【摘要】：實(shí)現(xiàn)聚合物熱導(dǎo)率調(diào)控,對(duì)擴(kuò)大其在柔性集成電路熱管理中的應(yīng)用非常重要。過(guò)去的十年中,學(xué)者們從納米結(jié)構(gòu)材料的制造方面做了大量工作,但是各種各樣的官能團(tuán)與聚合物導(dǎo)熱性質(zhì)的關(guān)系仍沒(méi)有明確。本文使用分子動(dòng)力學(xué)方法,通過(guò)原子質(zhì)量修飾簡(jiǎn)化模型,探究了碳鏈聚合物單鏈的熱導(dǎo)率與多種等效取代基的關(guān)系。研究發(fā)現(xiàn),氫原子質(zhì)量修飾能顯著調(diào)控碳鏈聚合物單鏈的熱導(dǎo)率,隨著原子修飾質(zhì)量的增加,熱導(dǎo)率單調(diào)遞減。分析表明,氫原子質(zhì)量修飾會(huì)影響與其成鍵的碳原子的振動(dòng)模式,越大的原子修飾質(zhì)量會(huì)越多地散射碳鏈中的低頻聲子,因而使碳鏈聚合物單鏈的熱導(dǎo)率顯著降低。本研究對(duì)理解聚合物熱導(dǎo)率調(diào)控與多種取代基之間的關(guān)系具有指導(dǎo)意義。
[Abstract]:The realization of polymer thermal conductivity control is very important to expand its application in flexible integrated circuit thermal management. In the past decade, scholars have done a lot of work on the fabrication of nanostructured materials, but the relationship between various functional groups and the thermal conductivity of polymers is still unclear. In this paper, the relationship between the thermal conductivity of carbon chain polymer single chain and various equivalent substituents has been investigated by means of molecular dynamics method and the simplified model of atomic mass modification. It is found that hydrogen atom mass modification can significantly regulate the thermal conductivity of carbon chain polymers, and the thermal conductivity decreases monotonously with the increase of atomic modification mass. The results show that the mass modification of hydrogen atoms will affect the vibrational modes of carbon atoms bonded to them, and the larger the mass of atomic modification, the more low-frequency phonons in the carbon chain, so the thermal conductivity of the single chain of carbon-chain polymers will be decreased significantly. This study is of great significance for understanding the relationship between the regulation of thermal conductivity of polymers and various substituents.
【作者單位】： 華中科技大學(xué)能源與動(dòng)力工程學(xué)院;
【基金】：國(guó)家自然科學(xué)基金資助項(xiàng)目(No.51376069) 國(guó)家重點(diǎn)基礎(chǔ)研究發(fā)展計(jì)劃(No.2013CB228302)
【分類號(hào)】：O632

【相似文獻(xiàn)】

相關(guān)期刊論文 前2條

1 М.М.Котон;耐高溫高分子[J];高分子通訊;1959年03期

2 ;[J];;年期

相關(guān)會(huì)議論文 前1條

1 喬曉菲;郭磊;盛凱;閆冰;;化學(xué)鍵組裝新型稀土-無(wú)機(jī)-有機(jī)-高分子雜化發(fā)光材料[A];第七屆全國(guó)稀土發(fā)光材料學(xué)術(shù)研討會(huì)會(huì)議論文摘要集[C];2011年

，

本文編號(hào)：2452224