Structural analysis and crystal-field calculations of Nd^3＋ in Gdx Lu1-x TaO4（x = 0.85） polycrytalline

The crystal structural parameters of Nd 3+-doped rare earth orthotantalate Gd x Lu 1 x TaO 4(x = 0.85) are determined by applying the Rietveld refinement to its X-ray diffraction,and its emission and excitation spectra at 77 K are analysed.The relativistic model of ab initio self-consistent DV-Xα method,which is applied to the cluster NdO 8 in Gd x Lu 1 x TaO 4,and the effective Hamiltonian model are used to investigate its spin-orbit and crystal-field parameters.The free-ions and crystal-field parameters are fitted to the experimental energy levels at 77 K with a root-mean-square deviation of 14.92 cm 1.According to the crystal-field calculations,96 levels of Nd 3+ are assigned.Finally,the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd 3+:YAlO 3.The results indicate that the free-ion parameters are similar to those of the Nd3+ in Gdx Lu1-x TaO4 and YAlO 3 hosts,and the crystal-field interaction of Nd3+ in Gdx Lu1-x TaO4 is stronger than that in YAlO 3.     

纪念劳厄发现晶体X射线衍射100周年

文章从劳厄发现晶体X射线衍射的前因后果谈起.劳厄的这个发现产生了两个新学科,即X射线晶体学和X射线光谱学.文章中还回顾了布拉格父子对开展这两个新学科研究所作出的卓越贡献,并略述了X射线晶体学所产生的深远影响.     

高电荷态Ar~(17+)离子在表面以下过程中发射X射线分支比及各分支能量的研究

对低速高电荷态Ar17+离子在与不同金属靶相互作用过程中放出的Ar离子K壳X射线的Kβ/Kα分支比及各分支K线平均能量进行了理论研究.在文献[28,29]的基础上,通过对实验数据的分析,得到了0.3—0.8玻尔速度之间的Ar17+离子与Be,Al,Ni,Mo,Au等金属相互作用过程中入射离子发出的X射线分支比及各分支平均能量.理论上,基于导带电子俘获模型和级联跃迁模型,建立耦合方程组,以解释实验主要结果,理论结果与实验符合较好.在此基础上讨论了低速高电荷态Ar17+离子在金属表面以下的空心原子形成及退激发过程中发射K壳X射线的物理图像.     

快速皂化-气相色谱-串联质谱法同时测定乳粉中胆固醇和维生素E 4种异构体

胆固醇和生育酚都是人体所必需的重要营养元素,是乳粉中的重要质量指标。现行国家食品安全标准对胆固醇和维生素E 4种异构体（α -生育酚、β -生育酚、γ -生育酚和δ -生育酚）的检测前处理复杂繁琐、耗时长,且不能同时测定,因此,开发简单、快速且可同时测定胆固醇和4种生育酚的检测方法具有重要的现实意义。该研究采用气相色谱-串联质谱（GC-MS/MS）建立了乳粉中胆固醇和4种生育酚的定性定量测定方法。样品经脂肪酶酶解,采用快速的碳酸钾-乙醇皂化法,同时对酶解时间、皂化温度、萃取溶剂的种类、萃取溶剂的体积、萃取时间等前处理进行优化,从而确定出最优的前处理方法。结果表明,样品在37℃下酶解4 h,然后室温（25℃）下振荡10 min皂化,最后使用5 mL正己烷萃取10 min,4000 r/min离心6 min,取上层正己烷过膜,经TG-5MS Sil色谱柱分离,GC-MS/MS多反应监测离子模式扫描分析,同时获得定性和定量结果。实验结果表明,胆固醇在0.5~50.0 mg/L、4种生育酚在0.25~25.0 mg/L范围内具有较好的线性关系,相关系数（r ² ）大于0.99,加标回收率为76.6%~93.1%,相对标准偏差为0.9%~3.3%,胆固醇定量限为10.0 μg/100 g,4种生育酚的定量限均为5.0 μg/100 g。随机抽取市面上出售的20种婴幼儿配方奶粉及4种低脂乳粉,对其胆固醇和4种生育酚含量进行了分析测试,结果显示,婴幼儿配方乳粉中胆固醇、4种生育酚的含量高于低脂乳粉,其中婴幼儿乳粉的4种生育酚中α -生育酚和β -生育酚含量较高。该方法简便、快速、灵敏、准确,可满足乳粉中胆固醇和4种生育酚生育酚的检测要求,为乳粉品质的快速检测奠定了理论基础。     

二己二硫醚多层膜局域结构的近边x射线吸收精细结构研究

利用多重散射团簇(MSC)方法计算了二己二硫醚［CH₃(CH₂)₅S］₂单分子和多分子硫原子近边x射线吸收精细结构(NEXAFS)谱，给出了二己二硫醚多层膜的局域结构模型. MSC研究显示多层膜中二己二硫醚分子作平行有序排列，彼此相距0.47nm，其横截面呈规则的正方形. 利用离散变分Xα方法计算了二己二硫醚单分子和多分子的电子结构，验证了MSC的计算结果；并阐明了NEXAFS谱中各峰的物理起源. 对多层膜中分子之间的相互作用进行了讨论，发现多层膜的局域结构有分子自组装的特性. 关键词： 3(CH₂)₅S］₂多层膜')" href="#">二己二硫醚［CH₃(CH₂)₅S］₂多层膜 近边x射线吸收精细结构 多重散射团簇方法 离散变分Xα方法     

某类解析函数的Fekete-Szeg不等式

本文研究了函数类k-SPα的Fekete-Szeg不等式问题.利用分类讨论的方法,获得了|a3-μa22|准确估计,推广了一些作者的相关结果.     

