Synthesis of a Porous [14]Annulene Graphene Nanoribbon and a Porous [30]Annulene Graphene Nanosheet on Metal Surfaces

The electrical and mechanical properties of graphene-based materials can be tuned by the introduction of nanopores, which are sensitively related to the size, morphology, density, and location of nanopores. The synthesis of low-dimensional graphene nanostructures containing well-defined nonplanar nanopores has been challenging due to the intrinsic steric hindrance. Herein, we report the selective synthesis of one-dimensional (1D) graphene nanoribbons (GNRs) containing periodic nonplanar [14]annulene pores on Ag(111) and two-dimensional (2D) porous graphene nanosheet containing periodic nonplanar [30]annulene pores on Au(111), starting from a same precursor. The formation of distinct products on the two substrates originates from the different thermodynamics and kinetics of coupling reactions. The reaction mechanisms were confirmed by a series of control experiments, and the appropriate thermodynamic and kinetic parameters for optimizing the reaction pathways were proposed. In addition, the combined scanning tunneling spectroscopy (STS) and density functional theory (DFT) calculations revealed the electronic structures of porous graphene structures, demonstrating the impact of nonplanar pores on the π-conjugation of molecules.     

Synthesis and characterization of a novel high thermally stable energy compound： 1-（1-Adamantylamino）-2,4,6-trinitrobenzene

1-（1-Adamantylamino）-2,4,6-trinitrobenzene （1） as a potential energy material has been synthesized in excellent yield and characterized by FT-IR, 1H NMR and single crystallographic methods, and is thermally stable, decomposed in the range of 215- 72℃.     

Preparation, Crystal Structure, and Thermal Analysis of Carbohydrazide Trinitrophloroglucinolate

A new compound （CHZ）（HTNPG）·0.5H2O was synthesized by mixing carbohydrazide（CHZ） and trinitrophloroglucinol（TNPG） and characterized by elemental analysis and Fourier transform infrared （FTIR） spectrum. Its crystal structure was determined by single crystal X-ray diffraction analysis. The crystal belongs to triclinic system, P1 space group, with a=0.45578（9） nm, b=1.0142（2） nm, c=1.3041（3） nm, α=86.53（3）°, β=99.56（3）°, γ=81.94（3）°, V= 0.5958（2） nm^3, Z=2, Dc=2.008 g/cm^3, R1=0.0476, and wR2=0.1139. The compound is a di-substituted salt of TNPG, which consists of a cation （CHZ）^2＋ and an anion （HTNPG）^2-. The thermal analysis of the compound was studied by means of differential scanning calorimetry（DSC） and thermogravimetry-derivative thermogravimetry（TG-DTG）. Under nitrogen atmosphere at a heating rate of 10 ℃/min, the thermal decomposition of the compound contained one endothermic process of dehydrating stage and two intense exothermic decomposition processes in a temperature range of 140--232 ℃ on the DSC trace. The decomposition products of the title compound are nearly gaseous products. The existing complicated hydrogen bond networks and electrostatic attraction between （CHZ）^2＋ and （HTNPG）^2- enhance the thermal stability of the title compound.     

Synthesis,Structure, and Energetic Properties of 1,5‐Diaminotetrazolium Sulfate Salts

1,5‐diaminotetrazolium chloride (DATC) and 1,5‐diaminotetrazolium sulfate (DATS) were synthesized in this work. The structures of DATS and DATC were characterized. The single crystal of DATS was first cultured, and its structure was analyzed. The thermal behavior of DATS was investigated. The activation energy and pro‐exponential factor were calculated, E_k = 120.86 KJ/mol, A_k = 10^12.96 s^?1. The density, heat of formation, detonation pressure, and detonation velocity of DATS were first calculated. The detonation pressure and detonation velocity of DATS are P = 11.877 GPa, D = 5.617 km s^?1, which are smaller than those of 1,5‐diaminotetrazolium nitrate (DATN) (P = 33.3GPa, D = 8.77 km s^?1).     

Study on two coordination compounds using semicarbazide (SCZ) as bidentate ligand: {[\hbox{Ni}(\hbox{SCZ})_{3}](\hbox{NO}_{3})_{2}} and {\hbox{Cu}(\hbox{SCZ})_{2}\hbox{Cl}_{2}}

Two coordination compounds have been synthesized using semicarbazide as ligand- ${[\hbox{Ni}(\hbox{SCZ})_{3}](\hbox{NO}_{3})_{2}}$ (1) and ${\hbox{Cu}(\hbox{SCZ})_{2}\hbox{Cl}_{2}}$ (2). (1) crystallized as the monoclinic, P2(1)/c space group, a = 10.832(2) Å, b = 9.980(2) Å, c = 13.801(3) Å, β = 102.89(3)°; (2) crystallized as the monoclinic, P2(1)/c space group, a = 7.541(1) Å, b = 9.275(1) Å, c = 6.875(1) Å, β = 101.48(1)°. In both compounds, semicarbazides coordinate to nickel(II) or copper(II) centers to form the 5-member ring system. With the intermolecular hydrogen bonds, molecules are linked together to form the three-dimensional packing diagrams. Thermal decomposition mechanisms of both compounds were predicted based on DSC, TG-DTG and FTIR analyses.     

