Density Functional Theory Study of the Point Defects on KDP (100) and (101) Surfaces

Surface defects are usually associated with the formation of other forms of expansion defects in crystals, which have an impact on the crystals’ growth quality and optical properties. Thereby, the structure, stability, and electronic structure of the hydrogen and oxygen vacancy defects (V_H and V_O) on the (100) and (101) growth surfaces of KDP crystals were studied by using density functional theory. The effects of acidic and alkaline environments on the structure and properties of surface defects were also discussed. It has been found that the considered vacancy defects have different properties on the (100) and (101) surfaces, especially those that have been reported in the bulk KDP crystals. The (100) surface has a strong tolerance for surface V_H and V_O defects, while the V_O defect causes a large lattice relaxation on the (101) surface and introduces a deep defect level in the band gap, which damages the optical properties of KDP crystals. In addition, the results show that the acidic environment is conducive to the repair of the V_H defects on the surface and can eliminate the defect states introduced by the surface V_O defects, which is conducive to improving the quality of the crystal surface and reducing the defect density. Our study opens up a new way to understand the structure and properties of surface defects in KDP crystals, which are different from the bulk phase, and also provides a theoretical basis for experimentally regulating the surface defects in KDP crystals through an acidic environment.     

Solid Sampling Pyrolysis Adsorption-Desorption Thermal Conductivity Method for Rapid and Simultaneous Detection of N and S in Seafood

In this work, a rapid method for the simultaneous determination of N and S in seafood was established based on a solid sampling absorption-desorption system coupled with a thermal conductivity detector. This setup mainly includes a solid sampling system, a gas line unit for controlling high-purity oxygen and helium, a combustion and reduction furnace, a purification column system for moisture, halogen, SO₂, and CO₂, and a thermal conductivity detector. After two stages of purging with 20 s of He sweeping (250 mL/min), N₂ residue in the sample-containing chamber can be reduced to <0.01% to improve the device’s analytical sensitivity and precision. Herein, 100 s of heating at 900 °C was chosen as the optimized decomposition condition. After the generated SO₂, H₂O, and CO₂ were absorbed by the adsorption column in turn, the purification process executed the vaporization of the N-containing analyte, and then N₂ was detected by the thermal conductivity cell for the quantification of N. Subsequently, the adsorbed SO₂ was released after heating the SO₂ adsorption column and then transported to the thermal conductivity cell for the detection and quantification of S. After the instrumental optimization, the linear range was 2.0–100 mg and the correlation coefficient (R) was more than 0.999. The limit of detection (LOD) for N was 0.66 μg and the R was less than 4.0%, while the recovery rate ranged from 95.33 to 102.8%. At the same time, the LOD for S was 2.29 μg and the R was less than 6.0%, while the recovery rate ranged from 92.26 to 105.5%. The method was validated using certified reference materials (CRMs) and the measured N and S concentrations agreed with the certified values. The method indicated good accuracy and precision for the simultaneous detection of N and S in seafood samples. The total time of analysis was less than 6 min without the sample preparation process, fulfilling the fast detection of N and S in seafood. The establishment of this method filled the blank space in the area of the simultaneous and rapid determination of N and S in aquatic product solids. Thus, it provided technical support effectively to the requirements of risk assessment and detection in cases where supervision inspection was time-dependent.     

Ultrabright AIEdots with tunable narrow emission for multiplexed fluorescence imaging

AIEgen doped fluorescent nanodots (AIEdots) have attracted lots of attention, due to their superior characteristics as fluorescent probes, such as excellent photostability, large Stokes shift, high brightness and tunable emission. Unfortunately, most of the currently available AIEdots exhibit broad emission bandwidth, which limits their applications in multiplexed fluorescence imaging and detection. In this work, the strategy of designing and fabricating narrow emissive AIEdots (NE-AIEdots) with tunable wavelengths was presented by constructing a light-harvesting system with high energy transfer efficiency. Efficient intra-particle energy transfer from highly doped AIEgens, serving as the light-harvesting antenna, to the lightly doped narrow emissive fluorophore, resulted in high brightness and narrow emission. The emission band of NE-AIEdots with the full-width-at-half-maximum varied from 18 to 36 nm was 3–6.3 times narrower than that of traditional AIEdots. The single-particle brightness of NE-AIEdots was over 5-times that of commercial quantum dots under the same excitation and collection conditions. Taking advantage of the superior performance of these NE-AIEdots, multiplexed fluorescence imaging of lymph nodes in living mice was realized, which supported the future applications of NE-AIEdots for in vivo multiplexed labeling and clinical surgery.

AIEdots with high brightness and narrow emission bandwidth were developed for multiplexed in vitro and in vivo fluorescence imaging.     

