SiH4+H→H2+SiH3反应的约化维数计算

对SiH4+ H→H2+SiH3反应体系应用SVRT模型进行了4维的量子动力学计算.将得到的速率常数与实验数据以及其他理论方法进行比较,得出了一些有意义的结论,并与CH4+H→H2+CH3反应在同种理论模型下做了对比,较好的与实验相吻合.最后验证了理论方法以及势能面的正确性.     

试用特洛伊木马方法研究天体核反应9Be(p,α)6Li

为克服低能带电粒子核反应截面直接测量中所遇到的库仑位垒和电子屏蔽效应带来的困难，试用基于准自由反应机制的特洛伊木马方法，在意大利南部国家核物理实验室的15MV串列加速器上，通过^2H（^9Be，α^6Li）n核反应对^9Be（p，α）^6Li在低能区（Ecm=0-1000kev）的裸核反应截面做了间接测量，并将测量结果与直接测量数据进行了比较。     

H4+的稳定性及形成和分解过程实验研究

利用Penning ion trap获得了七种不同延时时间(即反应时间)的离子谱Hn+(n≤4),用充分的实验数据证实了H4+是稳定的,稳定时间达1秒量级。实验结果显示：H4+是经合成反应H2++H2→H4+,H3++H+H2→H4++H2产生的;H4+的分解产物是H3++H。分析得出：H4+构型为H3+-核构型。     

Cs(8S -4F)-Ar，H2的碰撞能量转移

利用脉冲激光器双光子激发Cs-H2（或Ar）样品池中的Cs原子至8S态,研究了Cs(8S)+M→Cs(4F)+M ,(M= H2,Ar)碰撞能量转移和Cs(4F)+H2→CsH+H反应过程,建立了二能级模型的速率方程组。在不同的Ar密度下测量直接8S→6P与敏化4F→5D积分荧光强度比,得到8S→4F转移速率系数5.3×10-12cm3s-1和4F态的猝灭速率系数4.4×10-13cm3s-1。用相同的方法测得Cs－H2中8S→4F的转移速率系数为1.0×10-9cm3s-1,而4F态的猝灭速率系数1.3×10-10cm3s-1比Cs－Ar中大得多,它是反应与非反应速率系数之和。利用实验数据确定非反应速率系数为8.3×10-11cm3s-1,得出Cs（4F）与H2的反应截面为(2.0±0.8)×10-16cm3s-1。与已有的其它实验结果比较,Cs各激发态与H2的反应活动性顺序为7P>4F>6D>8S。     

SiH3+O(3P)反应机理的理论研究

利用abinitio方法对SiH3+O(3P)反应进行了理论研究,在MP2/6-311+G(d,p)水平上优化得到了反应途径上的反应物、中间体、过渡态和产物的几何构型,并在QCISD(T)/6-311+G(d,p)水平上进行单点能计算.计算结果表明,SiH3+O(3P)→IM1→TS3→IM2→TS8→HOSi+H2为主反应通道,其他可能存在的次要产物有HSiOH+H、H2SiO+H和HSiO+H2.HOSi、HSiO和HSiOH(cis)还可能进一步解离生成SiO.另外,计算结果对SiH4+O(3P)反应机理中存在的争议给出了可能的解释,认为Withnall等人在实验中观察到的产物HSiOH、H2SiO和SiO并不是SiH4+O(3P)反应的直接产物,而是来自副反应SiH3+O(3P).     

AC等离子体辅助CH4低温氧化的分子激发作用

本文采用实验测量和数值模拟结合的方法,对AC放电下He/CH4/O2混合气中激发态对甲烷裂解和低温氧化的动力学贡献进行研究。基于HP-Mech,增加反应物的放电机理以及激发态参与的化学反应及其驰豫反应,建立CH4低温氧化机理。采用化学反应动力学求解器CHEMKIN中的两段式Plasma-PSR模型模拟放电过程及化学反应过程。该动力学模型能较好地预测反应物的消耗和主要产物的生成,反应路径分析表明激发态物质CH4(v),O2(v),O2(a^1△g)等通过链式反应CH4(v)+OH→CH3+H2O,O2(v)+H→OH+O,O2(a^1△g)+H→OH+O促进活性自由基和产物的生成。     

大爆炸核合成相关的8Li(d,p)9Li反应截面测量

利用8Li次级束测量了质心系能量7.8 MeV2H(8Li, 9Li)1H反应的角分布，导出了8Li(d, p)9Li反应的天体物理S因子及9Li→8Li+n虚衰变的渐近归一化系数. We have measured the angular distribution of 2H(8Li,9Li)1H at Ecm= 7.8 MeV and deduced the astrophysical S factor of 8Li(d, p)9Li reaction as well as the Asymptotic Normalization Coefficient (ANC) for 9Li → 8Li+n virtual decay.     

