小分子硫原子团簇正离子的结构稳定性

用分子图形软件设计出 4 9种硫原子团簇Sn+ (n =3～ 13)的结构 ,使用B3LYP密度泛函进行几何构型优化和振动频率计算 ,根据分子的总能量得出最稳定的同分异构体 .在硫原子团簇正离子中 ,大部分原子为二配位成键 .带有一、三配位的原子结构的总能量较高 .部分最稳定硫原子团簇正离子的构型与最稳定的中性硫原子团簇的构型完全不同 .     

Hölder’s inequalities involving the infinite product and their applications in martingale spaces

We prove Hölder type inequalities for integrals and conditional expectations involving the infinite product. Moreover, a generalized Doob maximal operator is introduced and weighted inequalities for this operator are established.     

S-Wave Shape Resonances in the Ps− System

We have investigated the S-wave shape resonance states of the positronium negative ion (Ps^?) system. The resonance poles are traced from H^? system to Ps^? by systematically varying the mass of the positively charged particle from infinitely heavy to one unit of the electron mass. The shape resonances that associated with and lying above the Ps(N = 2, 3, 4 and 5) thresholds are located by employing the complex-coordinate rotation method with highly correlated Hylleraas-type wave functions. It has been shown that the Ps^?(N = 3) shape resonance lies at an energy which is higher than the Ps(N = 4) thresholds and even the Ps^?(N = 4) shape resonance. An explanation was given to shed light on such phenomena.     

一类基于m-序列的正形置换的构造与计数

正形置换在密码学中有着广泛的应用,利用m-序列的"三项式特性",给出了一个构造n元正形置换的新方法,该方法既不同于已有的由n-2元构造n元正形置换,也不同于基于正交拉丁方的由n元构造n+1元正形置换的方法.     

GaInP/GaAs/Ge三结太阳电池不同能量质子辐照损伤模拟

以GaInP/GaAs/Ge三结太阳电池为研究对象,开展了能量为0.7, 1, 3, 5, 10 MeV的质子辐照损伤模拟研究,建立了三结太阳电池结构模型和不同能量质子辐照模型,获得了不同质子辐照条件下的I-V曲线,光谱响应曲线,结合已有实验结果验证了本文模拟结果,分析了三结太阳电池短路电流、开路电压、最大功率、光谱响应随质子能量的变化规律,利用不同辐照条件下三结太阳电池最大输出功率退化结果,拟合得到了三结太阳电池最大输出功率随位移损伤剂量的退化曲线.研究结果表明,质子辐照会在三结太阳电池中引入位移损伤缺陷,使得少数载流子扩散长度退化幅度随质子能量的减小而增大,从而导致三结太阳电池相关电学参数的退化随质子能量的减小而增大.相同辐照条件下,中电池光谱响应退化幅度远大于顶电池光谱响应退化幅度,中电池抗辐照性能较差,同时中电池长波范围内光谱响应的退化幅度比短波范围更大,表明中电池相关电学参数的退化主要来源于基区损伤.     

新型稀磁半导体Fe掺杂LiZnP的光电性质

采用基于密度泛函理论的第一性原理计算法研究了新型稀磁半导体Li_(1±)_y(Zn_(1-)_xFe_x)P (x=0, 0.0625;y=0, 0.0625)的电子结构、磁性及光学性质.结果表明,Fe的掺入使体系产生自旋极化杂质带,Fe的3d态与Li2s态,Zn4s态以及P3p态的态密度峰在费米能级处出现重叠,产生sp-d轨道杂化,此时体系净磁矩最大,材料表现出金属性,导电性增强.当Li空位时,导电性减弱,但杂质带宽度最大,居里温度最高.而Li填隙时,体系形成能最低,材料变为半金属性,表现为100%自旋注入,表明掺杂体系的磁性和电性可以分别通过Fe的掺入和Li的含量进行调控.对比光学性质发现,Li空位时,在介电函数虚部和复折射率函数的低能区出现新峰,扩大了对低频电磁波的吸收范围.能量损失函数表明掺杂体系具有明显的蓝移效应,且Li填隙时有更强的等离子共振频率.     

剪切形变下掺杂及缺陷对MoS2电子结构的影响

本文利用密度泛函理论,研究剪切形变下掺杂改性及不同类型缺陷对MoS2电子结构的影响。发现：剪切形变下,MoS2+P体系为相对最稳定的结构,掺杂改性相较于缺陷对模型稳定性影响更小;模型MoS2+P+Se中P-Mo键易形成共价键,而其中的Se-Mo键和MoS2+P-Mo-S模型中的P-Mo键,易形成离子键;掺杂使MoS2模型能隙变大,而缺陷使能隙减小,且S和Mo原子共缺陷的模型带隙为0;缺陷相较于掺杂改性模型,更能使Mo原子周围增加电荷聚集度,带隙值更低,更能影响或调控模型的电子结构。     

Multi-bright-dark soliton solutions to the AB system in nonlinear optics

The AB system is the basic integrable model to describe unstable baroclinic wave packets in geophysical fluids and the propagation of mesoscale gravity flows in nonlinear optics. On the basis of the spectral analysis of a Lax pair and the inverse scattering method, we establish the Riemann–Hilbert problem of the AB system. Then, the inverse problems are formulated and solved with the aid of the Riemann–Hilbert problem, from which the potentials can be reconstructed according to the asymptotic expansion of the sectional analytic function and the related symmetry relations. As an application, we obtain the multi-bright-dark soliton solutions to the AB system in the reflectionless case and discuss the dynamic behavior of elastic soliton collisions by choosing appropriate free parameters.     

Mindlin板几何非线性分析的附加内部剪应变法

本文在几何非线性分析的Ｍｉｎｄｌｉｎ板元中引入单元附加内部剪应变，有效地解决了薄板情况下的剪切自锁问题．文中导出了相应的能量相容条件，给出了有限元非线性列式的全过程及有关簿板及中厚板大挠度问题的数值结果．