火炸药学报2016，Vol.39Issue(3)：32-36,5.DOI:10.14077/j.issn.1007-7812.2016.03.006
PBX9501热感度、热膨胀及力学性能的分子动力学模拟
Molecular Dynamics Simulation of Thermal Sensitivity,Thermal Expansion and Mechanical Properties of PBX9501
摘要
Abstract
Molecular dynamics simulation was used to explore the thermal sensitivity ,thermal expansion and mechanical properties of PBX9501 explosive at different temperatures and pressures .The change in maximum trigger bond lengths of components in the sysem was used to judge the influence of temperature on the thermal sensitivity of the system .The ther‐mal expansion coefficients at different temperatures were predicted .The variations of mechanical properties with tempera‐tures and pressures were analyzed by static mechanics theory .The results show that the sensitivity of PBX9501 increases with increasing temperature in the range of 295-450 K and the maximum trigger bond length increases significantly at 375 K .The thermal expansion coefficient decreases with the increase of temperature .The brittleness is more remarkable with increasing temperature ,and the toughness is better with increasing pressure .关键词
物理化学/PBX9501/分子动力学模拟/热感度/热膨胀/力学性能/引发键Key words
physical chemistry/PBX9501/molecular dynamics simulation/thermal sensitivity/thermal expansion/mechanical properties/trigger bond分类
武器工业引用本文复制引用
张文英,邓晓雅,陈思瑾,吕臻珂,洪慧玲,袁帅,唐红,豆育升..PBX9501热感度、热膨胀及力学性能的分子动力学模拟[J].火炸药学报,2016,39(3):32-36,5.基金项目
国家自然科学基金资助（U 1330138和21203259）；重庆市教委科学技术项目 （）
