• Acta Physica Sinica
  • Vol. 69, Issue 3, 033101-1 (2020)
Ying-Guang Liu*, Yong-Qing Bian, and Zhong-He Han
DOI: 10.7498/aps.69.20190627 Cite this Article
Ying-Guang Liu, Yong-Qing Bian, Zhong-He Han. Heat transport behavior of bicrystal ZnO containing tilt grain boundary[J]. Acta Physica Sinica, 2020, 69(3): 033101-1 Copy Citation Text show less
Structures of the 5.45° grain boundary (GB) (left) and the 38.94° GB (right) in bicrystal ZnO.含5.45°晶界(左)和38.94°晶界(右)的双晶ZnO结构
Fig. 1. Structures of the 5.45° grain boundary (GB) (left) and the 38.94° GB (right) in bicrystal ZnO.含5.45°晶界(左)和38.94°晶界(右)的双晶ZnO结构
Schematic diagram of the NEMD model for calculating the thermal properties.NEMD模拟计算热性质的示意图
Fig. 2. Schematic diagram of the NEMD model for calculating the thermal properties.NEMD模拟计算热性质的示意图
The GB energy and dislocation density as a function of misorientation angle.晶界能和位错密度与倾斜角的关系
Fig. 3. The GB energy and dislocation density as a function of misorientation angle.晶界能和位错密度与倾斜角的关系
Kapitza resistance as a function of misorientation angle.卡皮查热阻与倾斜角的关系
Fig. 4. Kapitza resistance as a function of misorientation angle.卡皮查热阻与倾斜角的关系
Kapitza resistance as a function of sample length at 300 K.300 K时卡皮查热阻与样本长度的关系
Fig. 5. Kapitza resistance as a function of sample length at 300 K.300 K时卡皮查热阻与样本长度的关系
Thermal conductivity as a function of sample length.热导率与样本长度的关系
Fig. 6. Thermal conductivity as a function of sample length.热导率与样本长度的关系
Temperature-dependent Kapitza resistance for the 5.45° and 38.94° GBs.5.45°和38.95°晶界结构的卡皮查热阻随温度的变化
Fig. 7. Temperature-dependent Kapitza resistance for the 5.45° and 38.94° GBs.5.45°和38.95°晶界结构的卡皮查热阻随温度的变化
Temperature-dependent thermal conductivity for the 5.45° and 38.94° GBs.5.45°和38.95°晶界结构的热导率随温度的变化
Fig. 8. Temperature-dependent thermal conductivity for the 5.45° and 38.94° GBs.5.45°和38.95°晶界结构的热导率随温度的变化
Phonon density of states for the 5.45° and 38.94° GBs.5.45°和38.94°晶界结构的声子态密度比较
Fig. 9. Phonon density of states for the 5.45° and 38.94° GBs.5.45°和38.94°晶界结构的声子态密度比较
Tilt angle θ/(°) Σ
5.45221
11.42101
20.02149
25.9889
30.5165
36.865
38.949
53.135
60.03
67.3813
Table 1.

List of the symmetrical tilt angles and the corresponding Σ values.

对称倾斜角度与对应的Σ

Ying-Guang Liu, Yong-Qing Bian, Zhong-He Han. Heat transport behavior of bicrystal ZnO containing tilt grain boundary[J]. Acta Physica Sinica, 2020, 69(3): 033101-1
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