Seyed Milad Hatamlee

Seyed Milad Hatamlee

Computational materials scientist | Molecular simulation, thermodynamics, and nanoscale transport. Research in molecular simulations, nanoconfined fluids, CO2 transport, and phase behavior.

Mechanical Behavior of Black Phosphorene

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I investigated the directional dependence of tensile and shear behavior in monolayer black phosphorene using molecular dynamics.

Approach and findings

  • Analyzed stress–strain response and deformation along different crystallographic directions.
  • Studied the influence of atomic defects on shear modulus and fracture strain.
  • Linked defect populations and the anisotropic atomic structure to mechanical degradation.

Simulation visualizations

Tensile deformation

Shear deformation

Hatam-Lee SM, Peer-Mohammadi H, Rajabpour A. Tuning shear mechanical properties and tensile strength anisotropy of monolayer black phosphorene: a molecular dynamics study. Materials Today Communications, 26:101796, 2021.