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.

2D Heterostructures

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I investigated interfacial thermal conductance across 15 carbon-based heterostructures, combining non-equilibrium molecular dynamics with lattice-dynamics analysis.

Approach and findings

  • Computed heat transfer across interfaces between two-dimensional carbon-based structures.
  • Examined vibrational coupling and localized interfacial modes.
  • Found that localized interfacial vibrational modes provide a stronger descriptor of thermal conductance than phonon density-of-states overlap alone.
Simulation cell with hot and cold thermal baths, fixed atoms at the ends, and a heterostructure interface.
Non-equilibrium molecular dynamics setup for interfacial heat transfer, showing the hot and cold baths, fixed end regions, and heterostructure interface.

Carbon-based interfaces

Hatam-Lee SM, Gordiz K, Rajabpour A. Lattice-dynamics-based descriptors for interfacial heat transfer across two-dimensional carbon-based nanostructures. Journal of Applied Physics, 2021.