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 has been studied by the method of nonequilibrium molecular dynamics. The Tersoff potential was 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 their melting occurs. 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.
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Keywords
polyprismanes, silicon nanostructures, Tersoff potential, molecular dynamics, thermal conductivity of nanostructuresAuthors
| Name | Organization | |
| Tsydenov K.A. | National University of Science and Technology «MISiS» | kirillcydenov@yandex.ru |
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