NaLuF4∶Yb3+,Er3+微米晶的制备及上转换发光

采用EDTA辅助法合成了NaLuF4∶Yb3+,Er3+微米晶,用X射线粉末衍射(XRD)对样品的结构进行了表征。XRD分析表明样品NaLuF4为六角相。研究了初始反应溶液的pH值对NaLuF4∶Yb3+,Er3+微米晶的组分、形貌和荧光性质的影响。在980 nm光激发下,观察到了4G11/2→4I15/2、2H9/2→4I15/2、2H11/2→4I15/2、4S3/2→4I15/2和4F9/2→4I15/2发射,荧光强度比I(2H11/2/4S3/2→4I15/2)/I(4F9/2→4I15/2)和I(4G11/2/2H9/2→4I15/2)/I(2H11/2/4S3/2→4I15/2)随着pH值的变化而变化。研究了样品的上转换发光机制。     

E_p≤3GeV质子入射铅、铋引起的中子产生双微分截面的模拟(英文)

加速器驱动次临界系统(ADS)液态Pb-Bi散裂靶的设计中,需要可靠的理论计算工具精确地预言几个GeV能量范围的质子引起的散裂反应产生的各种粒子和核素。利用蒙特卡罗模拟软件包Geant4计算研究了800 MeV至3 GeV质子入射铅、铋材料引起的中子产生双微分截面。比较了Geant4不同物理模型得到的模拟结果与现有的实验数据。其中,Geant4的QGSP BERT和QGSP INCL ABLA物理模型模拟结果很好地再现了实验数据。本工作证实了Geant4蒙特卡罗模拟软件包适合用于能量高达3 GeV的质子入射铅、铋引起的中子产生双微分截面的模拟计算。     

Cu(Ι)催化合成六氢氮类杂卓衍生物反应机理的研究

采用密度泛函理论(DFT)中的B3LYP方法,研究了Cu(I)催化六氢氮杂卓衍生物偶联反应的微观反应机理。在6-31+G(d)的水平下,对反应路径中的所有反应物、中间物、过渡态和产物进行了构型优化,通过振动频率分析及内禀反应坐标(IRC)计算对过渡态进行了验证,应用自然键轨道理论(NBO)和分子中的原子理论(AIM)分析了这些物质的轨道间相互作用及成键特征。报道了可能的反应通道CuI+R1+R2→IM2→TS1→IM3→TS2→IM4→IM5→TS3→IM6→TS4→IM7→P1→P1 +IM8→IM9a→TS5a→IM10a→TS6a→IM11a→IM12→TS7→IM13→TS8→IM14→TS9→IM15→P2活化能相对较低,是主要的反应通道。同时对比研究了在没有Cu(Ι)催化剂时,反应的活化能为199.01kJ/mol,而在Cu(Ι)催化下,反应活化能为176.94kJ/mol,说明了Cu(Ι)催化剂促进了反应的进行。     

Study of the Involvement of <Superscript>8</Superscript>Be and <Superscript>9</Superscript>B Nuclei in the Dissociation of Relativistic <Superscript>10</Superscript>C, <Superscript>10</Superscript>B,and <Superscript>12</Superscript>C Nuclei

The results obtained by estimating the contribution of 8Be and 9B nuclei to the coherent dissociation of ¹⁰C, ¹⁰B, and ¹²C relativistic nuclei in nuclear track emulsions (“white” stars) are presented. The selection of white stars accompanied by 9B leads to a distinct peak appearing in the distribution of the excitation energy of 2α2p ensembles and having a maximum at 4.1 ± 0.3 MeV. A 8Be nucleus manifests itself in the coherent-dissociation reaction ¹⁰B → ²He + H with a probability of (25 ± 5)%, (14 ± 3)% of it being due to 9B decays. The ratio of the branching fractions of the ⁹B + n and ⁹Be + p mirror channels is estimated at 6 ± 1. An analysis of the relativistic dissociation of ¹²C nuclei in a nuclear track emulsion revealed nine 3α events corresponding to the Hoyle state.     

