NON-EQUILIBRIUM MOLECULAR DYNAMICS SIMULATION ON THICK DEPENDENCE THERMAL CONDUCTIVITIES OF SEMICONDUCTORS

摘要

With the rapidly increasing demand for efficient, small, light, low cost, and reliable electronic devices, the nano-scale thermal transport properties of semiconductors has become a prominent focus of research. Molecular dynamic simulation has emerged as a powerful compliment to experiment and is beginning to play a crucial role in tailored material properties for improved thermal management of electronic devices. The thermal conductivity of semiconductor has been investigated using the Stillinger-Weber (SW) and the Modified Embedded Atom Method (MEAM) potential model, the dependence of temperature, system size, and simulation time has been investigated. We find this MEAM model to quantitatively reproduce bulk thermal conductivity predictions using the linear extrapolation method comparable to previous literature using the well studied Stillenger-Weber (SW) potential.