质子与~(52)Cr反应数据理论计算与分析

在质子与48Ti,51V和52Cr反应的去弹截面、弹性散射角分布实验数据的基础上,获得了一组入射质子能量在150 MeV以下的质子与52Cr反应的光学势参数。应用光学模型、扭曲波玻恩近似理论、核内级联模型、蒸发模型、带宽度涨落修正的Hauser-Feshbach理论以及激子模型(含改进的Iwamoto–Harada模型)计算得到了质子与52Cr反应的所有截面、角分布、能谱和双微分截面。对理论计算结果与实验数据以及TENDL中的数据进行了比较分析,结果显示,理论计算结果与实验数据符合较好,且反应道截面优于TENDL的结果。     

放射性碘分子在Cu2O表面的吸附:第一性原理密度泛函研究

采用第一性原理密度泛函计算方法和周期性平板模型系统研究了放射性碘分子在Cu₂O三个低指数表面的吸附行为。通过计算若干平衡吸附构型的结构参数和吸附能评估了不同特征吸附位的作用。构型优化计算表明所选晶面存在适度的结构弛豫。计算结果表明,与Cu₂O（110）表面相比,Cu₂O（100）和（111）晶面表现出更高的碘分子吸附反应活性。其中,表面氧原子位（O_S）和配位未饱和铜原子位（Cu_CUS）分别为Cu₂O（100）和（111）晶面的能量最优吸附位点。此外,针对几种典型吸附结构计算分析了其电子结构信息,以进一步阐明吸附体系之间的相互作用机理。     

超重核的生成和衰变

简单介绍了近年来在超重核研究方面所取得的成就和理论方面所面临的挑战.着重介绍推广的液滴模型和准分子形状机制,它们的优点是考虑了精确的核半经、质量和电荷的不对称性、形变、亲和力和温度等.推广的液滴模型和准分子形状机制能很好地描述重核和超重核的裂变、衰变及完全熔合反应.The progress and challenge on studies of superheavy elements both experiments and theories has been briefly introduced. It is emphasis to introduce a generalized liquid drop model, including the proximity effects, the asymmetry, an accurate nuclear radius, and quasi molecular shapes. The α decay half lives of 373 nuclei and superheavy elements have been calculated in the generalized liquid drop model and compared with the available experimental data. The deformed energies have also been obtained ...     

气态碘在COF-103上吸附的理论研究

采用第一性原理和巨正则蒙特卡罗方法,模拟研究了气态碘分子(I₂)在共价有机框架材料(COF-103)中的吸附行为,并讨论了气态氧化物、氯化物和挥发性有机化合物(VOCs)等杂质气体的竞争吸附影响.结果表明,I₂偏向以垂直方式吸附于COF-103苯环的碳原子位,其中,长程色散相互作用具有重要的贡献,色散能在吸附能中的占比最多可达46%.I₂与COF-103之间存在少量电荷转移,且可能形成具有弱共价相互作用的次级键.杂质气体中苯分子(C₆H₆)的吸附能和等量吸附热最大,与COF-103的亲和性最强,并且可以占据I₂的吸附位点,从而引起I₂吸附量的显著降低.     

Deformed Potential Energy of Super Heavy Element Z = 120 in a Generalized Liquid Drop Model

The macroscopic deformed potential energy for super-heavy elements Z=120 is determined within a generalized liquid drop model (GLDM). The shell correction is calculated with the Strutinsky method and the microscopic single particle energies are derived from the shell model in an axially deformed Woods-Saxon potential with the same quasi-molecular shape. The total potential energy of a nucleus is calculated by the macro-microscopic method as the summation of the liquid-drop energy and the Strutinsky shell correction. The theory is adopted to describe the deformed potential energies in a set of cold reactions. The neck in the quasi-molecular shape is responsible to the deep valley of the fusion barrier due to shell corrections. In the cold fusion path, the double-hump fusion barrier is predicted by the shell correction and complete fusion events may occur. The results show that some of projectile-target combinations in the entrance channel, such as ^50Ca ^252Fm→120 and 58Fe 244 pu→^302 120 , favour the fusion reaction, which can be considered as candidates for the synthesis of super heavy nuclei Z=120 and the former might be the best cold fusion reaction to produce the nucleus ^302 120among them.     

