硅单粒子位移损伤多尺度模拟研究

本文结合分子动力学方法和动力学蒙特卡罗方法, 研究了单个粒子入射硅引起的位移损伤缺陷的产生和演化过程; 基于Shockley-Read-Hall理论计算了单个粒子入射引起的位移损伤缺陷导致的泄漏电流增加及其演化过程, 比较了缺陷退火因子与泄漏电流退火因子之间的差异, 并将计算结果与实验值进行了对比. 结果表明, 计算泄漏电流时, 仅考虑一种缺陷的情况下缺陷退火因子与泄漏电流退火因子相同, 考虑两种缺陷类型情况下二者在数值上有所区别, 但缺陷退火因子仍能在一定程度上反映泄漏电流的退火行为. 分子动力学模拟中采用Stillinger-Weber势函数和Tersoff势函数时缺陷退火因子和泄漏电流退火因子与实验结果一致, 基于Stillinger-Weber势函数的计算结果与实验值更为接近.     

Joint decision and Naive Bayes learning for detection of space multi-target

In the photoelectric tracking system, the detection of space multi-target is crucial for target localization and tracking. The difficulties include the interferences from CCD smear and strong noise, the few characteristics of spot-like targets and the challenge of multiple targets. In this paper, we propose a hybrid algorithm of joint decision and Naive Bayes (JD-NB) learning, and present the duty ratio feature to discriminate the target and smear blocks. Firstly, we extract the proper features and train the parameters of the Naive Bayes classifier. Secondly, target blocks are preliminarily estimated with the Naive Bayes. Lastly, the 4-adjacent blocks of the candidate target blocks are jointed to analyze the distribution pattern and the true target blocks are secondarily extracted by the method of pattern matching. Experimental results indicate that the proposed JD-NB algorithm not only possesses a high recognition rate of better than 90% for the target block, but also effectively overcomes the disturbance of the smear block. Moreover, it performs well in the detection of small and faint targets when the SNR of the block is higher than about 0.014.     

New side-pump scheme for large mode area fiber lasers by wrapping polished fibers conjugate caustic removed

With the purpose of uniform gain coefficient along the axial direction in the core of gain guided and index anti-guided fiber, a new kind of side-pump scheme by wrapping particularly treated fibers around the central GGIAG fiber is reported in this paper. According to leakage mode analysis on wrapped fiber and numerical simulation on this pumping structure having ytterbium doped central fiber and conventional wrapped side fiber, we find this kind of pump scheme can improve the uniformity of gain coefficient along the fiber direction, and also, it can support multi channels of pumping sources by adding more side fibers to improve the total effective incident pumping power.     

Roles of γ-Fe2O3 in fly ash for mercury removal: Results of density functional theory study

First-principle calculations based on density function theory (DFT) are used to clarify the roles of γ-Fe₂O₃ in fly ash for removing mercury from coal-fired flue gases. In this study, the structure of key surface of γ-Fe₂O₃ is modeled and spin-polarized periodic boundary conditions with the partial relaxation of atom positions are employed. Binding energies of Hg on γ-Fe₂O₃ (0 0 1) perfect and defective surfaces are calculated for different adsorption sites and the potential adsorption sites are predicted. Additionally, electronic structure is examined to better understand the binding mechanism. It is found that mercury is preferably adsorbed on the bridge site of γ-Fe₂O₃ (0 0 1) perfect surface, with binding energy of −54.3 kJ/mol. The much stronger binding occurs at oxygen vacancy surface with binding energy of −134.6 kJ/mol. The calculations also show that the formation of hybridized orbital between Hg and Fe atom of γ-Fe₂O₃ (0 0 1) is responsible for the relatively strong interaction of mercury with the solid surface, which suggests that the presently described processes are all noncatalytic in nature. However, this is a reflection more of mercury's amalgamation ability.     

Control of reaction channels of CsI molecule by ultra-short laser pulse

The influence of the ultra-short pulse wavelength on the populations in the three electronic states of CsI molecule is investigated using the time-dependent wave packet method. The calculated results show that the populations in the two excited states approach to the maxima at the wavelengths of 369 nm and 297 nm, respectively. The photodissociation reaction channels of the CsI molecule can be chosen by controlling the pump pulse wavelength.     

