双核系统核子转移驱动势与复合核的最佳激发能

计算了以208Pb为靶的一系列重离子熔合反应双核系统核子转移驱动势.它制约由输运方程所支配的核子转移速率,因而确定了双核系统形成复合核的几率.并由此可确定形成复合核所必须的最低激发能,即形成最稳定复合核的最佳激发能,得到了与已知实验值基本符合的结果. Particle transfer driven potentials in Di nuclear System (DNS) in heavy ion collisions based on 208Pb target are calculated. The driven potential controls the particle transfer velocity in the process governed by the diffusion equation, and as a consequence determines the compound nuclear formation probability of DNS. The minimum excitation energy to form a compound nucleus, which is the optimum excitation energy to form the most stable compound nucleus, has been calculated, and the results are basica...     

RNAGCN: RNA tertiary structure assessment with a graph convolutional network

RNAs play crucial and versatile roles in cellular biochemical reactions. Since experimental approaches of determining their three-dimensional (3D) structures are costly and less efficient, it is greatly advantageous to develop computational methods to predict RNA 3D structures. For these methods, designing a model or scoring function for structure quality assessment is an essential step but this step poses challenges. In this study, we designed and trained a deep learning model to tackle this problem. The model was based on a graph convolutional network (GCN) and named RNAGCN. The model provided a natural way of representing RNA structures, avoided complex algorithms to preserve atomic rotational equivalence, and was capable of extracting features automatically out of structural patterns. Testing results on two datasets convincingly demonstrated that RNAGCN performs similarly to or better than four leading scoring functions. Our approach provides an alternative way of RNA tertiary structure assessment and may facilitate RNA structure predictions. RNAGCN can be downloaded from https://gitee.com/dcw-RNAGCN/rnagcn.     

腺苷酸激酶催化循环后期Mg2+转移的分子动力学模拟

腺苷酸激酶是一个包含三个结构域(LID结构域、NMP结构域和CORE结构域)的蛋白质分子,其主要作用是催化化学反应Mg²⁺ + ATP + AMP ⇌ 2ADP + Mg²⁺,进而将细胞内ATP分子的浓度维持在合适的范围内。在腺苷酸激酶催化上述化学反应的过程中,需要有Mg²⁺的参与。最近的实验发现Mg²⁺不仅参与上述反应的化学步骤,而且对化学反应发生后底物的释放过程至关重要。已有晶体结构数据显示,在催化循环过程的化学反应步骤完成后,一个Mg²⁺可同时和分别位于LID结构域及NMP结构域的两个ADP分子配位。然而,在底物的释放与分离过程中, Mg²⁺可能只与其中一个ADP分子结合。由于Mg²⁺与ADP分子的结合情况会在很大程度上影响作为催化循环限速步骤的底物释放过程,因此人们有必要研究清楚在底物释放前Mg²⁺与催化产物ADP分子的配位情况,即Mg²⁺更倾向于与LID结构域的ADP分子结合还是与NMP结构域的ADP分子结合。本文中,我们对催化反应后底物释放前的酶-底物复合物(包含酶、两个ADP分子以及Mg²⁺)做了分子动力学模拟研究。我们基于metadynamics方法得到了Mg²⁺在两个ADP分子间转移的自由能面,发现在底物分离与释放过程中, Mg²⁺更倾向于与LID结构域的ADP分子结合。只有当LID结构域的ADP分子被质子化,同时NMP结构域的ADP分子处于去质子化状态时, Mg²⁺才会倾向于与NMP结构域的ADP分子结合。另外,我们也刻画了Mg²⁺转移过程中配体交换与脱水过程。本工作的研究结果有助于理解腺苷酸激酶催化循环后期的分子过程。     

HIRFL-CSRm内靶实验终端CsI(Tl)电磁量能器性能模拟

基于GEANT4模拟了HIRFL CSRm内靶实验终端的CsI(Tl)电磁量能器系统,给出了CsI电磁量能器的最佳设计参数及可能达到的性能.结果表明,设计的CsI(Tl)电磁量能器系统能够满足所研究的物理要求. Based on the GEANT4, the performance of the electromagnetic calorimeter (EMC) of the internal-target detector at HIRFL-CSRm is simulated. The simulation results show that 1.5%—3% of the energy resolution σ_E/E and 2° of the polar angular resolution σ_θ can be obtained. The invariant mass of the π~0 decay can be reconstructed well. The performance can meet the requirement of studying the proposed physics at HIRFL-CSRm.     

