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.     

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.     

基于QFD及粗糙集的保障能力需求满足度评价方法

针对传统能力评价中指标及其权重的确定具有不一致性和不确定性特点,提出了一种以保障能力需求满足度为依据的评价方法。利用由保障能力-保障性能-保障特性映射的质量屋信息,按照构建质量屋的反方向将保障特性满足度转化为保障能力满足度。为了有效处理模糊和不确定的保障特性评价信息,采用粗糙集理论将评价数据表达为粗糙数形式。最后举例验证了方法的有效性。     

时滞细胞神经网络的代数抗饱和补偿设计

针对时滞细胞神经网络,提出了一种基于代数判据的抗饱和补偿设计。运用M矩阵理论、迪尼导数、系统参数设计了无饱和输入限制系统镇定的代数判据。在此基础上,利用不等式放缩原理、分区讨论与大中取大综合方法和Lyapunov理论,得出了二次矩阵不等式形式的抗饱和控制设计方案,进而将之转化为线性矩阵不等式。同时,给出了吸引域及其最大化方法。仿真验证了该设计方案的可行性和有效性。     

一种结合弹道规律的模糊交互式多模型算法

针对交互式多模型算法中转移概率矩阵与实际运动不匹配而影响跟踪精度的问题,通过分析某型导弹的典型弹道,将弹道规律融合到模型概率转移矩阵中,然后将转移概率模糊化处理,提出了一种基于弹道规律的模糊交互式多模型算法,然后以导弹蛇形运动转至比例导引的机动过程为例进行了仿真验证,比较了典型交互式多模型算法和模糊交互式多模型算法的跟踪性能。仿真结果表明:该算法可显著提高导弹机动段的跟踪精度。