In polymers,heat could transfer efficiently along the long polymer chains;however due to the finite length of polymer chains,such heat eventually has to pass across the chain-chain boundary which is less effective in ...In polymers,heat could transfer efficiently along the long polymer chains;however due to the finite length of polymer chains,such heat eventually has to pass across the chain-chain boundary which is less effective in heat transfer.This paper investigated the thermal transport across polyethylene chains with molecular dynamics(MD)simulations.Thermal transport across two polymer chains overlapping with each other is studied with different chain length(75 nm,150 nm and 251 nm)and chain-chain overlapping length.The results show that with increasing overlapping length,the total thermal conductance across the two chains exhibits maximum value,which is due to the increasing thermal resistance along the chains and the decreasing inter-chain thermal boundary resistance.Mathematically,we show that the total thermal resistance can be decomposed into two terms.The coupling term related to the inter-chain thermal resistance tends to saturate even with long overlapping length.展开更多
基金support from National Natural Science Foundation of China(NSFC)(Grant No.51776080)。
文摘In polymers,heat could transfer efficiently along the long polymer chains;however due to the finite length of polymer chains,such heat eventually has to pass across the chain-chain boundary which is less effective in heat transfer.This paper investigated the thermal transport across polyethylene chains with molecular dynamics(MD)simulations.Thermal transport across two polymer chains overlapping with each other is studied with different chain length(75 nm,150 nm and 251 nm)and chain-chain overlapping length.The results show that with increasing overlapping length,the total thermal conductance across the two chains exhibits maximum value,which is due to the increasing thermal resistance along the chains and the decreasing inter-chain thermal boundary resistance.Mathematically,we show that the total thermal resistance can be decomposed into two terms.The coupling term related to the inter-chain thermal resistance tends to saturate even with long overlapping length.
