不同掺杂的钇系-123薄膜磁通特性

我们在磁场中分别测量了最佳掺杂的YBa2Cu3O7-δ、钙0．2掺杂的Y1-xCaxBa2Cu3O7-δ及钙0．5掺杂的Pr1-xCaxBa2Cu3O7-δ薄膜的电阻温度关系．利用最近Zhang et al.[Phys．Rev．B71（2005），052502]提出的热激活能的分析方法对薄膜的磁通特性进行了分析、比较与讨论．     

撞击诱导硝基甲烷分子第一步分解反应的动力学计算

本文基于分子温度与压强的关系,计算在不同压强下基态和最低三态硝基甲烷的分子温度,对应计算其沿着CN键裂解反应的热化学和动力学参数.发现基态的硝基甲烷沿着CN键的分解反应是吸热反应,不具自发性,反应转换温度为1550.2 K,平衡常数在80-1202 K温度范围内很低.最低三态的硝基甲烷沿着CN键的裂解是放热反应,反应的Gibbs自由能在80-2558.5 K范围内为负,有好的自发性,且反应较为彻底.298.15-2558.5 K温度范围内反应活化能随着温度的升高而改变,使反应速率随着温度的升高而急剧增大.对应硝基甲烷爆压15 GPa,其分子温度为4617.6 K,该温度下三态分子分解反应的反应速率为1.088×10~8cm~3·mol~(-1)·s~(-1).推算硝基甲烷沿着CN键分解反应混合物的终态温度,当混合物为硝基、甲基和基态的硝基甲烷分子时,反应的终温为1611.37 K,等效能为1676.47 cm~(-1).当混合物为硝基、甲基、基态和最低三态的硝基甲烷分子时,反应的终温为1184.79 K,等效能为1232.65 cm~(-1).两种情况下终态等效能都足以维持硝基甲烷分子沿C-N键裂解反应的发生.这个能量也足以导致混合物中的NO_2分解为NO和O,这与实验检测的结论相一致.     

Concurrent correction of geometric distortion and motion using the map-slice-to-volume method in echo-planar imaging

The accuracy of measuring voxel intensity changes between stimulus and rest images in fMRI echo-planar imaging (EPI) data is severely degraded in the presence of head motion. In addition, EPI is sensitive to susceptibility-induced geometric distortions. Head motion causes image shifts and associated field map changes that induce different geometric distortion at different time points. Conventionally, geometric distortion is "corrected" with a static field map independently of image registration. That approach ignores all field map changes induced by head motion. This work evaluates the improved motion correction capability of mapping slice to volume with concurrent iterative field corrected reconstruction using updated field maps derived from an initial static field map that has been spatially transformed and resampled. It accounts for motion-induced field map changes for translational and in-plane rotation motion. The results from simulated EPI time series data, in which motion, image intensity and activation ground truths are available, show improved accuracy in image registration, field corrected image reconstruction and activation detection.     

Dielectric relaxation of chlorinated polyvinyl chloride (CPVC) stabilized with cyanoguanidine

Dielectric spectra of CPVC stabilized with cyanoguanidine were studied in the temperature range 300–450 K and frequency range 10 kHz to 1 MHz. In these conditions, only one clear dielectric relaxation band (α-type) associated with dipolar polarization was observed. Dielectric losses was found to directly proportional to the number of dipoles (N) which reflects the orientational distribution of polymer chains in the amorphous region, at which dielectric losses concerned. Calculations of the dielectric modulus M′(T) at low temperature indicate that there is a role of the electrode polarization in the relaxation process. Dielectric loss data were used to calculate the activation enthalpy by two different methods, the obtained value was 450 kJ/mol.     

NO dissociation pathways on Rh(1 0 0), (1 1 0), and (1 1 1) surfaces: A comparative density functional theory study

The chemisorption and dissociation pathways of NO on the Rh(1 0 0), (1 1 0), and (1 1 1) surfaces are studied by the plane-wave density functional theory (DFT) with CASTEP program. In addition, the electronic and geometrical effects that affect the NO dissociation reactions have been investigated in detail. The calculation results are presented as following: The effective activation energies of the best NO dissociation pathways on the Rh(1 0 0), the Rh(1 1 0), and the Rh(1 1 1) are 0.63, 0.66 and 1.77 eV, respectively. The activity of the Rh planes for NO dissociation is in the order of Rh(1 0 0) ≈ Rh(1 1 0) > Rh(1 1 1). The low dissociation barrier for Rh(1 0 0) and Rh(1 1 0) is associated with the existence of a lying-down NO structure which acts as a precursor for dissociation. By Mulliken population analysis and structure analysis, both electronic and geometrical effects are found to affect the NO dissociation reactions, but the geometrical effect exceed the electronic. The energy decomposition scheme has been used to provide further insight into the NO dissociation reactions. Based on the calculations, the interaction energy between N and O in the transition state on the Rh(1 1 1) is found much larger than that on the Rh(1 0 0) and the Rh(1 1 0). The major differences of should originate from the variation of the bonding competition effect.     

