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Modulating Thermal Conductivity via Targeted Phonon Excitation.

Xiao WanDongkai PanZhicheng ZongYangjun QinJing-Tao LüSebastian VolzLifa ZhangNuo Yang
Published in: Nano letters (2024)
Thermal conductivity is a critical material property in numerous applications, such as those related to thermoelectric devices and heat dissipation. Effectively modulating thermal conductivity has become a great concern in the field of heat conduction. Here, a quantum modulation strategy is proposed to modulate the thermal conductivity/heat flux by exciting targeted phonons. It shows that the thermal conductivity of graphene can be tailored in the range of 1559 W m -1 K -1 (decreased to 49%) to 4093 W m -1 K -1 (increased to 128%), compared with the intrinsic value of 3189 W m -1 K -1 . The effects are also observed for graphene nanoribbons and bulk silicon. The results are obtained through both density functional theory calculations and molecular dynamics simulations. This novel modulation strategy may pave the way for quantum heat conduction.
Keyphrases
  • density functional theory
  • molecular dynamics simulations
  • molecular dynamics
  • heat stress
  • signaling pathway
  • molecular docking
  • energy transfer
  • monte carlo