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引用本文格式: Miao Shuang,Wang Tao,Wang Yu-Ling. Theoretical Calculation on Effects of Void Defects on Properties of Composition B [J]. J. At. Mol. Phys., 2019, 36: 675 (in Chinese) [苗爽,王涛,王玉玲. 孔洞缺陷对B炸药性能影响的理论计算 [J]. 原子与分子物理学报, 2019, 36: 675]
 
孔洞缺陷对B炸药性能影响的理论计算
Theoretical Calculation on Effects of Void Defects on Properties of Composition B
摘要点击 113  全文点击 25  投稿时间:2018-07-18  修订日期:2018-08-17
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DOI编号   
中文关键词   物理化学  B炸药  孔洞  感度  爆轰性能  力学性能
英文关键词   physical chemistry  Composition B  Void defect  sensitivity  detonation properties  mechanical properties
基金项目   
作者单位E-mail
苗爽 火箭军工程大学 2474524959@qq.com 
王涛 火箭军工程大学 wtao009@163.com 
王玉玲 火箭军工程大学 Rocket Force University of Engineering 
中文摘要
    为探究孔洞缺陷及其大小对B炸药性能的影响,建立了3种空位缺陷浓度一致但孔洞大小不同的B炸药缺陷模型。采用分子动力学方法,计算得到了不同B炸药模型与感度、结合能、爆轰性能和力学性能相关的参数并进行了比较。结果表明,缺陷模型的键连双原子作用能和内聚能密度下降了9.93~23.88 kJ•mol-1和0.0082~0.0254 kJ•cm-3,表明孔洞缺陷的存在使B炸药更敏感,且孔洞越大,敏感程度越高。缺陷模型的结合能下降了368.43~391.46 kJ•mol-1,表明孔洞缺陷导致B炸药的稳定性下降,且孔洞越大,稳定性越差。孔洞缺陷对B炸药的爆轰性能影响比较微弱,受密度下降的影响,爆速和爆压轻微下降。孔洞缺陷导致B炸药的弹性模量、体积模量、剪切模量和柯西压分别下降0.21~1.24 GPa、0.23~1.46 GPa;0.08~0.48 GPa以及0.09~0.44 GPa,体积模量与剪切模量的比值几乎不变,表明孔洞缺陷导致B炸药的抗变形能力和延展性变差。
英文摘要
    To investigate the effects of void defects and their size on the properties of Composition B, three defective models with same vacancy concentration but different sizes were established. Using molecular dynamics method, the parameters related to sensitivity, binding energy, detonation performance and mechanical properties of different Composition B models were obtained and compared. The results show that the interaction energy of trigger bond and cohesive energy density of the defective models are decreased by 9.93~23.88 kJ•mol-1 and 0.0082~0.0254 kJ•cm-3, respectively, indicating that the existence of void defects causes Composition B to be more sensitive, and the bigger the void, the higher the sensitivity. The binding energies of the defective models decreased by 368.43~391.46 kJ•mol-1, indicating that the void defect caused the stability of Composition B to decrease, and the larger the void, the worse the stability. The void defect has a slight effect on the detonation performance of Composition B. Due to the decrease of density, the detonation velocity and the detonation pressure decrease slightly. The void defect causes the elastic modulus, bulk modulus, shear modulus and Cauchy pressure of Composition B to decrease by 0.21~1.24 GPa, 0.23~1.46 GPa, 0.08~0.48 GPa and 0.09~0.44 GPa, The ratio of the bulk modulus and shear modulus is almost constant, indicating that the void defect causes the deformation resistance and ductility of the Composition B to deteriorate.

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