Abstract

Classical reactive molecular dynamics simulations were used to study thermal transport in Irida-Graphene. The paper reports an intrinsic room-temperature thermal conductivity of about 215 W/mK, lower than pristine graphene, and attributes the reduction to stronger phonon scattering in the porous 3-6-8 carbon network. The work also analyzes phonon group velocities and vibrational density of states, showing reduced average phonon velocities and size-dependent transport that evolves from ballistic to diffusive behavior with increasing system length.

Abstract

Classical reactive molecular dynamics simulations were used to study thermal transport in Irida-Graphene. The paper reports an intrinsic room-temperature thermal conductivity of about 215 W/mK, lower than pristine graphene, and attributes the reduction to stronger phonon scattering in the porous 3-6-8 carbon network. The work also analyzes phonon group velocities and vibrational density of states, showing reduced average phonon velocities and size-dependent transport that evolves from ballistic to diffusive behavior with increasing system length.

Abstract

Classical reactive molecular dynamics simulations were used to study thermal transport in Irida-Graphene. The paper reports an intrinsic room-temperature thermal conductivity of about 215 W/mK, lower than pristine graphene, and attributes the reduction to stronger phonon scattering in the porous 3-6-8 carbon network. The work also analyzes phonon group velocities and vibrational density of states, showing reduced average phonon velocities and size-dependent transport that evolves from ballistic to diffusive behavior with increasing system length.

Abstract

Classical reactive molecular dynamics simulations were used to study thermal transport in Irida-Graphene. The paper reports an intrinsic room-temperature thermal conductivity of about 215 W/mK, lower than pristine graphene, and attributes the reduction to stronger phonon scattering in the porous 3-6-8 carbon network. The work also analyzes phonon group velocities and vibrational density of states, showing reduced average phonon velocities and size-dependent transport that evolves from ballistic to diffusive behavior with increasing system length.