Temperature and size dependency of thermal conductivity of aluminum nanocluster

Molecular dynamics simulation has been applied for investigation of coefficient thermal conductivity (CTC) of aluminum nanocluster and its bulk limit via Green–Kubo formalism. The dependence of CTC on size range 256 ≤ N≤ 1,327 is investigated. Temperature dependence of CTC quantity is considered for aluminum nanocluster and its bulk limit in range 300 ≤ T ≤ 1,100 K. At low temperature, CTC quantity for aluminum nanocluster is greater than its bulk value. Our results regarding the CTC quantity as a function of size and temperature of aluminum nanocluster show that there is a peak in the thermal conductivity. It is worthwhile to notice that trend and the value of our result for CTC quantity in the bulk of aluminum is in agreement with experimental results.