Wigner distribution function of Gaussian beam through an apertured and misaligned ABCD optical system

By expanding the hard aperture function into a finite sum of complex Gaussian functions, approximate analytical expressions of Wigner distribution function for fundamental mode Gaussian beam through an apertured and misaligned ABCD optical system are derived. Compared with the aligned case, results show that the misaligned optical system will introduce in the output Wigner distribution function a coordinate shift in space-frequency plane. To examine the analytical results, some numerical simulations are carried out and the absolute errors between analytical results and numerical integral ones are presented. It is shown that the approximate analytical results are proper and ascendant.     

多目标大博弈中弱Pareto-Berge均衡的存在性

研究了具有任意多个局中人的非合作多目标博弈(多目标大博弈).基于一般非合作博弈中的Berge均衡概念,定义多目标大博弈中的弱Pareto-Berge均衡.进一步推广了截口定理,得到新的截口定理,并且利用这个新的截口定理证明多目标大博弈中弱Pareto-Berge均衡的存在性.多目标大博弈中弱Pareto-Nash均衡的存在性结论可作为弱Pareto-Berge均衡存在性的特例给出.     

H2O和HLi分子的双光子激发

用全相对论量子力学计算H2O和HLi的双光子偶极激发。为对比起见,同时用非相对论的对称匹配团族-组态相互作用法(SAC-CI)计算其单光子激发。对于无对称中心的H2O和HLi,符合相应群的对称选择原则。双光子跃迁几率一般比单光子跃迁的小3～5个数量级。在计算双光子偶极激发时,应采用同时包含了空间的对称性和时间反转对称性的全相对论。     

超高比表面积碳气凝胶常压干燥制备与结构分析

以间苯二酚(R)-甲醛(F)为原料,加入表面活性剂P123以增强材料的骨架强度的方法,采用常压干燥技术制备了RF碳气凝胶,并进行了二氧化碳活化以调节其孔结构。扫描电子显微镜(SEM)测试表明,常压干燥的碳气凝胶结构中具有更大的纳米颗粒,骨架结构变粗,活化使碳气凝胶骨架结构更加致密;红外吸收光谱(FTIR)表明,表面活性剂P123中的醚键与RF苯环中的羟基存在强的相互作用,碳化后P123特征峰消失;热重曲线(TG和DTG)分析说明P123在440 ℃左右分解完全,不会对碳气凝胶的成分产生影响,并能起到良好的造孔作用;氮气吸附表明常压干燥制备的碳气凝胶比表面积约为570 m2/g,活化之后的比表面积高达3 500 m2/g左右。     

快速凝固Cu-1.5%Be合金的制备

采用单辊旋淬法制备了快速凝固Cu-1.5%Be合金(Be质量分数1.5%)薄带。根据热传输平衡方程对快速凝固冷却速率进行了估算,并借助X射线衍射仪、扫描电子显微镜对该合金的微观结构及相选择进行了分析。结果表明:当辊面线速度在29.93~39.19 m/s范围内时,合金冷却速率可达到9.80105~1.63106 K/s;随着辊轮转速的提高和喷注气压的减小,合金条带厚度和晶粒度逐渐变小;随着冷却速率的增加,溶质截留效果显著,合金相结构由复相向单相转变,当辊面线速度达到34.54 m/s时,Cu-1.5%Be合金可形成过饱和的-Cu固溶体组织,且组织细小均匀,可获得纳米晶;条带横断面显微组织由接近辊面一侧的细小等轴晶区、中间的柱状晶区和靠近自由表面的等轴晶区组成。     

The effects of insertion of nitrogen atoms on the aromatic nitrogen‐containing compounds: a potential approach for designing stable radical molecular materials

The effects of insertion of nitrogen atoms on the N―H bond strength of azaphenalene and on the stability of the corresponding radicals were comprehensively investigated using density functional theory. The N―H bond dissociation enthalpy of azaphenalene is found to be strengthened in all cases, but the magnitudes are various with the replaced sites and are additive. It is correlated with the coefficient of frontier molecular orbital; that is, it is correlated with the electron density distribution of the outer electrons. The computational results explain why the product substituted with two CH groups by N atoms in the phenalenyl skeleton yielded radical easily, whereas the product replaced with six nitrogen atoms failed. In addition, the effects of insertion of nitrogen atoms in other aromatic nitrogen‐containing compounds, including carbazole, indole, and pyrrole, were also studied. All the understanding about the insertion effects of nitrogen atoms would be helpful in designing novel molecules for specific applications, such as functional materials and antioxidants. Copyright © 2011 John Wiley & Sons, Ltd.     