磷钼杂多酸-结晶紫分光光度法测定高纯氯化铯中微量磷

以 4 -叔丁基 - 2 (α-甲苄基 )苯酚 (t- BAMBP)萃取分离基体铯 ,磷钼杂多酸与结晶紫染料生成离子缔合物 ,在聚乙烯醇存在下 ,在水溶液中显色。在波长 5 45 nm处 ,其摩尔吸光系数可达 2 .0 1× 10 5L· mol-1·cm-1。方法的回收率为 97%— 10 1% ,相对标准偏差为 0 .8%— 2 .7%。     

反射式流通池顺序注射光度检测系统的研制

提出一种反射式流通池用于过程分析光度检测系统 ,可以明显地抑制折光指数效应产生的干扰。以发光二极管为光源 ,采用多股光纤分别与流通池 ,光源 ,检测器耦合 ,实现对透射后反射回的光谱检测。以Cl- Hg(SCN) 2 Fe(Ⅲ )反应显色体系为模型对系统的实验参数进行了优化。讨论了试剂注入量、进样量、载流流速、试剂注入次序等参数对检测结果的影响。方法的线性范围为 0～ 10 0mg·L-1(相关系数r =0 998) ;分析精度 (RSD ,n =11)为 1 5 % ;检出限为 1 2mg·L-1;分析速度为 30个样·h-1;对自来水和海水的回收率分别为 95 %和 10 4 %。     

Lithium ion conduction in lithium borohydrides under high pressure

The high-pressure effects on lithium ion conduction in LiBH₄ have been investigated. The high-pressure ac-impedance measurement was performed by using a cubic anvil-type apparatus under 2 to 6 GPa at various temperatures. For the hexagonal structure (Phase I), the activation volume for lithium ion conduction was found to be around 3 cm³/mol (≈ 0.09V_m, where V_m means its molar volume). This activation volume is almost comparable to that for other fast-ion conductors such as NASICONs. The lithium ion conductivities of orthorhombic (Phase III) and cubic (Phase V) structures were also measured. Regardless of crystal structures, the activation energies of Phases I, III, and V were almost identical at around 50 to 60 kJ/mol; on the other hand, the pre-exponential terms of Phases III and V were smaller than those of Phase I by one to two orders of magnitude.     

Measurements of neutron radiation and induced radioactivity for the new medical linear accelerator,the Varian TrueBeam

Contemporary linear accelerators applied in radiotherapy generate X-ray and electron beams with energies up to 20 MeV. Such high-energy therapeutic beams induce undesirable photonuclear (γ,n) and electronuclear (e,e'n) reactions in which neutrons and radioisotopes are produced. The originated neutron can also induce reactions such as simple capture, (n,γ), reactions that produce radioisotopes. In this work measurements of the non-therapeutic neutrons and the induced gamma radiation were carried out in the vicinity of a new medical accelerator, namely the Varian TrueBeam. The TrueBeam is a new generation Varian medical linac making it possible to generate the X-ray beams with a dose rate higher than in the case of the previous models by Varian. This work was performed for the X-ray beams with nominal potentials of 10 MV (flattening filter free), 15 MV and 20 MV, and for a 22 MeV electron beam. The neutron measurements were performed by means of a helium chamber and the induced activity method. The identification of radioisotopes produced during emission of the therapeutic beams was based on measurements of the energy spectra of gammas emitted in decays of the produced nuclei. The gamma energy spectra were measured with the use of the high-purity germanium detector. The correlation between the neutron field and the mode and nominal potential was observed. The strongest neutron fluence of 3.1 × 10⁶ cm⁻² Gy⁻¹ and 2.0 × 10⁶ cm⁻² Gy⁻¹ for the thermal and resonance energies, respectively, was measured during emission of the 20 MV X-ray beam. The thermal and resonance neutron fluence measured for the 15 MV X-rays was somewhat less, at 1.1 × 10⁶ cm⁻² Gy⁻¹ for thermal neutrons and 6.7 × 10⁵ cm⁻² Gy⁻¹ for resonance neutrons. The thermal and resonance neutron fluences were smallest for the 10 MV FFF beam and the 22 MeV electron beam and were around two orders of magnitude smaller than those of the 20 MV X-ray beam. This work has shown that the neutron reactions are dominant because of relatively high cross sections for many elements used in the accelerator construction. The detailed analysis of the measured spectra made it possible to identify 11 radioisotopes induced during TrueBeam delivery. In this work the following radioisotopes were identified: ⁵⁶Mn, ¹²²Sb, ¹²⁴Sb, ¹³¹Ba, ⁸²Br, ⁵⁷Ni, ⁵⁷Co, ⁵¹Cr, ¹⁸⁷W, ²⁴Na and ³⁸Cl.