PbWO4晶体空位型缺陷电子结构的研究

采用基于密度泛函理论的相对论性离散变分和嵌入团簇方法计算了PbWO4晶体中与氧空位和铅空位相关缺陷的态密度分布,并运用过渡态方法计算了其激发能.结果表明:PbWO4晶体中WO3+VO缺陷的O2p→W5d跃迁可引起350nm和420nm附近的吸收,并且发现VPb的存在可以使WO42基团的禁带宽度明显变小 关键词： PbWO4晶体 密度泛函 氧空位和铅空位 态密度分布     

Difference discrete connection and curvature on cubic lattice Dedicated to Professor Sheng GONG on the occasion of his 75th birthday

In a way similar to the continuous case formally, we define in different but equivalent manners the difference discrete connection and curvature on discrete vector bundle over the regular lattice as base space. We deal with the difference operators as the discrete counterparts of the derivatives based upon the differential calculus on the lattice. One of the definitions can be extended to the case over the random lattice. We also discuss the relation between our approach and the lattice gauge theory and apply to the discrete integrable systems.     

紫外波段CH2I2分子的光解离动力学研究

利用离子速度成像方法,研究CH2I2分子在277—305nm范围内若干波长处的光解离动力学.通过同一束激光经(2+1)共振多光子电离(REMPI)过程探测光解碎片I(2P32)和I(2P12),得到了不同激发波长处的离子速度分布图像,从而获得CH2I2光解产物的能量分配和角分布.实验发现,碎片CH2I自由基有很高的内能激发,约占总可资用能的80%,该能量分配可以较好地用冲击模型来解释.实验还发现,产物I(2P32)和I(2P12)具有很不相同的平动能分布,结合所得到的碎片能量分配和角分布,我们对碎片I(2P32)和I(2P12)生成机理进行了分析,指出CH2I2分子电子激发态的绝热和非绝热解离决定了碎片的平动能分布. 关键词： CH2I2 离子速度成像 绝热和非绝热解离     

红外光谱对碱土金属二元羧酸盐结构的研究

研究了三十种二元羧酸金属盐的红外光谱，讨论了金属离子和二元酸的种类对二元酸盐配位结构的影响。发现Mg盐、Ba盐，Sr盐为螯合配位，Ca盐，Zn盐中同时存在螯合配位和桥式配位，二元酸的种类对羧酸盐配位结构没有影响。对羧酸盐在常温和熔融后的栩位方式和结构上的差异的研究结果表明，Mg盐，Ca盐与Sr盐，Ba盐在熔融后的结构变化不同。     

Bimodal fission in binary and ternary spontaneous fission of 252Cf

The hot bimodal fission of ²⁵²Cf is reexamined with new high-statistics data. We constructed a γ-γ-γ coincidence cube for binary fission and LCP-gated γ-γ matrix for ternary fission. By identifying the secondary fission fragments from their γ-ray transitions, we measured the yields for various fission splits. The normal neutron yield distribution is found to be Gaussian for Xe-Ru. However, the binary fission split of Ba-Mo is found to exhibit a bimodal neutron distribution with the “hot mode” corresponding to ≈3.1% of the total yield. In α ternary fission, the first measurements of yields for specific fission splits are presented. The Te-α-Ru and Xe-α-Mo neutron yields fit well with a single mode, but the Ba-α-Zr split shows evidence for an enhanced hot mode with an intensity of ≈13.8% of the normal mode. The text was submitted by the authors in English.     

Precise measurement of magnetic moment of short-lived β-emitting nuclei12B ( I π=1+, T 1/2=20.18 ms)

The spin polarized β-emitting nuclei¹²B (I ^π=1⁺,T _1/2=20.18 ms) were produced by the nuclear reaction¹¹B(d, p)¹²B and by the selection technique of the incident deuteron energy and the¹²B recoil angle following the nuclear reaction. The nuclear magnetic moment of the short-lived nuclei¹²B was measured by β-NMR with the β-NMR and β-NQR setup established for the first time in China. The nuclear magnetic moment of¹²B was determined to be μ=0.99993±0.00048 nm org=0.99993±0.00048 after the precise correction of the Knight shift.     

Boundary value problems for first order impulsive delay differential equations with a parameter

In this paper, by means of the method of upper and lower solutions and monotone iterative technique, the existence of maximal and minimal solutions of the boundary value problems for first order impulsive delay differential equations is established.     

用改进嵌入原子法计算Cu晶体的表面能

用改进嵌入原子法(MEAM)计算了Cu晶体12个晶面的表面能.结果表明，密排面(111)的表面能最小.其他晶面的表面能随其晶面与(111)晶面夹角的增加而增加，据此可以粗略地估计各晶面表面能的相对大小.给出的几何结构因子的确定方法及结果可以直接用于计算其他面心立方晶体的表面能及其他特性.在Cu,Ag等面心立方薄膜中出现(111)择优取向或织构的机理是表面能的最小化. 关键词： 改进嵌入原子法 铜 表面能 计算     

邻域并与泛圈图

本文中 ,我们用邻域并对泛圈图进行深入的研究 ,主要取得了“2连通 n( n≥ 3 )阶图 G,满足下列条件之一 ,则 G是泛圈图 : :δ≤ ( n-7) /3 ,N C≥ ( 2 n-3 ) /3 ; :( n-6) /3≤ δ≤ ( n+2 ) /3 ,N C≥ 2 n/3 ; :δ≥ ( n+3 ) /3 ,N C≥ ( 2 n-3 ) /3 .当 3≤ n≤ 14时 ,N C≥ 2 n/3”