反式二丁烯和氢气流量比对辉光放电聚合物热稳定性能的影响

用低压等离子体化学气相沉积法,以T2B和H2为工作气源,改变T2B与H2的流量比例制备了辉光放电聚合物(GDP)涂层。通过GDP碳氢涂层的傅里叶变换红外吸收光谱讨论了流量比例对其内部结构的影响,利用热重曲线表征了GDP碳氢涂层在50~600℃范围内的热失重情况,并且结合其结构讨论了流量比例变化对GDP碳氢涂层的热稳定性的影响,最后探讨了GDP碳氢涂层可能的热裂解过程。结果表明:随着T2B与H2流量比的增大,GDP碳氢涂层中C(sp2)-Hx/C(sp3)-Hx含量逐渐降低,-CH3含量增加,碳链逐渐变短而支链含量增加,其热稳定性逐渐变差。以T2B与H2流量比为0.04时,可以成功制备出ICF物理实验所需的靶丸烧蚀层。     

密度泛函理论研究LiX(X=H,D,T)体系的热力学性质

运用量子力学从头计算方法,计算了氢化锂(氘化锂、氚化锂)分子的部分热力学函数和力学、光谱学性质。基于准简谐Debye模型,计算了固体Li的振动内能、振动和电子熵,探讨了Li吸收氢同位素气体生成一氢化物的反应熵变、生成焓变和生成Gibbs自由能及氢同位素的平衡离解压。结果显示:在Li吸收同位素气体生成一氢化物的反应中,生成焓变和反应熵变均为负值,且随温度升高,绝对值越大,Gibbs自由能则向正的方向增加。热力学上,在相同温度和压力下,氢置换一氢化物中的氘和氚、及氘置换氚的反应更易发生。     

Discussion about the DCT/FFT phase-unwrapping algorithm for interferometric applications

After discussing Schofield's fast Fourier transform (FFT) algorithm, a (weighted) discrete-cosine-transform-based (DCT-based) phase-unwrapping (PU) algorithm is described. The algorithm could unwrap some high-phase-variation map which the FFT algorithm could not solve. Although the DCT algorithm is derived from Schofield's FFT PU algorithm, unlike FFT, it avoids the mirroring operation in implementing the boundary conditions so that it has higher efficiency in PU. Furthermore, in order to improve the reliability and noise robustness, we introduce the phase derivative variance (PDV) quality weight extracted from quality map into the DCT algorithm. The unwrapped results of both the computer-simulated and interferometric synthetic aperture radar (IFSAR) data demonstrate that the (weighted) DCT PU algorithm is generally effective, especially in dealing with the high-phase-variation and/or irregular-phase-distribution maps.     

S2分子X^3—Σ^—g和B^3Σ^—u态的势能函数和振动光谱特征

应用实验光谱数据，导出了Ｓ２的基态分子Ｘ３Σ－ｇ和激发态Ｂ３Σ－ｕ的ＭｕｒｅｌＳｏｒｂｉｅ势能函数，并用ＱＣＩＳＤ（Ｔ）／６－３１１Ｇ方法对基态进行了计算，结果在吸引支出现了回避相交而产生了一个浅平极大，其他部位与实验结果符合甚好。计算了Ｂ３Σ－ｕ和Ｘ３Σ－ｇ态的全部振动能级，以及激发态（Ｂ３Σ－ｕ）振动能级≤９和基态（Ｘ３Σ－ｇ）振动能级≤３０之间的Ｄｅｓｌａｎｄｒｅｓ表。给出了Ｂ３Σ－ｕ－Ｘ３Σ－ｇ跃迁Ｃｏｎｄｏｎ抛物线，各振动态的计算结果与实验值很好符合。