Total reaction and transfer cross sections for 11B + 9Be and 13C + 9Be reactions at low energies

The total reaction cross sections for ¹¹B + ⁹Be and ¹³C + ⁹Be have been measured by the total γ-ray yield method over the energy intervals E_c.m. = 1.4–4.4 MeV and E_c.m. = 2.0–5.2 MeV, respectively. The cross sections for the neutron transfer reactions ¹¹B(⁹Be, ⁸Be)¹²B, leading to the ¹²B 0.953 and 1.674 MeV states, and ¹³C(⁹Be, ⁸Be)¹⁴C, leading to the ¹⁴C 6.094, 6.728 and 6.902 MeV states, have been obtained from the yields of the characteristic γ-rays. The α-transfer reaction ¹¹B(⁹Be, ⁵He)¹⁵N, leading to many unresolved ¹⁵N states, has been observed with large cross section. There is, however, no evidence for the ¹³C(⁹Be, ⁵He)¹⁷O transfer process in the ¹⁷O + nα channels. This different behaviour of the ¹¹B + ⁹Be and ¹³C + ⁹Be systems seems to indicate that the α-transfer reaction at sub-barrier energies is not a direct transfer process, and that it probably occurs via molecular state formation.     

能量修正的Glauber模型对中能反应总截面的影响

叙述了对Glauber模型中的透射系数进行半经验的能量修正,并利用该修正模型计算了^12—14C,⁶Li,⁷Be,⁸B+¹²C和⁶Li,⁷Be,⁸B+⁹Be以及²⁰Ne+¹²C,¹²C+²⁷Al等系统的激发函数(能区范围10—1000MeV/u),经与实验值比较,能量修正的Glauber理论计算值能够很好地描述中能条件下的反应总截面实验测量值.     

Extraction of Astrophysical Cross Sectionsin the Trojan-Horse Method

 The Trojan-horse method has been proposed to extract S-matrix elements of a two-body reaction at astrophysical energies from a related reaction with three particles in the final state. This should be useful in cases where the direct measurement of the two-body reaction at the necessary low energies is experimentally difficult. The formalism of the Trojan-horse method for nuclear reactions is developed in detail from basic scattering theory including spin degrees of freedom of the nuclei and we specify the necessary approximations. The energy dependence of the three-body reaction is determined by characteristic functions that represent the theoretical ingredients for the method. In a plane-wave Born approximation of the T-matrix the differential cross section assumes a simple structure. Received August 31, 1999; revised June 14, 2000; accepted for publication June 30, 2000     

Comparison of 7Li , 7Be + 9Be elastic scattering in the coupled-reaction-channels approach

The data for the ⁷Li + ⁹Be and ⁷Be + ⁹Be elastic scattering at the energies E _lab(⁷Li) = 15.75 , 24, 30, 34, 63 and 130MeV and E _lab(⁷Be) = 17 , 19 and 21MeV were analyzed within the optical model and coupled-reaction-channels method. The elastic and inelastic scattering, reorientation of ⁷Li , ⁷Be and ⁹Be as well as most important transfer reactions were included in the coupled-channels scheme. The resulting ⁷Li and ⁷Be potentials are very similar and have the same energy dependence. The real potential for recently derived ⁸Be + ⁹Be scattering potentials is very similar to that for ⁷Li , ⁷Be but the imaginary part of the ⁸Be one has a much greater strength at longer range.     

Mechanism of the 12C(11B,15N)8Be reaction and 8Be + 15N optical-model potential

Angular distributions of the ¹²C( ¹¹B, ¹⁵N) ⁸Be reaction were measured at the energy E_lab(¹¹B) = 49 MeV for the transitions to the ground and 2.94 MeV (2⁺) excited state of ⁸Be and to the ground and 5.270 MeV (5/2⁺) + 5.299 MeV (1/2⁺), 6.324 MeV (3/2^-), 7.155 MeV (5/2⁺) + 7.301 MeV (3/2⁺), 7.567 MeV (7/2⁺) excited states of ¹⁵N. The data were analyzed by the coupled-reaction-channel method. The elastic, inelastic scattering and one- and two-step transfers were included in the coupling scheme. The data of the ¹²C( ¹¹B, ⁸Be) ¹⁵N reaction at E_cm = 9.4-17.8 MeV known from the literature, were also included in the analysis. The mechanism of the ¹²C( ¹¹B, ¹⁵N) ⁸Be reaction and the optical-model potential parameters for the ¹⁵N + ⁸Be channel were deduced. The energy dependence of the optical-model parameters for the ¹⁵N + ⁸Be channel was obtained.     

