Thermal conductivity of 1D carbyne chains

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• 作者：Yichen Deng ; Steven W. Cranford ; ^{s.cranford@northeastern.edu}
• 关键词：Thermal conductivity ; Carbyne ; Carbon ; One-dimensional ; Reverse non-equilibrium molecular dynamics (RNEMD)
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：129
• 期：Complete
• 页码：226-230
• 全文大小：886 K
• 卷排序：129

文摘

Via molecular dynamics, the thermal conductivity of carbyne is shown to be on the order of 1 kW/m-K. The thermal conductivity increases proportional to carbyne chain length. The thermal conductivity can be tuned with applied tensile and compressive strain.