斜入射脉冲X射线产生电流实验

针对斜入射脉冲X射线与金属的几种可能相互作用机制,设计了实验布局,测量了斜入射X射线在金属靶上产生的脉冲电流,建立了相应的理论模型。结果显示,当X射线入射强度低于105 W/cm2时,以光电效应为主,高于此值时,以热电效应为主导。这表明,X射线加载强度较弱时,电子表现出个体行为,而增大X射线入射强度,电子表现出弱关联集体行为。由此可以预测,超强X射线辐照下,金属表面将出现宏观尺度的电荷密度调制,在退激发过程中,这种调制状态可能以较高的效率辐射定向的微波电磁脉冲。     

Global solvability for quasilinear parabolic equation with inhomogeneous density and a source

We study the Cauchy problem for quasilinear parabolic equation with inhomogeneous density and a source. We show that this problem has a global solution under the assumptions that initial datum is small enough in the integral sense and the source term has overcritical behaviour. The sharp estimates of a solution is obtained as well.     

New ordered MAX phase Mo_2 TiAlC_2: Elastic and electronic properties from first-principles

First-principles computation on the basis of density functional theory(DFT) is executed with the CASTEP code to explore the structural, elastic, and electronic properties along with Debye temperature and theoretical Vickers' hardness of newly discovered ordered MAX phase carbide Mo_2TiAlC_2. The computed structural parameters are very reasonable compared with the experimental results. The mechanical stability is verified by using the computed elastic constants. The brittleness of the compound is indicated by both the Poisson's and Pugh's ratios. The new MAX phase is capable of resisting the pressure and tension and also has the clear directional bonding between atoms. The compound shows significant elastic anisotropy. The Debye temperature estimated from elastic moduli(B, G) is found to be 413.6 K. The electronic structure indicates that the bonding nature of Mo_2TiAlC_2 is a mixture of covalent and metallic with few ionic characters. The electron charge density map shows a strong directional Mo–C–Mo covalent bonding associated with a relatively weak Ti–C bond.The calculated Fermi surface is due to the low-dispersive Mo 4d-like bands, which makes the compound a conductive one.The hardness of the compound is also evaluated and a high value of 9.01 GPa is an indication of its strong covalent bonding.     

(CH3)2和(NH2)2基团修饰的齐聚苯乙炔分子电子输运性质研究

采用密度泛函理论和非平衡格林函数相结合的方法研究了S原子作为单、双端基的(CH₃)₂-OPE (齐聚苯乙炔)和(NH₂)₂-OPE分子在金电极间的电子输运性质. 通过第一性原理优化计算获得分子部分稳定结构, 再置于Au电极之间构成两极系统, 然后再优化整个两极系统获得稳定结构. 另外, 通过非平衡格林函数方法计算了两极系统的电子输运性质. 计算结果表明, 不同的修饰基团和桥接方式可以导致两极系统的开关效应、负微分电阻行为和整流行为等不同的电子输运性质. 通过计算不同偏压下的分子体系投影轨道电子分布、透射谱、态密度, 对这些新异的电输运性质出现的机理进行了解释.     

高温条件下Ga3PO7晶体热学及声表面波性质的理论研究

高温压电晶体是许多机电器件必需的一种多功能材料, Ga₃PO₇晶体的居里温度高达1364 ℃, 可应用于高温极限条件. 但是预测高温极限条件下晶体的结构以及物理性质的问题采用实验研究的手段非常困难, 而理论上的预测未见研究. 本文采用密度泛函-准谐振近似理论计算了温度在0-1200 ℃范围内Ga₃PO₇ 晶体的结构常数和热学性质, 结果表明Ga₃PO₇晶体的晶格常数a和c随温度的升高呈线性增大, 且c方向受温度影响更为显著; 晶体的密度随温度的升高而减小, 计算的a 和c方向平均热膨胀系数分别为1.67×10^-6 K^-1和3.58×10^-6 K^-1, 高温区定压热容为2.067 J/g·K, 与实验值一致. 计算了从常温到高温下该晶体的弹性常数以及体弹性模量的变化, 研究了高温条件下的声表面波特性, 发现随着温度的升高, 声表面波速度浮动较小, 而机电耦合系数略有增大; 在传播角为151° 时该晶体具有较好的温度稳定性且机电耦合系数达到最大值, 这表明Ga₃PO₇ 晶体是一种有望应用于高温环境下的压电晶体.     