9Be + 12C, 9Be + 16O,9Be + 19F reactions at energies below the barrier

The ¹⁶O + ⁹Be reactions have been studied from E_c.m. = 2.0 MeV to 5.1 MeV, an energy near the top of the Coulomb barrier. The cross section for the neutron transfer reaction ⁹Be(¹⁶O,¹⁷O¹ (0.87 MeV))⁸Be has been measured over this range by detecting the prompt 0.87 MeV γ-rays. The total fusion cross section has been determined from E_c.m. = 2.8 to 5.1 MeV by observing individual γ-ray transitions in the evaporation residues with a Ge(Li) detector, and then summing the separate yields. Direct processes are found to dominate the reaction yield below E_c.m. = 4 MeV. A comparison of the energy dependence of the fusion cross section for this reaction and the ¹²C + ¹³C reaction, which proceeds via the formation of the same compound nucleus, ²⁵Mg, reveals differences at sub-barrier energies. Optical model and incoming-wave boundary condition calculations are presented. Data have also been obtained for the near optimum Q-value neutron-transfer reactions ⁹Be(¹²C, ¹³C¹)⁸Be and ⁹Be(¹⁹F, ²⁰F)⁸Be, and these are discussed in terms of a simple model of sub-barrier direct reactions.     

Features of the 9Be → 2He fragmentation in an emulsion for an energy of 1.2 GeV per nucleon

The results of investigation of the fragmentation of relativistic nuclei ⁹Be in an emulsion, which is accompanied by the formation of two 1.2-A-GeV He fragments, are presented. The angular measurements of the ⁹Be → 2He events are analyzed. The ⁹Be → ⁸Be + n fragmentation channel with the decay of ⁸Be from the ground (0⁺) and first excited (2⁺) states into a pair of α particles appears to be dominant.     

Studying the reactions of deuteron interaction with <Superscript>9</Superscript>Be nuclei at low energies

Data on elastic and inelastic scattering, and the reactions of few-nucleon transfers in the interaction between the nuclei of deuteron and ⁹Be at energies of around 10 MeV/nucleon, are analyzed. A theoretical analysis is performed using the double-folding potential model with the wave function of the ground state of the ⁹Be nucleus, constructed in the three-cluster α + α + n-approximation. Calculations of the cross section of elastic scattering for the reaction d + ⁹Be using the calculated folding potential are preformed using the optical model. The resulting optical potential is used to analyze cross sections of transfer reactions and inelastic scattering in the context of the distorted waves method. A comparative analysis of the experimental data and theoretical calculations is performed.     

Fusion reactions around the barrier for Be+~(238)U

Fusion-evaporation cross sections of ~(238)U (~9Be,5n)~(242)Cm are measured over a wide energy range around the Coulomb barrier.These measured cross sections are compared with model calculations using two codes,namely HIVAP2 and KEWPIE2.HIVAP2 calculations overestimate the measured fusion-evaporation cross sections by a factor of approximately 3.In KEWPIE2 calculations,two approaches,namely the Wentzel-Kramers-Brillouin(WKB) approximation and the empirical barrier-distribution (EBD) method,are used for the capture probability;both of them properly describe the measured cross sections.Additionally,fusion cross sections of ~(7,9)Be+~(238)U measured in two experiments are applied to constrain model calculations further through three codes,i.e.,HIVAP2,KEWPIE2,and CCFULL.Parameters in these codes are also examined by comparison with measured fusion cross sections.All the comparisons indicate that the KEWPIE2 calculations using the WKB approximation agree well with the measured cross sections of both fusion reactions ~(7,9)Be+~(238)U and the fusion-evaporation reaction ~(238)U (~9Be,5n)~(242)Cm.Calculations using the fusion code CCFULL are also in good agreement with the measured fusion cross sections of ~(7,9)Be+~(238)U.