室温下压致铁钴镍合金的bcc→hcp相变

 本文采用高压X光衍射方法在金刚石对顶压砧中在位地（in situ）研究了Fe₆₈Co₂₄Ni₈（wt%）合金在室温下的压致bcc→hcp结构相变和直到40.5 GPa的等温压缩行为。实验结果表明该合金在常压下为bcc结构，晶格常数a₀=(0.287 0±0.000 1) nm，体积V₀=(7.119±0.007) cm³/mol，密度ρ₀=(7.981±0.008) g/cm³；在20.9 GPa附近出现bcc→hcp结构相变，两相共存压力区约10 GPa，在此区域内有晶面间距d(002)_hcp=d(110)_bcc，且原子平面(002)_hcp//(110)_bcc，hcp相比bcc相体积减小(0.33±0.02) cm³/mol；高压相hcp结构的晶格参数比值c/a=1.608±0.004；相变后原子配位数的增加使得hcp相(002)平面内及(002)平面间的最近邻原子间距比bcc相最近邻原子间距分别增大约1.6%和0.5%；用Murnaghan状态方程对实验数据进行最小二乘法拟合，得到bcc相B₀=(130±13) GPa，B₀'=12.6±0.5；hcp相V₀=(6.62±0.04) cm³/mol，B₀=(243±21) GPa，B₀'=6.8±0.3；对于该合金的bcc→fcp相变时的结构转变机制做了详细的讨论。     

200兆赫高功率CW锁模YAG激光泵浦源研究

本文报导一台200MHz 12W平均功率的CW锁模Nd:YAG激光泵浦源,输出脉宽约100ps,能够可靠地长期稳定运转。     

垂直各向异性Ho3Fe5O12薄膜的外延生长与其异质结构的自旋输运

垂直磁各向异性稀土-铁-石榴石纳米薄膜在自旋电子学中具有重要应用前景.本文使用溅射方法在(111)取向掺杂钇钪的钆镓石榴石(Gd_0.63Y_2.37Sc₂Ga₃O₁₂,GYSGG)单晶衬底上外延生长了2—100 nm厚的钬铁石榴石(Ho₃Fe₅O₁₂,HoIG)薄膜,并进一步在HoIG上沉积了3 nm Pt薄膜.测量了室温下HoIG的磁各向异性和HoIG/Pt异质结构的自旋相关输运性质.结果显示,厚度薄至2 nm的HoIG薄膜(小于2个单胞层)在室温仍具有铁磁性,且由于外延应变,2—60 nm厚HoIG薄膜都具有很强的垂直磁各向异性,有效垂直各向异性场最大达350 mT;异质结构样品表现出非常可观的反常霍尔效应和“自旋霍尔/各向异性”磁电阻效应,前者在HoIG厚度小于4 nm时开始缓慢下降,而后者当HoIG厚度小于7 nm时急剧减小,说明相较于反常霍尔效应,磁电阻效应对HoIG的体磁性相对更加敏感;此外,自旋相关热电压随HoIG厚度减薄在整个厚度范围以指数方式下降,说明遵从热激化磁振子运动规律的自旋塞贝克效应是其主要贡献者.本文结果表明HoIG纳米薄膜具有可调控的垂直磁各向异性,厚度大于4 nm的HoIG/Pt异质结构具有高效的自旋界面交换作用,是自旋电子学应用发展的一个重要候选材料.     

Dihydrogen bond in C2H4− n Cl n ··· NaH (n = 0, 1, 2, 3) complexes: ab initio,AIM and NBO studies

The dihydrogen-bonded complexes of ethylene and its chlorine derivatives with sodium hydride have been systematically investigated at the MP2/6-311++G(d,p) level. The studied complexes are divided into three groups (including Linear, Five- and Six-membered cyclic structures) based on the optimized structures. The structural, energetic and topological parameters are presented and analysed in terms of their possible correlation with the interaction energies and the intermolecular H?···?H distances. The nature of the electrostatic interaction in this type of dihydrogen bond has also been unveiled by means of atoms in molecules (AIM) and natural bond orbital (NBO) analysis. The effect of ring structure on the dihydrogen bonding systems has been considered by comparing with the corresponding linear structure. NBO analysis suggests that the electron density transfer (EDT) in cyclic structures have dual-channel character.     

Influence on drug efficacy of the binding behavior of pioglitazone hydrochloride with tryptophan residues,and tyrosine residues in bovine transferrin

Abstract

The interaction of pioglitazone hydrochloride bound to tryptophan residues and tyrosine residues in bovine transferrin was investigated using synchronous fluorescence spectroscopy at various temperatures (298, 310, and 318?K). From binding constants and thermodynamic parameters, it was shown that 1:1 stable compound was formed by the electrostatic force interaction of pioglitazone hydrochloride bound to tryptophan residues and tyrosine residues in bovine transferrin. The extent of binding between pioglitazone hydrochloride and tryptophan residues in bovine transferrin was more than that between pioglitazone hydrochloride and tyrosine residues in bovine transferrin. At 310?K, the fluorescence quenching ratio number of tyrosine residues and tryptophan residues in bovine transferrin were 47.52% and 54.19%, respectively, which indicated that the fluorescence contribution of tryptophan residues was greater. At 310?K, pioglitazone hydrochloride-tyrosine residues(in bovine transferrin) binding rate were 55.60–73.82%, and the combined model was W?=??0.0315R²???0.1520R?+?0.7385. The value of Hill’s coefficients was greater than 1, which suggested that there was a positive cooperativity between pioglitazone hydrochloride and subsequent ligands. The results of molecular docking were consistent with that of experimental calculation.     

