Hang Fan, Guan-Song He, Zhi-Jian Yang, Fu-De Nie, Peng-Wan Chen. Theoretical study of interface thermodynamic properties of 1,3,5-triamino-2,4,6-trinitrobenzene based polymer bonded explosives [J]. Acta Physica Sinica, 2019, 68(10): 106201-1
- Acta Physica Sinica
- Vol. 68, Issue 10, 106201-1 (2019)
Fig. 1. The crystal structure of TATB (a), and PVDF (b).TATB和PVDF晶体结构图
Fig. 2. The phonon dispersion relation of TATB (a), and PVDF (b); (c) the heat capacity of TATB as a function of temperature; the Brillouin zone and high symmetry points of TATB (d), and PVDF (e).(a), (b) TATB和PVDF声子色散曲线; (c) TATB晶格热容随温度的变化; (d), (e) TATB和PVDF第一布里渊区高对称点积分路径
Fig. 3. Decomposition of the gamma-point eigenmodes of TATB (a), and PVDF (b); the weighted phonon density of states of TATB (c), and PVDF (d).(a), (b) TATB和PVDF的Γ 点声子模分析; (c), (d) TATB和PVDF的加权声子态密度和声子态密度(小图)
Fig. 4. (a) The interface thermal conductance of TATB-PVDF as a function of temperature; (b) phonon transmission of TATB-PVDF interface as a function of frequency.(a) TATB-PVDF界面热导率随温度变化情况; (b) TATB-PVDF界面声子透射率(黑)和累积热导率(红)
Fig. 5. (a) EMD calculation of TATB thermal conductivity; (b) thermal conductivity of TATB-based PBXs as a function of particle size.(a) EMD方法计算TATB热导率结果; (b) TATB基PBX炸药热导率随颗粒尺寸的变化
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Table 1.
Comparison of the Raman modes of TATB crystal obtained in the present and previous calculations with experimental results.
TATB部分Raman活性模计算数值与文献结果的比较
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