基于多参考组态方法研究MgI分子激发态的光谱

利用Davidson修正的内收缩多参考组态相互作用（ic-MRCI+Q）方法,结合相关一致全电子基aug-cc-pwCV5Z+DK作为Mg原子和相对论有效芯赝势基（aug-cc-pV5Z-PP）为I原子的计算基组,优化计算MgI分子5个低激发束缚电子态的势能曲线和偶极矩,计算中同时引入核价电子相关和相对论效应修正势能曲线.利用LEVEL8.0程序拟合修正的势能曲线,得到光谱常数、振动能级和分子常数等光谱性质,结果与近来的部分理论计算或实验值吻合得较好,提供了更多激发态的光谱性质.为进一步研究MgI分子高激发态的光谱和跃迁特性提供理论支持.     

中红外光谱的HFC水分含量和粘度测量

针对水-乙二醇抗燃液压液（HFC）目前常用的水分含量和粘度测量方法存在操作复杂,耗时长,测量成本较高等问题,研究了将中红外光谱分析法应用于HFC水分含量和粘度测量。以85个实际在用油样为样本集,采用传统的电量法和毛细管法分别测量水分含量和运动粘度;使用衰减全反射液体池（ATR）采集各样本的中红外光谱并进行光谱校正、背景扣除、Savitzky-Golay(SG)平滑处理和基线校正等预处理。水分含量测量模型构建过程中,利用学生化残差-杠杆值法寻找强影响点,判定为异常样本并加以剔除;利用马氏距离SPXY法划分建模样本集和验证样本集。根据Beer-Lambert定律,水分含量和红外光谱吸光度成正比,采用线性方法来构建水分含量和吸光度红外光谱之间的关系模型。同时为提高模型的鲁棒性和泛化能力需要消除光谱中的无用信息、冗余信息和噪声,因此采用后向间隔偏最小二乘法（BiPLS）进行水分含量测量特征谱区优选,并建立线性校正分析模型。结果表明剩余3 526~3 354,1 790~1 618,3 005~2 660和1 096~924 cm-1波段时获得最小的交叉验证均方根误差（RMSECV）。特征波段优选结果可以理解为,根据3 526~3 354 cm-1波段预测HFC体系中所有OH的量,减去根据3 005~2 660和1 096~924 cm-1波段换算得到的乙二醇中的OH,进而计算得到水分含量,为进一步提高精度,将水中OH变角振动吸收峰对应的1 790~1 618 cm-1波段作为水分含量测量的辅助波段。利用独立验证样本进行模型检验,结果表明所建立的线性模型相关系数（r）为0.989 5,预测均方根误差（RMSEP）为0.405 2,满足HFC中水分含量测量精度需求。粘度测量模型构建过程中,利用马氏距离法寻找离群样本,判定为异常样本并加以剔除,利用马氏距离SPXY法进行建模样本集和验证样本集划分。粘度是一个与多重因素有复杂关系的理化指标,和红外光谱之间表现为非线性关系。基于主成分分析结合BP神经网络法（PCA-BPNN）构建非线性粘度校正分析模型,提取累积贡献率为95.12%的前10个主成分作为输入,测得的粘度值为输出,创建单隐层BP神经网络并进行训练,训练结果相关系数r为0.996 8。利用独立验证样本进行模型检验,结果表明所建立的非线性模型r为0.984 3,RMSEP为0.615 1,满足HFC粘度测量精度需求,且优于采用BiPLS线性模型获得的结果。确定了可用于HFC中水分含量测量的四个中红外波段,可为窄带红外光谱分析法或其他类似研究提供依据。研究结果表明中红外光谱分析法结合BiPLS和PCA-BPNN分析法可分别应用于HFC水分含量和粘度测量,精度符合监测需求,为HFC中分含量和粘度测量提供了一种新的测试方法,相比于传统测量方法具有快速、无损、低成本的特点。     

