Fracture toughness of two-dimensional materials dominated by edge energy anisotropy

M Yu, Z Zhao, W Guo, Z Zhang - Journal of the Mechanics and Physics of …, 2024 - Elsevier
Abstract Two-dimensional materials (2DMs) are prone to brittle failure under load but a
recent experiment has demonstrated intrinsic toughening in hexagonal boron nitride (h-BN) …

Anisotropic Fracture of Two-Dimensional Ta2NiSe5

B Li, J Li, W Jiang, Y Wang, D Wang, L Song, Y Zhu… - Nano Letters, 2024 - ACS Publications
Anisotropic two-dimensional materials present a diverse range of physical characteristics,
making them well-suited for applications in photonics and optoelectronics. While mechanical …

Non-equilibrium nature of fracture determines the crack paths

P Shi, S Feng, Z Xu - Extreme Mechanics Letters, 2024 - Elsevier
Local kinetic processes during crack growth are non-equilibrium and discrete and thus
cannot be resolved in the framework of continuum thermodynamics. Atomistic modeling …

Cracking direction in graphene under mixed mode loading

YM Li, B Zhang - Engineering Fracture Mechanics, 2023 - Elsevier
Crack branching in graphene under complex stresses is investigated by molecular dynamics
simulations and boundary-layer models. Using the maximum energy release rate (MERR) …

Exploring fracture of H-BN and graphene by neural network force fields

P Shi, Z Xu - Journal of Physics: Condensed Matter, 2024 - iopscience.iop.org
Extreme mechanical processes such as strong lattice distortion and bond breakage during
fracture often lead to catastrophic failure of materials and structures. Understanding the …

Effective stick-slip parameter for structurally lubric two-dimensional interface friction

J Wang, A Vanossi, E Tosatti - Physical Review B, 2024 - APS
The wear-free sliding of layers or flakes of graphene-like 2D materials, important in many
experimental systems, may occur either smoothly or through stick-slip, depending on driving …

[HTML][HTML] Strength of 2D glasses explored by machine-learning force fields

P Shi, Z Xu - Journal of Applied Physics, 2024 - pubs.aip.org
The strengths of glasses are intricately linked to their atomic-level heterogeneity. Atomistic
simulations are frequently used to investigate the statistical physics of this relationship …

[HTML][HTML] Hierarchical multiscale fracture modeling of carbon-nitride nanosheet reinforced composites by combining cohesive phase-field and molecular dynamics

Q Zhang, N Valizadeh, M Liu, X Zhuang… - Composite Structures, 2025 - Elsevier
Understanding the fracture mechanisms in composite materials across scales, from nano-to
micro-scales, is essential for an in-depth understanding of the reinforcement mechanisms …

A Planning-and-Exploring Approach to Extreme-Mechanics Force Fields

P Shi, Z Xu - arxiv preprint arxiv:2310.19306, 2023 - arxiv.org
Extreme mechanical processes such as strong lattice distortion and bond breakage during
fracture are ubiquitous in nature and engineering, which often lead to catastrophic failure of …

On the Edge Roughness of Two-Dimensional Materials

P Shi, Z Xu - arxiv preprint arxiv:2407.14134, 2024 - arxiv.org
This study examines the roughness of mechanically cleaved edges in 2D crystals and
glasses using molecular dynamics simulations with chemically accurate machine-learning …