脉冲大电流放电引爆含能材料产生冲击波的储层改造

介绍了复合电热化学法产生冲击波的机理和冲击波改善储层物性的机制;给出了脉冲大电流引爆含能材料弹丸的结构和典型的放电参数,开展了冲击波致裂储层的实验研究;检测了样品在冲击作用下的动态应变及影响储层解吸附特性的关键参数（包括孔隙度、渗透率、抗拉、抗压强度等）,并在实验前后进行了测量和对比。研究表明,电热化学法产生的冲击波可在圆柱形砂岩样品上产生幅值为1000~1500的应变量,使砂岩出现了宏观裂缝;样品平均孔隙度由15.24%增至15.62%,平均渗透率由1.749 0910-3 m2增至2.467 0810-3 m2;抗压、抗拉和抗剪强度均下降了约30%。     

控制器组件γ瞬时辐射效应研究

瞬时电离辐射在电子器件内部形成的光电流可引起器件输出扰动,导致电路中部分器件受电源、输入信号及自身产生光电流扰动的多重影响,而单独对器件进行试验无法反映瞬时辐射输出扰动在电子组件系统中的传递影响。为此对由DC/DC、稳压器、单片机CPU,FPGA等组成的控制器组件在2.8105~1.7107 Gy(Si)/s的范围内开展了瞬时辐射效应的试验研究。试验中对组件功能和器件参数的测试结果表明,在较小的瞬时剂量率下,部分器件输出受到影响,但组件功能正常;较大剂量率时,所有器件均受影响,且组件功能中断。同时观测到瞬时辐射形成的扰动信号在器件间传输现象。     

以太网芯片重离子单粒子效应试验

为评估和研究工业以太网芯片KSZ8851-16MLLJ在空间环境中的适应性,利用重离子源对芯片进行了单粒子试验。根据以太网芯片的结构和功能制订了单粒子实验方案,得出了实验数据,并对实验数据进行了整理和研究。实验和研究表明：工业以太网芯片KSZ8851-16MLLJ具有一定的抗单粒子辐射能力;在不同网络传输条件下,发生单粒子翻转的机率也不相同;在持续的单粒子辐射下,以太网芯片会发生电流阶跃,第二次电流阶跃时产生单粒子锁定,在工程应用中可以利用电流阶跃监测芯片的辐射水平。     

有限变形下单晶变温本构模型

论文构造了单晶热弹粘塑性的本构模型,模拟材料在不同温度下的力学行为.该模型以晶体热运动学作为分析变形的基础,即考虑温度变化情况下总体变形梯度的乘式分解,建立温度影响下的以弹性变形梯度为基本变量的控制方程来描述单晶材料的变形,算法采用隐式积分方法来求解控制方程以保证计算的稳定性.模型能反映单晶材料变形过程中温度对应力-应变响应的影响.     

基于波动法的框式结构功率流主动控制方法与实验研究

为了研究扰动影响下框式结构中的功率流传播与主动控制,首先采用波动方法建立了框式结构的动力学模型并获得了其在扰动下的精确动力学响应,进一步得到结构中传播的功率流,并以此为目标函数,优化得到了最优控制力的大小与相位,然后对结构施加最优控制力,实现了框式结构的功率流主动控制.对框式结构功率流主动控制方法进行了数值计算分析与实验验证.结果表明:采用波动方法计算框式结构的动力学响应精确可靠;通过数值计算与实验研究可知功率流主动控制可以明显降低框式结构全频域内的抖动,验证了基于波动方法功率流主动控制的正确性与有效性.     

高瓦斯矿发火区封闭时对瓦斯爆炸界限因素的影响

针对高瓦斯矿发火区封闭时常发生瓦斯爆炸事故,对影响瓦斯爆炸界限的因素进行实验,探索温度、压力、可燃气体(CO)、惰性气体(N2和CO2)等条件对瓦斯爆炸界限的影响规律。得出常温常压下瓦斯爆炸的体积分数下限为5%,瓦斯爆炸上限为13.5%,以及CO2的惰化效果比N2更好的结论。根据实验数据绘制混合气体的爆炸三角形,并进行新的惰化分区划分,不仅为火区封闭时防治瓦斯爆炸提供新的技术途径,而且能计算出使火区惰化时,所需惰性气体量,可对这些因素进行合理控制,有效地降低瓦斯爆炸危险性。     

太阳光泵浦激光器侧面泵浦效率的提高

太阳光泵浦激光器直接利用太阳光作为泵浦源,实现了太阳光能量到激光能量的直接转化。设计了分腔水冷型金属锥形泵浦腔,以直径8 mm,长115 mm的Nd:YAG晶体棒作为激光工作物质,用有效面积1.03 m2菲涅尔透镜会聚太阳光,实验获得了23.7 W的稳定激光输出,斜效率为7.87%。通过对比实验,改进后的分腔水冷型太阳光泵浦激光器较原有锥形腔激光器有55.92%的激光输出功率提升。分别从侧面泵浦光在冷却水中的吸收损耗以及其耦合效率等方面对新型腔体结构进行了分析,证实了分腔水冷型腔体结构对侧面泵浦效率的提高,并提出了陶瓷漫反射材质的分腔水冷型激光腔的设计。