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首页> 外文会议>Nanoscale thermoelectric materials: Thermal and electrical transport, and applications to solid-state cooling and power generation >Mapping thermal resistance around vacancy defects in graphite
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Mapping thermal resistance around vacancy defects in graphite

机译：绘制石墨中空位缺陷周围的热阻图

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摘要

High purity bulk graphite is applicable in many capacities in the nuclear industry. The thermal conductivity of graphite has been found to vary as a function of how its morphology changes on the nanoscale, and the type and number of defects present. We compute thermal conductivities at the nanolevel using large scale classical molecular dynamics simulations and by employing the Green-Kubo method in a set of in silico experiments geared towards understanding the impact of defects in the thermal conductivity of graphite. We present the results obtained for systems with 1-3 vacancies, and compile a summary of some of the methods applied and difficulties encountered.
机译：高纯度块状石墨可应用于核工业的许多产能。已经发现石墨的热导率随其形态如何在纳米尺度上变化以及存在的缺陷的类型和数量而变化。我们使用大规模经典分子动力学模拟，并在一系列旨在理解石墨导热系数缺陷影响的计算机模拟实验中采用Green-Kubo方法，计算了纳米级的导热系数。我们介绍了具有1-3个空缺的系统所获得的结果，并汇总了一些应用的方法和遇到的困难的摘要。

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