Ga掺杂对ZnO纳米结构可见光发射的抑制效应

采用碳热还原反应和原位掺杂的方法制备了不同Ga掺杂浓度的ZnO纳米结构. X射线衍射 显示掺杂纳米结构中为单一的氧化锌纤锌矿结构. 扫描电子显微镜 观测发现随掺杂浓度的增大, 纳米结构的形貌逐渐从纳米六棱柱变为纳米锥.光致发光 和X射线光电子能谱 测量分别发现随着掺杂浓度升高, 纳米结构的可见发光强度和其中空位 氧峰相对强度逐渐减小直至消失, 两者存在很强的相关性. 上述结果为ZnO可见光发射的氧空位机理提供了新的实验证据. 对Ga掺杂抑制纳米结构中氧空位的原因进行了分析.     

Fractional charges and fractional spins for composite fermions in quantum electrodynamics

By using the Faddeev-Senjanovic path integral quantization method, we quantize the composite fermions in quantum electrodynamics (QED). In the sense of Dirac’s conjecture, we deduce all the constraints and give Dirac’s gauge transformations (DGT). According to that the effective action is invariant under the DGT, we obtain the Noether theorem at the quantum level, which shows the fractional charges for the composite fermions in QED. This result is better than the one deduced from the equations of motion for the statistical potentials, because this result contains both odd and even fractional numbers. Furthermore, we deduce the Noether theorem from the invariance of the effective action under the rotational transformations in 2-dimensional (x, y) plane. The result shows that the composite fermions have fractional spins and fractional statistics. These anomalous properties are given by the constraints for the statistical gauge potential.     

Synthesis, structure, and biological activity of novel (oxdi/tri)azoles derivatives containing 1,2,3-thiadiazole or methyl moiety

To develop novel inhibitors of ketol-acid reductoisomerase, a series of (oxdi/tri)azoles derivatives was synthesized and characterized by (1)H NMR, MS, elemental analyses, and crystallography. According to the biological activities of these compounds obtained both in vivo and in vitro, compound 4-cyclopropyl-3-((4-fluorobenzyl)thio)-5-methyl-4H-1,2,4-triazole showed excellent KARI inhibitory activity (100% at 100?μg?mL?(-1) in vitro). In addition, most of the title compounds exhibited good herbicidal activity against Brassica campestris in vivo.     

复杂混合溶液成分高光谱分析的可行性

采用高光谱技术对复杂混合溶液进行检测分析,同时利用被测物质的吸光度和散射特性信息以提高光谱的信噪比。实验设计了高光谱采集装置,采集生物组织模拟液(Intralipid-10%)的漫反射高光谱图像,并用Monte Carlo方法和漫射近似理论对其进行了正向和反向推导,获得了632nm波长下,Intralipid-10%吸收系数为0.002 0cm-1,与标准参数相对误差为11.1%;约化散射系数为63.35cm-1,与标准参数相对误差为6.49%,基本符合标准参数的误差范围,验证了该高光谱检测系统的准确性。还利用该高光谱系统对不同厂家出品的牛奶、果汁等样本进行了高光谱采集,得到不同样本间差异较传统二维光谱更为明显的结果,充分证明了高光谱方法在复杂混合溶液成分分析中具有很强的可行性。     

The 1/f noise in multiwalled carbon nanotubes

The $1/f$ noise in multiwalled carbon nanotubes bundles has been investigated between the frequency range of 0.1 to 30 Hz. At room temperature the noise spectrum is standard 1/f, and its level is proportional to the square of the bias voltage. With decreasing temperature the noise level also decreases. At 4.2 K the noise level follows a non-monotonic dependence against the bias voltage, showing a peak at a certain bias voltage, meanwhile its frequency dependence also deviates from the 1/f trend. This anomalous behaviour is discussed within the picture of environmental quantum fluctuation of charge transport in the samples.