 3
Figure 4
Figure 5
Figure 6
Figure 7
Figure 8
Figure 9
Figure 10
Figure 11
Figure 12
Figure 13
Figure 14
Figure 15
Figure 16
Figure 17
Figure 18
Figure 19
Figure 20
Figure 21
Figure 22
Figure 23
Figure 24
Figure 25
Figure 26
Figure 27
Figure 28
Figure 29
Figure 30
Figure 31
Figure 32
Figure 33
Figure 34
Figure 35
Figure 36
Figure 37
Figure 38
Figure 39
Figure 40
Figure 41
Figure 42
Figure 43
Figure 44
Figure 45
Figure 46
Figure 47
Figure 48
Figure 49
Figure 50Peer Reviews
No public reviews on file for this paper yet. If you reviewed it on a platform where reviews are public (OpenReview, ICLR, NeurIPS, ICML), you can paste yours below so the community can read it here.
Videos
No videos yet. Explain this paper in a talk, walkthrough, or lecture? Add one.
Taxonomy
TopicsGraphene research and applications · Boron and Carbon Nanomaterials Research · 2D Materials and Applications