Improving the robustness of a partial least squares (PLS) model based on pure component selectivity analysis and range optimization: case study for the analysis of an etching solution containing hydrogen peroxide

Pure component selectivity analysis (PCSA) was successfully utilized to enhance the robustness of a partial least squares (PLS) model by examining the selectivity of a given component to other components. The samples used in this study were composed of NH₄OH, H₂O₂ and H₂O, a popular etchant solution in the electronic industry. Corresponding near-infrared (NIR) spectra (9000-7500 cm⁻¹) were used to build PLS models. The selective determination of H₂O₂ without influences from NH₄OH and H₂O was a key issue since its molecular structure is similar to that of H₂O and NH₄OH also has a hydroxyl functional group. The best spectral ranges for the determination of NH₄OH and H₂O₂ were found with the use of moving window PLS (MW-PLS) and corresponding selectivity was examined by pure component selectivity analysis. The PLS calibration for NH₄OH was free from interferences from the other components due to the presence of its unique NH absorption bands. Since the spectral variation from H₂O₂ was broadly overlapping and much less distinct than that from NH₄OH, the selectivity and prediction performance for the H₂O₂ calibration were sensitively varied depending on the spectral ranges and number of factors used. PCSA, based on the comparison between regression vectors from PLS and the net analyte signal (NAS), was an effective method to prevent over-fitting of the H₂O₂ calibration. A robust H₂O₂ calibration model with minimal interferences from other components was developed. PCSA should be included as a standard method in PLS calibrations where prediction error only is the usual measure of performance.     

温度和加热时间对大气环境中纯铁光谱发射率的影响

纯铁的光谱发射率受温度的影响很大,尤其是在大气环境中,由于温度升高加剧了表面的氧化,导致其光谱发射率发生了“无规律”变化。基于基尔霍夫定理,利用研制的反射法光谱发射率测量装置对纯铁1.55μm波长的光谱发射率进行了系统的研究,探讨了温度、加热时间等因素对纯铁光谱发射率的影响。研究结果表明：纯铁的光谱发射率随着温度的升高而增大,并且在一定的温度下出现了峰值和谷值,通过分析有氧化层时金属的发射率模型,解释了这种现象的发生。恒温长时间测量结果表明,在不同的温度下,加热时间对光谱发射率的影响不同。研究结果将进一步丰富纯铁的光谱发射率数据,并为其光谱发射率在大气环境中的应用提供了实验依据。     

Quantum state manipulation of single-Cesium-atom qubit in a micro-optical trap

Based on single Cesium atoims trapped in a 1064 nm microscopic optical trap we have exhibited a single qubit encoded in the Cesium ＂clock states＂. The single qubit initialization, detection and the fast state rotation with high efficiencies are demonstrated and this state manipulation is crucial for quantmn information processing. The ground ~ates Rabi flopping rate of 229.0 ± 0.6 kHz is realized hy a two-photon Raman process. A clock states dephasing time of 3.0 ± 0.7 ms is measured, while all irreversible homogeneous dephasing time of 124 ± 17 ms is achieved by using the spin-echo technique. This well-controlled single atom provides an ideal quantmn qubit and quantmn node for quantum information processing.     

Investigation of the correlation between internal gradients and dephasing effect in inhomogeneous field

Internal magnetic gradient plays a significant role in Nuclear Magnetic Resonance (NMR) measurements of fluid saturated porous media. The quantitative characterization and application of this physical phenomenon could effectively improve the accuracy of NMR measurements and interpretations. In this paper, by using the equivalent magnetic dipole method, the three-dimensional distribution of internal induced magnetic field and its gradients in the randomly packed water saturated glass beads are quantitatively characterized. By simulating the diffusive motion of water molecules in porous media with random walk method, the computational dephasing effects equation related to internal gradients is deduced. Thereafter, the echo amplitudes are obtained and the corresponding T ₂-G spectrum is also inverted. For the sake of verifying the simulation results, an experiment is carried out using the Halbach core analyzing system (B ₀=0.18 T, G=2.3 T/m) to detect the induced internal field and gradients. The simulation results indicate the equivalent internal gradient is a distribution of 0.12–0.3 T/m, which matched well with the experimental results.     

