Molecular Dynamic Study of Thermal Conductivity of Quasi-One-Dimensional Silicon Polyprismane

The thermal conductivity of silicon polyprismanes with sections in the form of regular pentagons and hexagons is studied by the method of nonequilibrium molecular dynamics. The Tersoff potential is used to model interatomic interactions. The thermal conductivity of the polyprismanes is calculated depending on their length and temperature, as well as the temperature difference at the ends of the polyprismanes. It is established that silicon polyprismanes are stable up to a temperature of 550 K, after which they start melting. The amount of heat transferred through the polyprismanes is proportional to the time and temperature difference, but does not depend on the length of the system, if this length is in the range of 10-25 nm.