Theoretical calculation and experimental study on the interaction mechanism between TKX-50 and AP

The combination of 5,5′-bistetrazole-1,1′-diolate (TKX-50) and ammonium perchlorate (AP) can make greater use of the chemical energy of TKX-50 based energetic materials. The research on the interaction mechanism between TKX-50 and AP is very important for designing TKX-50-AP compounds and judging the formation feasibility of composite particles, which can lay a theoretical foundation for the preparation of TKX-50-AP mixed crystals and the application of TKX-50 in propellant, propellant and explosive. Herein, in order to research the interaction mechanism between TKX-50 and AP, density-functional theory calculation was applied to optimize three configurations of TKX-50-AP compounds. The geometry structure, electrostatic potential and binding energy of the compounds were predicted, and the electronic density topological analysis was also carried out. Then TKX-50-AP mixed crystals structures were constructed, and the radial distribution function of H–O and H–N in mixed crystals was calculated. Finally, solvent/non-solvent method was applied to prepare TKX-50-AP composites, and the infrared spectroscopy and the non-isothermal decomposition performance of the composites were characterized. Results show that the superposition of positive charges in TKX-50 molecule and negative charges in AP makes the electrostatic potential distributions of TKX-50-AP compounds different from that of TKX-50 and AP. The interaction energies of TKX-50-AP 1, TKX-50-AP 2 and TKX-50-AP 3 are 39.743 kJ/mol, 61.206 kJ/mol and 27.702 kJ/mol, respectively. The interaction between TKX-50 molecules and AP molecules in TKX-50-AP mixed crystals both depends on hydrogen bonds and van der Waals force, and the number and strength of hydrogen bonds are significantly greater than that of van der Waals force. The composition of AP and TKX-50 makes the absorption peak of the five-membered rings and NH₃OH⁺ of TKX-50 shift to low wavenumber in the infrared spectroscopy. In general, TKX-50 interacts with AP via hydrogen bonds and van der Waals force, and the calculated results are in good agreement with the experimental results. The composition of TKX-50 and AP can also prolong the decomposition process.     

论科学社会主义理论与实践的新发展

科学社会主义理论是一个开放的体系,具有与时俱进的理论品质。中国改革开放的伟大实践有力推动了科学社会主义理论的发展,社会主义事业将不断发展,科学社会主义理论也将得到不断发展。     

理想气体绝热过程的微观实质

从分子动理论出发,建立理想气体绝热过程的微观模型,用麦克斯韦速度分布函数导出其过程方程.     

基于邻域灰度分布的IR弱小目标检测

图像中邻域内灰度起伏程度越大 ,各点灰度值占邻域内总灰度值的比率的平方和越大 ,由此提出了一种基于邻域灰度分布的弱小目标检测方法。同时考虑到复杂自然背景 ,特别是背景中含有大量边缘和高频点的情况 ,提出了目标检测的改进方法。最后 ,利用邻域判决法实现运动目标的进一步分离。实验表明该方法能够极大地减少候选目标点数 ,准确有效地检测复杂自然背景中的红外运动弱小目标 ,适合于实时和多目标的检测     

Minimizing weighted earliness and tardiness penalties in single‐machine scheduling with idle time permitted

In this paper, a single‐machine scheduling problem with weighted earliness and tardiness penalties is considered. Idle time between two adjacent jobs is permitted and due dates of jobs could be unequal. The dominance rules are utilized to develop a relationship matrix, which allows a branch‐and‐bound algorithm to eliminate a high percentage of infeasible solutions. After combining this matrix with a branching strategy, a procedure to solve the problem is proposed. © 2002 Wiley Periodicals, Inc. Naval Research Logistics 49: 760–780, 2002; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/nav.10039     

基于分形理论的目标航路预测

电磁干扰条件下解决断续航路预测问题对防空兵有效抗击空中目标至关重要。针对包络灰预测方法预测精度较低和Verhulst灰色预测模型计算过程复杂的情况,提出了预测航路的分形方法。在分形理论的基础上,研究了其用于目标断续航路预测的基本思路,建立了基于分形的目标航路预测模型,并对模型进行了求解。最后,利用建立的分形模型对雷达丢失目标后的目标航路进行了预测,通过实例体现了分形方法在用于航路预测时的准确性、灵活性和易实现等特点。结果表明,用该法对断续目标航路的预测具有一定的借鉴意义。     

基于约束条件的海上机动目标位置长期预测模型

海上目标运动模型已经有很多,但是对海上机动目标位置的长期预测问题还没有得到很好的解决。灰色系统理论是解决时间序列问题的有效工具,将其与海上机动目标的运动特点相结合,可以较准确地预测海上机动目标在未来较长时期内的位置分布,为引导卫星搜索海上机动目标提供理论依据。     

引入权重因子的证据合成方法

D-S理论是一种有效的不确定性推理方法,但在证据完全冲突或冲突较大时,D-S证据合成公式失效.Yager等学者对此作了改进,但是改进后合成公式又存在着新的问题.考虑到证据在合成过程中的重要程度不同,将权重因子引入到合成公式中,通过权重因子的作用和冲突概率的重新分配,提出了引入权重因子的D-S证据合成方法,新的合成公式提高了证据合成的可靠性和合理性,可得到更为理想的合成结果.     

军品能力建设项目后的一种评价方法

由于军品的特殊性,其后评价标准与其他民品项目有所不同,根据军品技改项目的特点结合一般项目后评价内容,确定了军品技改项目后评价指标体系,共分为项目目标评价、项目实施管理评价、项目生产运营评价、项目生产力评价、项目经营效益评价、项目影响评价和项目持续性评价等7部分25个指标小项,并采用层次灰色法建立了军品技改项目后评价模型,为客观科学地进行军品技改项目的后评价提供了依据.     

基于灰度关联和神经网络的装备价格第三方服务机构评价模型

为了科学合理选择装备价格第三方服务机构,研究以灰度关联分析和神经网络方法构建评价模型。研究数据采用问卷调研形式获取,针对样本数据采用灰度关联法分析评价指标与综合评分之间的关联性,发现服务态度和制度建设情况两个评价指标与综合评分关联度达0.74以上,较为重要。采用有效二级指标和综合评分作为输入和输出数据,构建基于神经网络的装备价格第三方服务机构评价模型。通过实际数据验证分析,发现神经网络模型预测精准的概率为75%,预测满足要求的概率为25%,满足实际应用需求,能够为主管部门遴选机构建言献策。