μ-Pseudo Almost Periodic and Automorphic Solutions in the α-Norm for Some Partial Functional Differential Equations

In this work, we prove the existence and uniqueness of μ-pseudo almost periodic and μ-pseudo almost automorphic solutions in the α ?norm for some classes of partial differential equations in Banach spaces. For illustration, we study some models arising in physical systems.     

Systematic study of the α decay preformation factors of the nuclei around the Z = 82, N = 126 shell closures within the generalized liquid drop model

In this study, we systematically investigate the \begin{document}$\alpha$\end{document} decay preformation factors, \begin{document}$P_{\alpha}$\end{document} , and the \begin{document}$\alpha$\end{document} decay half-lives of 152 nuclei around Z = 82, N = 126 closed shells based on the generalized liquid drop model (GLDM) with \begin{document}$P_{\alpha}$\end{document} being extracted from the ratio of the calculated \begin{document}$\alpha$\end{document} decay half-life to the experimental one. The results show that there is a remarkable linear relationship between \begin{document}$P_{\alpha}$\end{document} and the product of valance protons (holes) \begin{document}$N_p$\end{document} and valance neutrons (holes) \begin{document}$N_n$\end{document} . At the same time, we extract the \begin{document}$\alpha$\end{document} decay preformation factor values of the even–even nuclei around the Z = 82, N = 126 closed shells from the study of Sun \begin{document}${et\ al.}$\end{document} [J. Phys. G: Nucl. Part. Phys., 45: 075106 (2018)], in which the \begin{document}$\alpha$\end{document} decay was calculated by two different microscopic formulas. We find that the \begin{document}$\alpha$\end{document} decay preformation factors are also related to \begin{document}$N_pN_n$\end{document} . Combining with our previous studies [Sun \begin{document}${et\ al.}$\end{document} , Phys. Rev. C, 94: 024338 (2016); Deng \begin{document}${et\ al.}$\end{document} , ibid. 96: 024318 (2017); Deng \begin{document}${et\ al.}$\end{document} , ibid. 97: 044322 (2018)] and that of Seif \begin{document}${et\ al.,}$\end{document} [Phys. Rev. C, 84: 064608 (2011)], we suspect that this phenomenon of linear relationship for the nuclei around the above closed shells is model-independent. This may be caused by the effect of the valence protons (holes) and valence neutrons (holes) around the shell closures. Finally, using the formula obtained by fitting the \begin{document}$\alpha$\end{document} decay preformation factor data calculated by the GLDM, we calculate the \begin{document}$\alpha$\end{document} decay half-lives of these nuclei. The calculated results agree with the experimental data well.     

用于描述W-Cu粉末混合物冲击压缩行为的p-α与p-λ模型适用性

研究了3种p-α模型和p-λ模型在预测非均质W-Cu混合粉末冲击压实响应的适用性。利用Mie-Grüneisen方法和Barry等压混合法,基于单质W、Cu粉末的Hugoniot关系预测了同孔隙度的W-Cu混合粉末的Hugoniot线,在高压段与实验结果符合较好,但在低压段与实验偏差较大。分别应用3种p-α模型和p-λ模型对实验结果进行拟合,发现除p-α PL模型外,其他模型均较好地描述W-Cu混合粉末的冲击压缩响应,受经验参数选择的影响,所有模型的压溃强度和压缩路径各不相同,预测功能较差。     

The influence of ultrasonic irradiation on catalytic performance of ZnO nanoparticles toward the synthesis of chiral 1-substituted-1H-tetrazolederivatives from α-amino acid ethyl esters

In this work, a simple and greener protocol for the synthesis of 1-substituted 1H-tetrazole derived from α-amino acid ethyl esters was demonstrated in the presence of zinc oxide nanoparticles (ZnO NPs) under conventional conditions, with heating (at 60 and 80°C and under reflux) compared with ultrasonic. The effect of solvent was investigated to reveal that the solvent system CH₃CN/H₂O was optimum to obtain 1-substituted 1H-tetrazole in high yield. In addition, the effect of irradiation power was studied, which showed that the yield of the reaction was improved at 200 W and the reaction time was shortened to be 30 min. Also, an improvement in the rate of the reaction and the yield of the products was observed when reactions were carried out under sonication conditions in the presence of ZnO NPs compared with conventional methods using various zinc salts as catalysts. The yields of tetrazole compounds 2a–i under sonication were determined (88–96%). Furthermore, the investigated heterogeneous catalytic system was recycled and reused for five runs with significant production of tetrazole 2a as a model target compound in excellent yields at each reaction cycle. In general, the investigated synthetic strategy for the heterocyclization of α-amino acid ethyl ester derivatives to 1-substituted 1H-tetrazoles was in agreement with the green chemistry point of view.