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Multiscale simulation of heat conduction in low dimensional materials

Time: 14.30-16.00, April 18th, 2019, Thursday

Venue: Meeting Room 701, Yifu Building, Yingxi Campus

Speaker: Yuan Dong, research scientist, University of Missouri


Abstract:

Low dimensional materials such as graphene have attracted great attention in recent years due to their special properties. The heat transfer of low dimensional materials is quite different from that of traditional materials. It is very important to study the heat transfer mechanism of low dimensional materials for the application of low dimensional materials in electronic devices and advanced thermal management.

This report will introduce the research group's recent work in the multi-scale simulation of the heat transfer mechanism of low-dimensional materials: the first principle, quantum chemical calculation, is applied to achieve the reliable prediction of two-dimensional carbon nitride with extremely high thermal conductivity and other excellent properties; The interfacial thermal resistance and thermal rectification between metal and carbon nanotubes were predicted by molecular dynamics simulation; an engineering application model of the equivalent thermal conductivity of nanometer thin films was established by using the mesoscopic thermal-mass theory. Finally, the deep learning algorithm of artificial intelligence is applied to greatly reduce the computation consumed in small scale calculation, laying a foundation for future cross-scale high-precision simulation.

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