本文用非平衡分子动力学方法计算了超晶格材料内部热流的组成和分布,发现在固体中,热能主要是通过分子间作用力做功的方式传递,此方式在固体中的热流传递中占的比率比液体或气体情况下要大,因此可以忽略动能和势能传递项的贡献.超晶格材料的分子动力学模拟显示,它的界面对切向热流有阻碍作用,热流分布比普通的复合材料不均匀.由此导致超晶格材料平面热导率的降低.本文对于探讨和解释超晶格材料的热特性具有指导意义.
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