威布尔分布族刻度参数的经验Bayes检验函数的收敛速度

本文研究了在"加权线性损失"下,威布尔分布族刻度参数经验Bayes (EB)检验问题.利用概率密度函数的递归核估计,构造了刻度参数的经验Bayes检验函数,并获得了它的收敛速度,在适当的条件下,收敛速度的阶可任意接近O(n^-1),推广了文献的结果.最后给出一个有关本文主要结果的例子.     

First-principles investigation of electronic structure,effective carrier masses,and optical properties of ferromagnetic semiconductor CdCr_2S_4

The electronic structures, the effective masses, and optical properties of spinel CdCr_2S_4 are studied by using the fullpotential linearized augmented planewave method and a modified Becke–Johnson exchange functional within the densityfunctional theory. Most importantly, the effects of the spin–orbit coupling(SOC) on the electronic structures and carrier effective masses are investigated. The calculated band structure shows a direct band gap. The electronic effective mass and the hole effective mass are analytically determined by reproducing the calculated band structures near the BZ center.SOC substantially changes the valence band top and the hole effective masses. In addition, we calculated the corresponding optical properties of the spinel structure CdCr_2S_4. These should be useful to deeply understand spinel CdCr_2S_4 as a ferromagnetic semiconductor for possible semiconductor spintronic applications.     

Nonlinear force density method for the form-finding of minimal surface membrane structures

We develop an alternative approach for the form-finding of the minimal surface membranes (including cable membranes) using discrete models and nonlinear force density method. Two directed weighted graphs with 3 and 4-sided regional cycles, corresponding to triangular and quadrilateral finite element meshes are introduced as computational models for the form-finding problem. The triangular graph model is closely related to the triangular computational models available in the literature whilst the quadrilateral graph uses a novel averaging approach for the form-finding of membrane structures within the context of nonlinear force density method. The viability of the mentioned discrete models for form-finding are studied through two solution methods including a fixed-point iteration method and the Newton–Raphson method with backtracking. We suggest a hybrid version of these methods as an effective solution strategy. Examples of the formation of certain well-known minimal surfaces are presented whilst the results obtained are compared and contrasted with analytical solutions in order to verify the accuracy and viability of the suggested methods.     

Spectroscopic studies of sodium nitrate plasma produced by nanosecond laser ablation

We present the optical emission characteristics of the sodium plasma produced at the surface of sodium nitrate (NaNO₃) also known as Chile saltpeter. We used a Q-switched Nd:YAG (Quantel Brilliant) pulsed laser having a pulse duration of 5?ns and 10?Hz repetition rate which is capable of delivering 400?mJ at 1064?nm and 200?mJ at 532?nm. The target material was placed in front of laser beam in air (atmospheric pressure). The experimentally observed line profiles of neutral sodium have been used to extract the electron temperature using the Boltzmann plot method, whereas the electron number density has been determined from the Stark broadening. The electron temperature is calculated by varying the distance from the target surface along the line of propagation of the plasma plume and also by varying the laser irradiance. Besides, we have studied the variation of number density as a function of laser irradiance as well as its variation with the distance from the target surface. It is observed that electron temperature and electron number density increase as the laser irradiance is increased.     

基于发射光谱及成分分析的激光除漆机理研究

基于激光诱导击穿光谱和X射线能谱技术,测量了激光与油漆作用时发射光谱及作用前后元素成分的变化,以此研究了激光除漆的机理。实验测量了不同纳秒激光能量下激光诱导击穿油漆表面的光谱,计算了等离子体的电子密度和温度。通过扫描电子显微镜对油漆烧蚀形貌进行了分析,采用X射线能谱仪测量了烧蚀前后油漆成分的变化。研究结果表明,等离子体电子密度、温度以及烧蚀区域大小都随着入射激光能量的增加逐渐增加。在激光作用前后油漆中碳(C)含量明显降低,原子百分比从78.25%降低到67.07%,说明激光与油漆作用过程中发生了烧蚀。通过对比钛(Ti)元素、C元素和铝(Al)元素的相对原子比例,表明更高的激光能量下油漆烧蚀的更剧烈。该工作对深入研究激光除漆机理有重要意义。