To investigate the relationship between the thermal conductivity and the cooling rate, we have performed molecular-dynamics (MD) simulations based on a combination of the Langevin and Newton equations to deal with a heat transfer from l-Si to c-Si. The thermal conductivity of c-Si was measured by the direct method. In order to deal with finite-size effects, different cell sizes perpendicular to the direction of the heat current were used. The values of the thermal conductivity of 58 W/mK and 35.7 W/mK in the Tersoff potential were obtained at 1000 K and 1500 K, respectively. A MD cell with a length of 488.75 Å in the direction of a heat flow was used for estimating the natural cooling rate. The initial c/l interface systems were obtained by setting the temperatures of the MD cell at 1000 K and 1500 K, respectively, for Z ≤ 35 Å and 3800 K for Z > 35 Å. During the natural cooling processes, the temperature of the bottom 10 Å of the MD cell was controlled. The cooling rates of 7.4×10 11 K/sec for 1000 K and 5.9×10 11 K/sec for 1500 K were obtained, respectively.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.