考虑环境温、湿度的球形装药爆炸冲击波参数计算模型

为获得实际温、湿度环境中冲击波参数计算模型,计算了考虑温、湿度的理想气体状态方程参数,利用SPEED软件,针对典型状态空气中球形装药爆炸过程进行数值模拟,得到了温、湿度对爆炸冲击波参数的影响规律。结果表明,温度和相对湿度对冲击波超压的影响较小,而正压作用时间和冲量随温度和相对湿度的升高均呈线性递减关系,在高温高湿和寒冷干燥条件下,冲击波正压作用时间和冲量相差分别达21.8%和18.4%。以经典工程计算模型为基础,通过引入含有温度、湿度和对比距离的修正因子,建立了考虑环境温、湿度的球形装药爆炸冲击波参数的计算模型。采用该模型计算得到的不同药量球形TNT爆炸冲击波参数与数值仿真结果吻合较好,可对装药在实际环境中威力评估提供参考。     

石英玻璃圆环高速膨胀碎裂过程的离散元模拟

采用离散元算法模拟了石英玻璃圆环受到外加动态载荷时的力学行为. 首先基于flat-jointed粘结模型,通过标准的单轴拉压、三点弯曲等数值实验来标定了石英玻璃的微观参数. 在此模型基础上,数值模拟再现了石英玻璃圆环在不同应变率下的膨胀碎裂过程. 为定量分析数值模拟结果,需要准确确定圆环的碎裂发生时刻. 模拟发现:伴随着石英玻璃圆环的断裂,圆环外表面粒子径向膨胀速度的时程曲线会发生突然升高然后下降的跳动;详细分析表明,这种跳动源自周向的脆性断裂诱发的卸载波(周向拉伸应力急剧下降)以及伴随而来的泊松膨胀,这种径向速度跳动现象为实验中检测脆性断裂发生时刻提供了可能. 进一步的数值研究表明:(1)石英玻璃圆环的断裂应变随着应变率的提高而增大,与韧性金属材料的膨胀环实验结果一致;(2)石英玻璃圆环的碎片平均质量随着应变率的增大而减小;(3)数值计算获得的碎片平均尺寸与已有的理论和实验结果比较吻合. 利用液压膨胀环实验装置对石英玻璃圆环进行了验证性实验,回收得到的碎片形貌及碎片个数与数值模拟的结果基本一致.      

Experimental investigations of mechanical and reaction responses for drop-weight impacted energetic particles

Low-velocity drop-weight impact experiments on individual and multiple Cyclotetramethylene tetranitramine (HMX) energetic particles were performed using a modified drop-weight machine equipped with high-speed photogra-phy components. Multiple particles experienced more severe burning reactions than an individual particle. Comparisons between impacted salt and HMX particle show that jetting in HMX is mainly due to the motion of fragmented parti-cles driven by gaseous reaction products. Velocity of jetting, flame propagation, and area expansion were measured via image processing, making it possible to quantify the chemi-cal reaction or mechanical deformation violence at different stages.     

Dual-Light-Path Optical Strain Gauge Using Diffraction Grating and Position-Sensitive Detectors for Deformation Measurement

In this paper, a dual-light-path optical strain gauge (DOSG) that measures surface deformation in real time using diffraction grating and position-sensitive detectors (PSDs) is proposed. In the DOSG, a beam splitter cube is utilized to divide an incident beam into two beams. One is applied in the main light path to measure specimen deformation, while the other is used in the assistant light path to eliminate disturbances from out-of-plane rotation and displacement of the specimen. Further, the disturbances as systemic errors are theoretically analyzed, and eliminated with the assistant light path during the experiment. Meanwhile, random errors, which are primarily due to ambient light, beam power, irradiation position and incidence angle, are studied to improve measurement accuracy. Benefiting from the utility of PSDs, the developed system achieves a strain resolution of 1 με. In experiments, uniaxial tensile tests of aluminum alloy and Ni-based alloy confirm that the relative error of its elastic moduli is less than 3.4%, and the stress-strain curve exhibits a R-square value greater than 0.9951. In addition, the DOSG is extended to determine the mechanical behavior of Ni-based alloy at high temperatures up to 800 °C by combining it with an induction-heating apparatus and a tensile testing machine. These results verify that the proposed DOSG is feasible and reliable, with good potential for high-precision deformation measurement in both room temperature and high-temperature environments.