火炸药学报2016，Vol.39Issue(6)：32-37,6.DOI:10.14077/j.issn.1007-7812.2016.06.005
黑梯炸药力学性能与感度的分子动力学研究
Molecular Dynamics Research on Mechanical Properties and Sensitivityof RDX-TNT Explosive
摘要
Abstract
To research the effect of formulation on mechanical properties and sensitivity of the RDX-TNT explosive, the crystal cell models of different RDX-TNT explosives were established by Materials Studio (MS) software.Using molecular dynamics method, the mechanical properties, trigger bond length distribution, interaction energy of trigger bond diatom and cohesive energy density of the TNT-RDX explosive with different formulations were calculated and compared.The results show that with increasing the mass ratio of RDX in RDX-TNT explosive from 30% to 80%, the mechanical properties of the RDX-TNT explosive fluctuate at a certain range, in which,the change range of tensile modulus,shear modulus,bulk modulus, Cauchy pressure and poisson′s ration are 1.7723-2.8251GPa,0.6366-1.0428GPa,2.7341-3.7479GPa,1.2032-2.1816GPa and 0.3546-0.3970,respectively.While the maximum trigger bond length increases from 0.1554nm to 0.1626nm, the interaction energy of trigger bond decreases from 167.6kJ/mol to 152.3kJ/mol and cohesive energy density decreases from 0.899kJ/cm3 to 0.678kJ/cm3, indicating that the sensitivity of the RDX-TNT explosive increases.关键词
物理化学/黑梯炸药/力学性能/MaterialsStudio/分子动力学/感度Key words
physical chemistry/RDX-TNT explosive/mechanical properties/Materials Studio/molecular dynamics/sensitivity分类
军事科技引用本文复制引用
杭贵云,余文力,王涛,李臻..黑梯炸药力学性能与感度的分子动力学研究[J].火炸药学报,2016,39(6):32-37,6.基金项目
武器装备预先研究项目(No.403020302) （No.403020302）