同位旋激发能研究

在扩展的Skyrme有效相互作用下,利用Hartree-Fock理论研究了同位旋激发能与温度、密度的关系.结果表明同位旋激发能随密度的降低以及温度的增加而降低.同时研究了对称能与同位旋激发能的关系,指出对称能是同位旋激发能的一部分,且占相当大的比重.最后研究了不同的势参数下,同位旋激发能随相对中子过剩的变化关系,发现同位旋激发能较强地依赖于对称能强度系数,而对不可压缩系数以及有效质量不太敏感.从而为实验上通过研究同位旋激发能来提取核物质状态方程中的对称能部分指出了一条途径.     

PMoO/SiO2非均相催化碘离子氧化研究

以正硅酸乙酯(TEOS)为硅源,采用溶胶-凝胶法制备一系列非均相多钼氧簇催化剂(PMoO/SiO_2)。通过FT-IR、XRD、SEM等对其结构加以表征。以过氧化氢为氧化剂、PMoO/SiO_2为催化剂,研究PMoO/SiO_2的负载量、反应温度、pH对催化活性的影响,利用计算机模拟揭示多钼氧簇与二氧化硅之间的相互作用。研究表明:催化剂PMoO/SiO_2在负载量为25%、反应温度45℃、pH=1.4条件下碘离子的氧化反应速率为9.25×10~(-5)mol/(L*s),与未添加催化剂相比,PMoO/SiO_2的催化效果提高6.85×10~3倍。PMoO倾向于物理吸附在不定形SiO_2的富Si面,同时以形成O-H键和O-Si键的形式发生化学相互作用,使得电子从不定形SiO_2向PMoO表面转移,发生协同催化作用。催化剂在循环使用十次之后催化碘离子转化率仍高达86.5%,循环使用性好,无过氧化,具有较好的工业应用前景。     

γ射线和PET用晶体单元相互作用特性的研究

γ射线与晶体单元的相互作用特性对于PET探测器的研制有着重要的参考意义. 通过实验测得了不同能量的γ射线在BGO, CsI, NaI 3种闪烁晶体中的探测效率、 能量分辨率等相互作用特性参数, 并与蒙特卡洛模拟结果进行了比较. 结果给出了最适合PET探测器的晶体单元. It’s important for development of PET detector that the interaction effect of γ rays and scintillator units are studied. The detection efficiencies and energy resolutions of γ rays for BGO, CsI and NaI crystal detector units are measured. Geant4 Monte Carlo simulations are compared with the experimental results. The results of the best detection units for PET detector are presented.     

中子星的转动惯量与表面红移的研究

在温度、密度及同位旋相关的核物质状态方程的基础上,通过求解Tolman–Oppenheimer–Volkoff方程,得到了中子星的转动惯量与表面红移.计算结果表明,中子星的转动惯量较强地依赖于核物质的不可压缩系数与对称能强度系数,而对核子有效质量不太敏感;中子星的表面红移却对对称能强度系数不太敏感,而较强地依赖于不可压缩系数与核子有效质量.     

化学不稳定性和同位素分布的同位旋效应

采用同位旋相关的量子分子动力学模型,研究了在轰击能量为40MeV/u和100MeV/u时,¹¹²Sn+¹¹²Sn和¹²⁴Sn+¹²⁴Sn反应产物的同位素分布.发现在40MeV/u时,同位素分布与入射体系的同位旋密切相关;而在100MeV/u时,对这两种不同同位旋体系给出几乎相同的同位素分布.这种同位素分布的能量依赖性为研究化学不稳定性及其与力学不稳定性的竞争提供了新途径 关键词： 化学不稳定性 同位旋效应 同位素分布 同位旋相关的量子分子动力学     

Entrance Channel Dependence of Production Cross Sections of Superheavy Nuclei in Cold Fusion Reactions

Production cross sections of superheavy nuclei Rf and Hs for asymmetric and nearly symmetric projectile-target combinations are systematically studied within the framework of the dinuclear system model. The calculated results show that the production cross sections are strongly dependent on the symmetry of reaction systems. The obtained results are in good agreement with the available experimental data for asymmetric reaction systems.For nearly symmetric systems, the model gives opposite results with coupled channel model in which surface vibration and nucleon transfer are included.