| TATB/聚三氟氯乙烯复合材料力学性能的MD模拟 |
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| 作者单位： | 南京理工大学化工学院,南京,210094;江苏工业学院化工系,常州,213016 |
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| 基金项目： | 国家自然科学基金;国家自然科学基金 |
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| 摘 要： |
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| 关 键 词： | 1 3 5-triamino-2 4 6-trinitrobenzene 聚三氟氯乙烯 高聚物粘结炸药 分子动力学 力学性能 |
Molecular Dynamics Simulation on Mechanical Properties of TATB/PCTFE Composite Material |
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| Authors: | Ma Xiufang Xiao Jijun Yin Kailiang Xiao Heming |
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| Abstract: | Molecular dynamics（MD）was performed to simulate and calculate the combination energy and static mechanical properties（i. e. elastic coefficient，modulus and poisson's ratio）of composite material，1，3，5-triamino-2，4，6-trinitrobenzene coated with polychlorotrifluoethylene（TATB / PCTFE）. It is found that the intermolecular interaction especially H-bond is quite strong. The results show that the elastic properties of Fluorine-Polymer Bonded Explosive（PBX）have changed much compared to those of pure TATB. Its tensile modulus，bulk modulus and shear modulus are reduced evidently. The rigidity of PBX is lowered while the elasticity is increased，which manifests the mechanical property of PBX is improved greatly. |
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| Keywords: | 1，3，5-triamino-2，4，6-trinitrobenzene，Polychlorotrifluoethylene，Polymer Bonded Explosive，Molecular dynamics，Mechanical property |
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