形变相关的壳修正对N=126处断前中子发射的同位素效应的影响

利用动力学加统计模型就形变相关的壳修正（DDSC）对中子126壳层附近209,213,217Fr断前中子发射的影响进行了研究。模拟结果表明,DDSC抬升了复合核的裂变位垒,且213Fr的升高约为209,217Fr的2倍,但却没有改变鞍点位置。尽管位垒升高延缓了系统的裂变,但其动力学过程受热力学驱动力（TDF）和核阻尼间竞争的主导,因此准确提取壳修正的作用还需考虑核耗散的形变关系。在裂变第一阶段,当核耗散取一体耗散（OBD）参数时,壳修正没有改变断前中子发射的同位素效应,然而当核耗散取标准参数设置（SPS）时,由于213Fr的TDF存在着异常增强,故该规律未能展现。在裂变第二阶段,位垒升高引起的断前中子发射的增强受到了TDF与核阻尼间竞争的反制,故断前中子发射的同位素效应仍未能显现。综合两阶段情况,DDSC对N=126处断前中子发射的同位素效应的影响受第一阶段规律的支配。The effect of deformation-dependent shell correction (DDSC) on the emission of prescission neutron (EPN) is studied within a dynamical and statistical model for three isotopes of 209,213,217Fr near the neutron 126 closure-shell. The results show that the fission barriers are enhanced with DDSC, and the increment of 213Fr is almost 2 times those of 209,217Fr, but those saddle points are not changed. Although the enhancement of fission barrier delays nuclear fission, the fission dynamics process is controlled by the competition between thermodynamic driving force (TDF) and nuclear damping, so the deformation-dependence of nuclear dissipation must be considered in order to extract the role of shell correction. The shell correction doesn't alter isotope effect of EPN with OBD nuclear dissipation in the first phase of nuclear fission, but the rule does not been exhibited because that there is abnormal enhancement of TDF using SPS nuclear dissipation. The increment of EPN caused by the rise of fission barrier is countered by the competition between TDF and nuclear damping in the second phase of nuclear fission, hence the effect of EPN cannot exhibit. The effect of DDSC on EPN near the neutron 126 closure-shell is dominated by the rules in the first phase of nuclear fission.     

利用18O(6Li,d)22Ne反应研究22Ne Eα=470 keV共振态的性质

慢速中子俘获过程（s过程）是合成比铁重元素的重要途径之一。22Ne（α,n）25Mg反应是大质量AGB星中s过程主要的中子源,其中的22Ne主要通过14N（α,γ）18F（β+）18O（α,γ）22Ne反应链合成。该反应链中关键反应18O（α,γ）22Ne在天体物理感兴趣能区的截面非常低,其天体反应率主要来自于22Ne α分离阈附近低能共振态的贡献,但目前相关能级的共振参数严重缺失。在HI-13串列加速器的Q3D磁谱仪上,通过测量18O（6Li,d）22Ne反应的角分布,利用DWBA分析确定了22Ne分离阈附近共振能级E_α=470 keV的自旋宇称为0+,为后续计算18O（α,γ）22Ne的天体反应率打下了基础。About a half of the abundances of elements heavier than iron comes from the so-called slowneutron capture process (s-process) in Asymptotic Giant Branch (AGB) stars, with the 22Ne(α, n)25Mg reaction as one of the main neutron sources. In the beginning phase of AGB thermal pulse, 22Ne is produced by the 14N(α, γ)18F(β+)18O(α, γ)22Ne reaction sequence, in which the 18O(α, γ)22Ne reaction plays a key role. While the reaction rate of the 18O(α, γ)22Ne is mainly affected by several resonant states lying closely to the α threshold in 22Ne, up to now, the relevant 22Ne parameters are fragmentary in the energy region corresponding to the typical temperatures of s-process. The direct measurement of the 18O(α, γ)22Ne reaction rate is extremely difficult due to the very low cross section. In this work, we investigated the 22Ne resonant states via the 18O(6Li, d)22Ne reaction at the Beijing HI-13 tandem accelerator of China Institute of Atomic Energy. Based on the DWBA analysis, preliminary results showed that the spin-parity of 22Ne E_α=470 keV resonant states was assigned as 0+, which would make contributions to subsequent calculation for the reaction rate of the 18O(α, γ)22Ne.     

