强子有效质量与核子内夸克性质

论文包括两部分内容：利用强子动力学模型和相对论平均场近似方法研究了强子的有效质量；扩展了夸克质量密度相关的模型，讨论了核子的基本性质。 从非线性σ-ω-ρ模型拉氏量出发,给出了核物质标量密度和矢量密度的关系,利用其修正了K介子有效质量；在不变耦合系数和密度相关耦合系数下，研究了Θ+的有效质量，并发现在密度相关的耦合系数下，标量介子与重子的相互作用在高密度区域被削弱。 在改进的夸克质量密度相关(IQMDD)模型的基础上，引入了ω介子来描述夸克间排斥作用，给出了夸克和σ,ω场函数满足的方程, 通过自洽求解，分B^(1/4)=145MeV和c2=0两种情况，研究了在不同条件下夸克波函数和夸克密度的变化情况，给出了σ,ω场函数的分布。计算了rp，磁矩μp，以及核子的轴矢量与矢量的β衰变耦合系数之比gA/gv，发现与实验值有较好的吻合

重离子与~(nat)W相互作用中Hf的生成研究

用放射化学方法研究了6.3、8.5、11.8、14.7、18.4、24.6、40 MeV/nucleon ~(40)Ar + ~(nat)W、10.5 MeV/nucleon ~(84)Kr + ~(nat)W、80 MeV/nucleon ~(16)O + ~(nat)W、135 MeV/nucleon ~(12)C + ~(nat)W反应中的Hf的生成，得到了Hf同位素的激发函数、反冲性质和同位素分布。研究结果指出利用HIRFL能量的重离子和丰中子靶核作用，能以一定的截面生成A > 170区丰中子新核素。重炮弹更有利于丰中子新核素的生成。使用厚靶，可以明显地提高丰中子新核素的产额。过高的入射能量对丰中子新核素的生成无明显贡献，相反却极大地增加了缺中子同位素产额，这对丰中子新核素的分离和鉴别是非常不利的

中子重离子反应多重碎裂机制和核子运动形态研究

我们在量子分子动力学模型的框架下研究了中能重离子反应的多重碎裂机制。对40Ca+40Ca对称系统分别计算了在10-100MeV /u的不同能量卞，核子一核子相互作用势随时间的演变，相互作用势等位面图直观地反映了势能涨落的信息．在Elab=100MeV /u时，势能可能会出现正值，随后等位线不规则变形，导致了核子的混沌运动．研究了不同能区下单个核子的运动是规则的或是混沌的，与反应机制相关联．低能时核子间距随时间变化呈振荡行为，说明此时核子的运动是规则的．能量较高时，对李雅普诺夫指数的计算显示了此时核子的运动呈现混沌行为．这些结果表明了在中能区的重离子碰撞中发生的多重碎裂有可能是由混沌机制产生．

Conformational and orientational analyses of 2,2 '-bithiophene under interaction of external electric field constructed by point charges

The fully relaxed single-bond torsional potentials and orientation-related rotational potentials of 2,2'-bithiophene (BT) under the interaction of an external electric field (EF) constructed by point charges have been evaluated with semi-empirical AMI and PM3 calculations. The torsional potentials are sensitive to both EF strength and direction. While the EF is parallel to the molecular long axis, the torsional barrier around C-x-C-x' bond obviously rises with increasing the EF strength, whereas the relative energies of syn and anti minima show a slight change. The interaction between the EF and the induced dipole moment has been proposed to elucidate this observation. On the other hand, the relative energy difference between the syn and anti minima shows an obvious change, while the EF is perpendicular to the molecular long axis. This feature has been ascribed to the interaction between the EF and the permanent dipole moment of BT. Furthermore, conformational and orientational analyses in two dimensions have been carried out by changing the torsional and rotational angles in the different EF. The conformation and orientation of a gas-phase BT in the EF are governed by both the above factors.

Conformational analysis of 2,2 '-bithiophene under interaction of external electric field defined by point charges

Conformational analysis of 2,2'-bithiophene (BT) under the influence of an electric field (EF) constructed by point charges has been performed by using semi-empirical Austin Model 1 (AM1) and Parametric model number 3 (PM3) calculations. When the EF perpendicular to the molecular conjugation chain is applied, both AM1 and PM3 calculations show an energy increase of the anti-conformation. AM1 predicts that the global minimum shifts to syn-conformation when the EF strength is larger than a critical value. and PM predicts that the local minimum in anti-conformation vanishes. This kind of EF effect has been ascribed to the EF and dipole moment interaction.

Investigation of mechanism of nephelauxetic effect

By using the chemical bond theory of dielectric description and electronic structure of 3d elements, the mechanism of nephelauxetic effect is studied, and the main factors responsible for this effect are identified. These are: the covalency of chemical bond, polarizabilities of ligand bond volume for the host and the valence and spin state of the center ion. Relationships between these factors are given, and the results are discussed. (C) 1996 Elsevier Science Ltd. All rights reserved.

Study of the molecular configuration and the dipole moment in fluorinated liquid crystals

We have investigated the relationship between the molecular configuration and dipole moment of some fluorinated liquid crystals (LCs). The aeornetries of the molecules were preliminarily optimized at empirical AM1 and then were further optimized at B3LYP/6-31G(d) level. The dipole moment has been calculated. It is strongly influenced by the position and number of fluorine substituents in the benzene ring of the molecule. The polarizability, mean polarizabilities, and anisotropic polarizability of the phenylbicyclohexane (PBC) fluorine substituents are also given and discussed. (c) 2004 Wiley Periodicals, Inc.