Image denoising using trivariate prior model in nonsubsampled dual-tree complex contourlet transform domain and non-local means filter in spatial domain

Image denoising is always the basic problem of image processing, and the main challenge is how to effectively remove the noise and preserve the detailed information. This paper presents a new image denoising algorithm based on the combination of trivariate prior model in nonsubsampled dual-tree complex contourlet transformlet transform (NSDTCT) domain and non-local means filter (NLMF) in spatial domain. Firstly, NSDTCT is constructed by combining the dual-tree complex wavelet transform (DTCWT) and nonsubsampled directional filter banks (NSDFB). The noisy image is decomposed by using NSDTCT. Secondly, based on the correlation between the interscale and intrascale dependencies of NSDTCT coefficients, the distribution of the high frequency coefficients is modeled with the trivariate non-Gaussian distribution model. A nonlinear trivariate shrinkage function is derived in the framework of Bayesian theory, and then the denoised coefficients are obtained and inverse NSDTCT is performed to get the initial denoised image. Finally, NLMF is used to smooth the initial denoised image. Simulation experiment shows that our algorithm can obtain better performances than those outstanding denoising algorithms in terms of peak signal-to-noise ratio (PSNR), mean structural similarity (MSSIM) as well as visual quality.     

ZnO nanowire array ultraviolet photodetectors with self-powered properties

A ZnO nanowire (NW) array ultraviolet photodetector (PD) with Pt Schottky contacts has been fabricated on a glass substrate. Under UV light illumination, this PD showed a high photo-to-dark current ratio of 892 at 30 V bias. Interestingly, it was also found that this PD had a high sensitivity of 475 without external bias. This phenomenon could be explained by the asymmetric Schottky barrier height (SBH) at the two ends causing different separation efficiency of photogenerated electron–hole pairs, which resulted in the formation of photocurrent. It is anticipated to have potential applications in self-powered UV detection field.     

Ti0.33WO3电子结构和太阳辐射屏蔽性能第一性原理研究

节能减排已成为当今社会发展的主题,对节约能源、提高太阳能的高效综合利用的新型窗用透明隔热材料的理论设计和研究尤其重要.本文采用基于密度泛函理论的计算方法,研究了六方相三氧化钨Ti掺杂前、后的晶格参数、电子能带结构、形成能和光学性质.研究结果表明,Ti掺杂后晶格体积增大,系统能量降为负值,体系具有更好的稳定性;掺杂后电子能带结构发生很大的变化,但材料仍保持n型电导率;随之,其光学性质也发生改变,掺杂前h-WO3无近红外吸收性能,掺杂后的Ti0.33WO3具有很强的近红外吸收性能.在此基础上研究了Ti掺杂h-WO3前、后的太阳辐射屏蔽性能,掺杂前无太阳辐射屏蔽性能;掺杂后的Ti0.33WO3薄膜具有可见光高透明、近红外屏蔽的性能.计算结果为Ti掺杂h-WO3在窗用透明隔热材料方面的研究提供了理论依据.     

静止轨道高光谱海洋水色仪光学系统设计

设计了由超大口径前置望远系统和超大视场光谱仪组成的超大口径高光谱海洋水色仪.前置望远系统采用同轴三反光学系统结构,口径为4 m,视场为0.64°,焦距为21.6 m,波段范围为400~1 000nm.超大视场光谱仪采用改进的Offner结构,视场为240mm,光谱分辨率为10nm.探测器像元尺寸为15μm×15μm,4片探测器交错拼接实现400km幅宽.超大视场光谱仪在400~1 000nm的宽波段内,点列图半径的均方根值均小于3.9μm,静止轨道高光谱海洋水色仪全系统不同波长的MTF在33.3lp/mm处大于0.52,各项指标均满足应用要求.     

Efficient Quantum Dot Light-Emitting Diodes Based on Well-Type Thick-Shell CdxZn1−xS/CdSe/CdyZn1−yS Quantum Dots

Device grade quantum dots (QDs) require QDs ensembles to retain their original superior optical properties as in solution. QDs with thick shells are proven effective in suppressing the inter-dot interaction and preserving the emission properties for QDs solids. However, lattice strain–induced defects may form as the shell grows thicker, resulting in a notable photoluminescence quenching. Herein, a well-type Cd_xZn_1−xS/CdSe/Cd_yZn_1−yS QDs is proposed, where ternary alloys CdZnS are adopted to match the lattice parameter of intermediate CdSe by separately adjusting the x and y parameters. The resultant thick-shell Cd_0.5Zn_0.5S/CdSe/Cd_0.73Zn_0.27S QDs reveal nonblinking properties with a high PL QY of 99% in solution and 87% in film. The optimized quantum dot light-emitting diodes (QLEDs) exhibit a luminance of 31547.5 cd m⁻² at the external quantum efficiency maximum of 21.2% under a bias of 4.0 V. The shell thickness shows great impact on the degradation of the devices. The T₅₀ lifetime of the QLEDs with 11.2 nm QDs reaches 251 493 h, which is much higher than that of 6.5 and 8.4 nm QDs counterparts. The performances of the well-type thick-shell QLEDs are comparable to state-of-the-art devices, suggesting that this type of QDs is a promising candidate for efficient optoelectronic devices.