碳化硅中点缺陷对热传导性能影响的分子动力学研究

碳化硅(SiC)由于性能优异,已广泛应用于核技术领域.在辐照环境下,载能入射粒子可使材料中的原子偏离晶体格点位置,进而产生过饱和的空位、间隙原子、错位原子等点缺陷,这些缺陷将改变材料的热物性能,劣化材料的服役性能.因此,本文利用平衡分子动力学方法(Green-Kubo方法)采用Tersoff型势函数研究了点缺陷对立方碳化硅(β-SiC或3C-SiC)热传导性能的影响规律.研究过程中考虑的点缺陷包括:Si间隙原子(Si_Ⅰ)、Si空位(Si_Ⅴ)、Si错位原子(Si_C)、C间隙原子(C_Ⅰ)、C空位(C_Ⅴ)和C错位原子(C_Si).研究结果表明,热导率(λ)随点缺陷浓度(c)的增加而减小.在研究的点缺陷浓度范围(点缺陷与格点的比例范围为0.2%—1.6%),额外热阻率(Δ_R-R_defect-R_perfect,R=1/λ,R_defect为含缺陷材料的热阻率,R_perfec...     

Magnetic polaron-related optical properties in Ni(Ⅱ)-doped Cd S nanobelts: Implication for spin nanophotonic devices

Emissions by magnetic polarons and spin-coupled d-d transitions in diluted magnetic semiconductors(DMSs)have become a popular research field due to their unusual optical behaviors.In this work,high-quality NiI₂(Ⅱ)-doped CdS nanobelts are synthesized via chemical vapor deposition(CVD),and then characterized by scanning electron microscopy(SEM),x-ray diffraction,x-ray photoelectron spectroscopy(XPS),and Raman scattering.At low temperatures,the photoluminescence(PL)spectra of the Ni-doped nanobelts demonstrate three peaks near the band edge:the free exciton(FX)peak,the exciton magnetic polaron(EMP)peak out of ferromagnetically coupled spins coupled with FXs,and a small higher-energy peak from the interaction of antiferromagnetic coupled Ni pairs and FXs,called antiferromagnetic magnetic polarons(AMPs).With a higher Ni doping concentration,in addition to the d-d transitions of single Ni ions at 620 nm and 760 nm,two other PL peaks appear at 530 nm and 685 nm,attributed to another EMP emission and the d-d transitions of the antiferromagnetic coupled Ni²⁺-Ni²⁺pair,respectively.Furthermore,single-mode lasing at the first EMP is excited by a femtosecond laser pulse,proving a coherent bosonic lasing of the EMP condensate out of complicated states.These results show that the coupled spins play an important role in forming magnetic polaron and implementing related optical responses.     

Systematic study on α-decay half-lives of uranium isotopes with a screened electrostatic barrier

In the present work, we systematically study the α-decay half-lives of uranium (Z=92) isotopes based on the Gamow model with a screened electrostatic barrier. There are only two adjustable parameters in our model i.e. the parameter g and the screening parameter t in the Hulthen potential for considering the screened electrostatic effect of the Coulomb potential. The calculated results are in good agreement with experimental data, and the corresponding root-mean-square (rms) deviations of uranium isotopes with α transition orbital angular momentum l=0 and l=2 are 0.141 and 0.340, respectively. Moreover, we extend this model to predict α-decay half-lives of uranium isotopes whose α decay is energetically allowed or observed but not yet quantified in NUBASE2020. For comparison, the modified Hatsukawa formula (XLZ), the unified Royer formula (DZR), the universal decay law (UDL) and the Viola–Seaborg–Sobiczewski formula (VSS) are also used. The predictions are basically consistent with each other. Meanwhile, the results also indicate that N=126 shell closure is still robust at Z=92 and the spectroscopic factor \begin{document}$ S_{\alpha} $\end{document} is almost the same for uranium isotopes with the same l.     

Two-proton radioactivity within Coulomb and proximity potential model

Considering the preformation probability of the two emitted protons in the parent nucleus, we extend the Coulomb and proximity potential model (CPPM) to systematically study two-proton (2p) radioactivity half-lives of the nuclei close to proton drip line. The proximity potential chosen is Prox. 81 proposed by Blocki et al. in 1981. Furthermore, we apply this model to predict the half-lives of possible 2p radioactive candidates whose 2p radioactivity is energetically allowed or observed but not yet quantified in the evaluated nuclear properties table NUBASE2016. The predicted results are in good agreement with those from other theoretical models and empirical formulas, namely the effective liquid drop model (ELDM), generalized liquid drop model (GLDM), Gamow-like model, Sreeja formula and Liu formula.     

基于局部线性关系的扇束X射线荧光CT几何校正研究

基于X射线管的X射线荧光计算机断层扫描术(CT)受多种因素影响,成像质量不佳,几何参数误差是制约其高质量图像重建的重要因素之一.本文分析成像二维平面模体与探测器相对位置偏移对投影数据的影响,并基于原始投影数据和原始重建图像再投影数据的局部线性关系实现几何偏移参数校正;利用Geant4模拟存在偏移参数的扇束X射线荧光CT系统,使用模拟投影数据验证校正方法.研究结果表明:该方法能计算出相对精确的几何偏移量,有效消除几何参数误差对重建图像的影响,校正后的重建图像信息熵降低,平均梯度和标准差提高,图像质量提升.     

Calophyline A, a new rearranged monoterpenoid indole alkaloid from Winchia calophylla

Calophyline A (1), a novel unprecedented rearranged monoterpenoid indole alkaloid, along with a new natural product N-methyl aspidodasycarpine (2) and six known analogues, was isolated from the trunk barks of Winchia calophylla. The structure of compound 1 was elucidated on the basis of spectroscopic data and then confirmed by a single-crystal X-ray crystallographic analysis. A hypothetical biogenetic pathway for compound 1 was proposed. All isolated compounds were evaluated for their in vitro cytotoxicity against a small panel of human cancer cell lines.     

A Furantaxane with an Unusual 6/8/6/5 Ring System and Potent Tumor MDR Reversal Activity Obtained via Microbial Transformation

A furantaxane (4) with an unusual 6/8/6/5 ring system and two hydroxylated products (2, 3) were isolated following the biotransformation of a taxane (1) by Streptomyces griseus. The structures of the isolates were elucidated by spectroscopic analysis. The absolute configuration of 4, which exhibited potent reversal activity in the A549/taxol MDR tumor cell line, was unambiguously deduced by single-crystal X-ray diffraction.