Figure 1 | Scientific Reports

Figure 1

From: Approaching the alloy limit of thermal conductivity in single-crystalline Si-based thermoelectric nanocomposites: A molecular dynamics investigation

Figure 1

(a) Representative configuration of Si-based nanocomposites characterized by the structural parameters: nanoinclusion size (dP) and spacing (dS). Typical unit cells of nanocomposites embedded with Ge100 (Ge nanoinclusions with the crystal orientation [100] parallel to the Z axis), Ge110, Ge111, Si0.5Ge0.5 alloy and NiSi2 nanocrystal are also shown. Each ball represents an atom, colored by yellow for Si in the matrix, green for Ge, blue for Ni and gray for Si in the nanoinclusions. (b) Schematic of NEMD simulation domain for the direct method. The heat flux is applied along the Z direction and passes through the nanoinclusions in the intermediate region, which is separated from the heat source/sink by a buffer layer to eliminate the nonlinear effects.

Back to article page