分子和金表面相互作用的第一性原理研究

从第一性原理出发利用密度泛函理论研究了 4 ,4′ 二巯基联苯分子和金表面的相互作用 ,并利用了前线轨道理论和微扰理论定量地确定了该相互作用能常数. By using density functional theory, we have investigated the interaction between a thiol-phenyl molecule (4-4′-dimercaptodibenzene) and a gold surface. The frontier orbit theory and the perturbation theory are also employed to determine quantitatively the constant of interaction energy. The results show that the bonding between the sulfur atom and the gold atoms corresponds mainly to the covalent bond and some molecular orbits are extended over the molecule and gold cluster which certainly give channels...     

核ANC和激发态中子晕

利用转移反应¹¹B(d,p)¹²B和¹²C(d,p)¹³C抽取¹²B<—>¹¹B+n和¹³C<—>¹²C+n重叠函数的核渐近归一化常数,计算了¹²B和¹³C核中价中子密度分布的均方根半径及其在核外的几率.实验结果表明,¹²B的第二(J^π=2^－),第三(J^π=1^－)激发态和13C的第一(J^π=1/2⁺)激发态为中子晕态,而¹³C的第三(J^π=5/2⁺)激发态是中子皮态.考察了库仑势和角动量对晕形成的阻碍效应.提出了均方根半径对于有效核子分离能的统一的标度定律.     

电流并联负反馈放大器实验的研究

用实验的方法，研究电流并联负反馈对放大器性能的改善，提出电流型、并联型负反馈放大器性能参数的测量方法。     

射频腔光阴极注入器发射度研究

 在激光驱动的光阴极注入器产生的高亮度电子束中，空间电荷引起发射度的增长。分析了射频腔中引起发射度增长的因素以及解决这个问题的办法——在射频腔的阴极附近加一个螺旋聚焦磁场进行补偿，也给出了补偿后电子束的发射度并和数值模拟结果进行比较，实验测试表明，所得结果比较符合。     

橙皮素A的NMR研究

橙皮素A是从中药北沙参(Glehnia littoralis Fr. Schmidt ex Miquel)的正丁醇萃 取物中分离得到的一种8-O-4′-型异木脂素苷类化合物. 通过化学方法和波谱分析鉴 定了该 化合物的结构. 采用2D NMR技术对其NMR信号进行了全归属. DMSO-d₆代替CD₃OD作为溶剂，并利用重水交换，能准确读出偶合常数J_7,8值.      

(3+1)维Nizhnik-Novikov-Veselov方程的孤子解和周期解

采用行波法约化方程,建立一种变换关系,把求解(3+1)维NizhnikNovikovVeselov(NNV)方程的解转化为求解一维非线性KleinGordon方程的解,从而得到了(3+1)维NNV方程的孤子解和周期解. 关键词： (3+1)维Nizhnik-Novikov-Veselov方程 非线性Klein-Gordon方程 孤子解 周期解     

Monolithic integration of an AlGaN/GaN metalinsulator field-effect transistor with an ultra-low voltage-drop diode for self-protection

In this paper,we present a monolithic integration of a self-protected AlGaN/GaN metal-insulator field-effect transistor(MISFET).An integrated field-controlled diode on the drain side of the AlGaN/GaN MISFET features a selfprotected function for a reverse bias.This diode takes advantage of the recessed-barrier enhancement-mode technique to realize an ultra-low voltage drop and a low turn-ON voltage.In the smart monolithic integration,this integrated diode can block a reverse bias(> 70 V/μm) and suppress the leakage current(< 5 × 10-11 A/mm).Compared with conventional monolithic integration,the numerical results show that the MISFET integrated with a field-controlled diode leads to a good performance for smart power integration.And the power loss is lower than 50% in conduction without forward current degeneration.     

铝热剂反应性冲击热点分析

 采用激光粒度扫描仪测量了二元混合物铝热剂（Al+Fe₂O₃）原料的粒径分布,在电子显微镜下观察了铝颗粒、氧化铁颗粒的颗粒形状及两者按照化学配比混合后的颗粒接触状态。综合粒径分布和反应体系的化学配比关系,得到两种反应物的特征粒径和混合物的颗粒布局。根据特征粒径和颗粒布局,建立了该反应体系的等效细观模型,该细观模型能够保证得到与实际颗粒体系相一致的具有统计意义的孔穴结构。采用无网格粒子方法,数值模拟了铝热剂体系在不同冲击速度作用下,基本氧化铁颗粒排列形成的热点特征。研究表明,氧化铁三颗粒紧密排列的模式为形成单独热点的最基本排列,在平面冲击作用下,二元不同粒径的含能材料混合物形成热点的尺寸由初始孔穴尺寸确定,而热点温度受冲击速度影响较大。采用轻气炮对不同密度和配比的铝热剂进行了冲击点火实验,并将测量和数值计算结果进行了对比分析,结果表明,两者的定性结论吻合较好。     

Theoretical study of potential energy curves,spectroscopic constants,and radiative lifetimes of low-lying states in an SeO molecule

<正>The low-lying potential energy curves of the SeO molecule are computed by means of an ab initio multireference configuration interaction technique,taking into account relativistic(scalar plus spin-orbit coupling) effects.The spectroscopic constants ofΩstates for X~3∑~-,a~1△,b~1∑~+,A~3Π,A′~3△,and A″~3∑~+ states are obtained,and they are in good accordance with available experimental values.The Franck-Condon factors and transition dipole moments to the ground state are computed,and the natural radiative lifetimes of low-lyingΩstates are theoretically obtained. Comparisons of the natural lifetimes ofΩstates with previous experimental results and those of isovalent TeO molecule are made.     

类铁等电子序列AsⅧ—SrⅫ离子能级和波长的计算

通过分析类铁等电子序列ＡｓⅧ－ＳｒⅫ离子的能级结构，找出△Ｅ随Ｚｃ的变化规律，系统计算了ＡｓⅧ－ＳｒＸＸＶＩＩＩ离子３ｐ＾６ｄ＾８和３ｐ＾５３ｄ＾９组态的能级和跃迁波长，与实验结果进行了比较。