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- W2346475782 abstract "为探讨和比较在e-CL-20 （六硝基六氮杂异伍兹烷）（001）、（110）和（020）晶面上的e-CL-20/PVA（聚乙烯醇）与e-CL-20/PEG（聚乙二醇）复合物的稳定性和力学性能,在COMPASS力场下,对e-CL-20/PVA与e-CL-20/PEG进行了常温常压分子动力学（MD）模拟研究。求得其内聚能密度（CED）,结合能（Ebind）和弹性参数（拉伸模量E、剪切模量G、体积模量K、泊松比ν和柯西压C12-C44）。结果表明,在相同晶面上,e-CL-20/PEG的CED比e-CL-20/PVA的大,表明前者稳定性优于后者。对于同一复合物,其CED排序为（020）〉（001）〉（110）。在相同晶面上,PEG与晶面的Ebind比PVA的大。对同一复合物,其Ebind大小次序为（001）〉（110）〉（020）。依据泊松比和K/G值,e-CL-20/PEG的弹性和延展性均优于e-CL-20/PVA。" @default.
- W2346475782 created "2016-06-24" @default.
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- W2346475782 date "2016-01-19" @default.
- W2346475782 modified "2023-09-27" @default.
- W2346475782 title "ε-CL-20不同晶面与PVA、PEG复合物的MD模拟" @default.
- W2346475782 doi "https://doi.org/10.11943/j.issn.1006-9941.2016.02.003" @default.
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