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) …

Extreme mechanical processes such as strong lattice distortion and bond breakage during
fracture often lead to catastrophic failure of materials and structures. Understanding the …

Interatomic potentials are essential for driving molecular dynamics (MD) simulations, directly
impacting the reliability of predictions regarding the physical and chemical properties of …

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 …

Fracture in crystal lattices usually occurs with discrete atomic bond breakages around the
crack tip. WS 2 involves three-layer atomic structures, where the atomic stress near the crack …

The pattern development of multiple cracks in extremely anisotropic solids such as bilayer or
multilayer two-dimensional (2D) crystals contains rich physics, which, however, remains …

This study examines the roughness of mechanically cleaved edges in 2D crystals and
glasses using molecular dynamics simulations with chemically accurate machine-learning …

Using molecular dynamics simulations, we investigated the uniaxial tensile properties of
silver nanoplates at 300 K, simulating the effects of constant strain rate and various crack …