Nd3+:GdScO3晶体场能级及拟合分析

采用提拉法生长出了钕掺杂钪酸钆晶体(Nd³⁺:GdScO₃),通过低温吸收光谱和室温发射光谱,对其中Nd³⁺的实验能级进行分析指认,确定了Nd³⁺:GdScO₃的66个实验Stark能级,拟合了其自由离子参数和晶体场参数,拟合均方根误差为13.17 cm^-1.与Nd³⁺:YAP和Nd³⁺:YAG相比, Nd³⁺:GdScO₃的晶场强度较弱.弱的晶体场强度有可能是Nd³⁺:GdScO₃晶体具有优良激光特性的原因之一.本文数据集可在https://www.doi.org/10.57760/sciencedb.15702中访问获取.     

机载扫描激光雷达的研制

研制了一台机载三维激光雷达系统,它采用Nd:YAG高重频激光器作为光源,检流计和摆镜构成扫描机构,C30659-1060-R8B雪崩激光二极管作为望远镜回波探测,si的PIN管作为发射光触发脉冲的探测,时间间隔测最卡用来探测距离.探测的距离精度35 cm,振镜摆动频率:50 Hz(光学角±10°),20 Hz(光学角±25°);振镜摆动角度:机械摆角±12.5°(实现光学摆角±25°);回波强度8 bit;高重复频率累加可以得到三维的距离和强度信息.     

Correlation between Imprint and Long-Time Polarization Reversal under Low Fields in Ferroelectric Thin Films

Time interval of slow polarization reversal in ferroelectric thin films is broadened over more than two decades to disobey the classical Kolmogorov-A vrami-Ishibashi （KAI） equation as the applied field approaches the coercive field of domain switching. The assumption of a Lorentzian distribution of logarithmic waiting times of reversed domain nucleation in this equation can resolve this dilemma. In our work, we explain this equation from the coercive-voltage distribution in thin films, and derive a similar function to describe slow polarization reversal from the consideration of a long-time imprint effect rather than the KAI model.     

Capillary Forces between Submillimeter Spheres and Flat Surfaces at Constant Liquid Volumes

We investigate the capillary forces between submillimeter spheres and flat surfaces at constant liquid volumes theoretically and experimentally. An iterative method is used to estimate the capillary force with contact angles as the boundary conditions and the constant volume as a constraint. The theoretical analysis shows that the maximum capillary force between them decreases with the increase of the liquid bridge volume at small contact angles. The experimental results show that the force is smaller than the theoretical values at the initial separation distances. It is also observed that the force first increases and then decreases with an increasing separation distance in some cases. These phenomena of capillary forces hysteresis are explained according to the wetting hysteresis.     

碳原子里德堡能级的计算

依据最弱受约束电子势模型及其微扰修正理论,计算了碳原子1s22s22pns 3P02,1,0 (n=3-50) 和1s22s22pnd 3F03,2 (n=3-50)里德堡系列能级和量子亏损。计算结果与已有的实验结果符合得很好。     

碱式聚苯胺的高激发态极化子

在改进的Ginder-Epstein模型下,得到了碱式聚苯胺的高激发态极化子。同普通极化子对比,它的晶格畸变更宽、更深,带隙中的两个缺陷能级更接近,其理论吸收谱只有一个低能峰（~1.2eV）并且强度提高~60％。取中等强度的电子—芳环扭角耦合,则高激发态极化子的激发能为17.75eV,较普通极化子的激发能提高1.22eV。这些差异为区分两类极化子提供了判据。