Abstract
Molecular dynamics simulations were carried out for nonequilibrium phonon heat transport across the Si Σ = 5, (3 1 0) symmetric tilt grain boundaries subjected to an ultrashort laser pulse. It has been found that the existence of cavities at the grain boundary will increase the grain boundary potential energy and decrease the heat dissipation, which is evident from the approximately 20% longer relaxation time required for the system to reach thermodynamic equilibrium. Thus, the existence of grain boundary cavities is one of the main hindrances in the thermal management of nanostructures.
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