具有孤立缺陷的基本链模型的Kapitza阻力
Kapitza resistance in basic chain models with isolated defects
摘要：
Kapitza热阻是材料界面的共同特征。它被定义为界面处的热降与流过界面的热通量之比。人们预期，这种电阻将取决于界面的结构和温度。我们解决了一维链模型中的热传导同位素和/或耦合缺陷，并探讨相互作用势和Kapitza电阻的模拟性能之间的关系。据透露，在线性模型中的Kapitza电阻是定义良好的和大小无关（相反的体积导热系数），但取决于在模拟中使用的恒温器的参数。对于$β$-FPU模型，还遇到对恒温器的依赖;此外，模拟的边界电阻强烈地依赖于总系统尺寸。最后，在模型的特点是收敛体热导率（链的转子，弗伦克尔-Kontorova模型）的边界电阻是恒温器和大小无关，正如人们所期望的。在线性链中，Kapitza电阻与温度无关;因此，它的温度依赖性允许人们判断界面处声子散射过程中非线性相互作用的重要性。
英文摘要：
Kapitza thermal resistance is a common feature of material interfaces. It is defined as the ratio of the thermal drop at the interface to the heat flux flowing across the interface. One expects that this resistance will depend on the structure of the interface and on the temperature. We address the heat conduction in one-dimensional chain models with isotopic and/or coupling defects and explore the relationship between the interaction potentials and simulated properties of the Kapitza resistance. It is revealed that in linear models the Kapitza resistance is well-defined and size-independent (contrary to the bulk heat conduction coefficient), but depends on the parameters of thermostats used in the simulation. For $β$-FPU model one also encounters the dependence on the thermostats; in addition, the simulated boundary resistance strongly depends on the total system size. Finally, in the models characterized by convergent bulk heat conductivity (chain of rotators, Frenkel-Kontorova model) the boundary resistance is thermostat- and size-independent, as one expects. In linear chains, the Kapitza resistance is temperature-independent; thus, its temperature dependence allows one to judge on significance of the nonlinear interactions in the phonon scattering processes at the interface.
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