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PETN为基的高聚物粘结炸药(PBX)力学性能的MD模拟
引用本文:王艳群,肖继军. PETN为基的高聚物粘结炸药(PBX)力学性能的MD模拟[J]. 长江大学学报, 2007, 4(2): 44-46
作者姓名:王艳群  肖继军
作者单位:长江大学化学与环境工程学院,湖北,荆州,434023;南京理工大学化学系,江苏,南京,2100094;长江大学化学与环境工程学院,湖北,荆州,434023;南京理工大学化学系,江苏,南京,2100094
摘    要:
PETN(季戊四醇四硝酸酯,又名太安)是爆炸性能优良的硝酸酯类高能炸药的典型,该研究将其选作高聚物粘结炸药(PBX)中的基炸药。选择聚偏二氟乙烯、聚三氟氯乙烯、F2311和F2314作为粘结剂,对PETN及其与这4种含氟聚合物组成的PBX,用国际上流行的Materials Studio软件中的DISCOV-ER模块,以先进的COMPASS力场,主要模拟研究了PETN基PBX在不同温度下的力学性能。发现随温度升高,PBX的刚性减小,弹塑性增强。

关 键 词:季戊四醇四硝酸酯  高聚物粘结炸药  分子动力学  力学性能  温度
文章编号:1673-1409(2007)02-N044-03
修稿时间:2007-03-28

MD simulation of mechanical Propertites of PETN- based PBX
WANG Yan-qun,XIAO Ji-jun. MD simulation of mechanical Propertites of PETN- based PBX[J]. Journal of Yangtze University, 2007, 4(2): 44-46
Authors:WANG Yan-qun  XIAO Ji-jun
Abstract:
PETN (Pentaerythritol tetranitrate) is a typical nitric acid ester of high explosive with good explosion property. It is chosen as the base of polymer bonded explosive (PBX).The tool of Discover in the international popular software Materials Studio and the advanced COMPASS force field are adopted to simulate mechanical properties of PETN and PETN-based PBX at different temperatures,which is coated with four fluorine-containing polymers.It is found that the rigidity of PBX decreases and the flexibility increases with the increasing of temperature.
Keywords:pentaerythritol tetranitrate  polymer bonded explosive  molecular dynamics  mechanical property  temperature
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