铯在叶蜡石孔隙中吸附与扩散的分子动力学研究

本文采用分子动力学方法(molecular dynamics, MD)模拟研究了Cs~+在叶蜡石纳米孔隙中的吸附和扩散行为.径向分布函数和配位数的分析表明,在叶蜡石孔隙中Cs~+的第一水合壳层半径为3.05?,水合数为8.0～8.5.原子密度分布表明Cs~+是以外层表面络合物的形式吸附在叶蜡石基面上. Cs~+的水合结构及其吸附百分比受浓度和温度的影响均较小.随着温度升高, Cs~+热运动加剧导致其扩散系数显著增大.     

Halo Structure of Nucleus ^23Al

The recently measured reaction cross section of ^23Al is analysed in the Glauber model with an optical limit or few-body approach.It is found that the conventional fixed core-plus-nucleon model for halo nuclei is unable to explain the observed abnormally large reaction cross section of ^23Al by any selection of the halo nucleon configurations.The reaction cross section of ^23Al can be described when the core size is enlarged,although the Coulomb barrier lagely hinders the formation of a halo sturcture for proton-rich nuclei.This is consistent with the case in s-d shell neutron-rich nuclei,where an enlarged core was proposed to explain both the reaction cross section and longitudinal momentum distribution data.     

推广的Glauber理论及其在晕核散射中的应用

介绍了推广到晕核散射的Glauber理论,并用其研究晕核¹⁴Be的散射问题.弹核的密度分布分别采用谐振子密度分布和相对论平均场理论计算得到具有两个晕中子结构的密度分布,对晕核模型的多重积分采用蒙特卡洛数值积分方法.计算了不同能量下¹⁴Be,¹²Be与靶核¹²C散射的反应截面,并与实验结果进行比较,¹⁴Be的两个中子采用具有晕中子密度分布的理论计算与实验符合较好,而采用不具有晕中子密度分布的结果与实验值相差较大.     

Deformed Potential Energy of ^263Db in a Generalized Liquid Drop Model

The macroscopic deformed potential energy for super-heavy nuclei ^263 Db, which governs the entrance and alphadecay channels, is determined within a generalized liquid drop model (GLDM). A quasi-molecular shape is as-sumed in the GLDM, which includes volume-, surface-, and Coulomb-energies, proximity effects, mass asymmetry,and an accurate nuclear radius. The microscopic single particle energies are derived from a shell model in anaxially deformed Woods-Saxon potential with a quasi-molecular shape. The shell correction is calculated by theStrutinsky method. The total deformed potential energy of a nucleus can be calculated by the macro-microscopicmethod as the summation of the liquid-drop energy and the Strutinsky shell correction. The theory is appliedto predict the deformed potential energy of the experiment ^22Ne ^241Am→^263Db^*→^259Db 4n, which wasperformed on the Heavy Ion Accelerator in Lanzhou. It is found that the neck in the quasi-molecular shape isresponsible for the deep valley of the fusion barrier due to the shell corrections. In the cold fusion path, thedouble-hump fusion barrier is predicted by the shell correction and complete fusion events may occur.     

晕核和推广的Glauber理论

简要介绍了中子晕和质子晕研究的最新实验进展,同时,讨论了近年来发展的同位旋,能量有关的具有晕核结构的Glauber理论及它在描述晕核与核散射时的重要性.The development of new experiments for neutron (or proton) halo is briefly described, while the isospin and energy dependence of Glauber theory and its importance in describing halo nuclei-nucleus scattering are discussed.