Anisotropic spin-dependent thermopower and current in ferromagnetic graphene junctions

We study the spin-dependent thermoelectric transport through two-dimensional normal/ferromagnetic/normal/ferromagnetic/normal graphene (NG/FG/NG/FG/NG) junctions. It is found that both charge and spin thermopowers depend on the FGʼs magnetization direction and exhibit an anisotropic behavior. Interestingly, the spin thermopower can be as large as the charge thermopower and even can exceed the latter in magnitude. Moreover, the pure spin thermopower and spin current emerge in this device. The results obtained here suggest a feasible way of enhancing thermospin effects and generating the pure spin current in two-dimensional graphene.     

沉淀分离ICP-AES法测定高纯阴极铜中铅铋碲

研究了用虱氧化铁共沉淀分离富集高纯阴极铜中铅、铋和碲的最佳条件与ICP-AES法的最佳工作条件。在选定的最佳条件下测铅、铋和碲的检出限分别为0．0034,0．013和0．0077μg·ml-1,回收率分别为97．8%-100．8%、95．5%-106．5%和98．5-100．5%。测定高纯阴极铜中铅、铋和碲,结果满意。     

中红外连续波单谐振光学参量振荡器热致相位失配

为了研究热致相位失配对中红外连续波单谐振光学参量振荡器(CW-SRO)输出效率的影响, 结合CW-SRO计算模型和热传导方程,利用有限元分析方法,重点对输出3.3 m波长闲频光的CW-SRO进行了分析。计算了不同信号光输出耦合率及不同泵浦功率下CW-SRO晶体输出截面上热致相位失配量的分布。由计算结果可以看出:晶体吸收腔中振荡信号光是导致晶体热效应的主要因素;在相同的输入条件下,泵浦功率在30 W以上时CW-SRO的热致相位失配将会大大降低其泵浦损耗率;通过增加信号光输出耦合率的方法,可以减少热致相位失配对CW-SRO输出效率的影响,但CW-SRO的振荡阈值会增加。     

Decoherence in elastic and polaronic transport via discrete quantum states

In this work we study the effect of decoherence on elastic and polaronic transport via discrete quantum states. Calculations are performed with the help of a nonperturbative computational scheme, based on Green’s function theory within the framework of polaron transformation (GFT-PT), where the many-body electron-phonon interaction problem is mapped exactly into a single-electron multi-channel scattering problem. In particular, the influence of dephasing and relaxation processes on the shape of the electrical current and shot noise curves is discussed in detail under linear and nonlinear transport conditions.     

On Weierstrass semigroups and sets: a review with new results

In this work we present a survey of the main results in the theory of Weierstrass semigroups at several points, with special attention to the determination of bounds for the cardinality of its set of gaps. We also review results on applications to the theory of error correcting codes. We then recall a generalization of the concept of Weierstrass semigroup, which is the Weierstrass set associated to a linear system and several points. We finish by presenting new results on this Weierstrass set, including some on the cardinality of its set of gaps.      

Pure strategy Nash equilibria and the probabilistic prospects of Stackelberg players

We consider the set of all m×n bimatrix games with ordinal payoffs. We show that on the subset E of such games possessing at least one pure strategy Nash equilibrium, both players prefer the role of leader to that of follower in the corresponding Stackelberg games. This preference is in the sense of first-degree stochastic dominance by leader payoffs of follower payoffs. It follows easily that on the complement of E, the follower’s role is preferred in the same sense. Thus we see a tendency for leadership preference to obtain in the presence of multiple pure strategy Nash equilibria in the underlying game.