渐进非对称陀螺分子16O3及同位素16O18O16O的配分函数研究

采用乘积近似法计算了臭氧分子16O3及其同位素16O18O16O在20-6000 K温度范围内的总配分函数。其中转动配分函数用Watson的刚性转子模型,振动配分函数用谐振子模型．总的温度范围被划分为五个温度段。计算的配分函数在这五个温度段分别被拟合到一个温度T的五阶多项式,从而在每个温度段均得到六个拟合系数。由这些拟合系数就可以快速、准确的获得分子在所研究温度范围内任意温度的总配分函数。研究结果为目标特性识别、气动物理的高超声速技术等领域的研究提供了重要的参考信息。     

臭氧分子同位素16O18O16O的高温光谱研究

在直接计算分子配分函数的基础上,将无转动跃迁偶极矩平方近似为一常数,计算了非对称陀螺臭氧分子同位素16O18O16O 001-000跃迁在中等温度和高温下的线强度.计算结果在1000 K时与HITRAN数据库的结果吻合相当好.在温度高达3000 K时与HITRAN数据库的结果仍符合较好(最大百分误差为5.48%),表明分子配分函数和线强度的高温计算是可靠的.在此基础上,进一步计算了非对称陀螺分子16O18O16O 001-000跃迁带在极端高温4000和5000 K的线强度并报道其模拟光谱.计算结果对大气分子高温光谱的实验测量和理论研究均有一定的参考价值.     

Photoproduction of π+ p-pairs on the 16O nucleus and isobar configurations

The yield of the ¹⁶O(γ, π⁺ p) reaction has been measured in the region of the excitation of the Δ(1232) isobar at high momentum transfers to the residual nuclear system. The experimental data are interpreted within the model taking into account manifestations of isobar configurations in the ground state of the ¹⁶O nucleus. Direct and exchange mechanisms of the production of pions with emission of one and two nucleons, which follow from the structures of the density matrices for these reactions, have been considered. The probability of the production of the Δ-isobar in the ground state of the ¹⁶O nucleus has been empirically estimated as P _Δ = 0.019 ± 0.003 ± 0.003.     

The λN interaction and structures of the16–18O hypernuclei

The shell model without the nuclear centre-of-mass spuriosity is applied to ^16,17,18O isotopes, predicting the bunched and dense hypernuclear energy levels. The (K^–, ^–) reaction cross sections are calculated at several angles with the =0° ones being in good agreement with the experimental data on ¹⁶O and ¹⁸O. The realistic N effective interaction derived on the basis of the Nijmegen Model-D is employed and the N J=0⁺ pairing correlation is found to be repulsive, which is reflected in the¹⁸O(K^–,^–) ¹⁸O excitation function.Presented at the symposium Mesons and Light Nuclei, Bechyn, Czechoslovakia, May 27–June 1, 1985.The author is thankful to Professor H. Bando. Professor Y. Yamamoto and Professor H. Ikeda for collaboration and useful discussion.     

张量力在16O+16O熔合动力学中的效应（英文）

利用时间相关Hartree-Fock 理论和完整Skyrme 有效相互作用研究了16O+16O 碰撞在库仑位垒附近的熔合动力学。数值计算是在没有任何对称性约束的三维笛卡尔基下完成。将时间相关Hartree-Fock 理论和冻结密度近似下的能量密度泛函方法给出的库仑位垒与实验结果进行了比较,发现同位旋标量的张量项能降低自旋饱和体系16O+16O的库仑位垒,而库仑位垒高度随着同位旋矢量的张量项的耦合常数减小而降低。并计算了包含和不包含张量力的16O+16O熔合截面,发现张量力对16O+16O碰撞在库仑位垒附近的熔合动力学影响较小。The fusion dynamics of 16O+16O around Coulomb barrier has been studied in the timedependent Hartree-Fock (TDHF) theory with the full Skyrme effective interaction. The calculations have been carried out in three-dimensional Cartesian basis without any symmetry restrictions. We have included the full tensor force and all the time-odd terms in Skyrme energy density functional (EDF). The Coulomb barrier obtained from the dynamical TDHF calculations and EDF with frozen density approximation has been compared with the available experimental data. The isoscalar tensor terms and the rearrangement of other terms are found to decrease the barrier height in the spin-saturated system 16O+16O, while the energy of Coulomb barrier tends to decrease as the isovector coupling constant decreases. The fusion cross section for 16O+16O collision has been calculated with and without the tensor force. We found that the tensor force has minor effect on the fusion dynamics of 16O+16O at the energies around Coulomb barrier.     

Collisional-Broadened and Dicke-Narrowed Lineshapes of H(2)(16)O and H(2)(18)O Transitions at 1.39 µm

We present results of a study on the self-broadening and broadening by nitrogen and oxygen of H(2)(16)O and H(2)(18)O lines in the 1.39-μm wavelength region using a distributed feedback semiconductor diode laser. To estimate the broadening coefficients, the absorption lineshapes were analyzed using the ordinary Voigt profile which provided good fits for most of the investigated lines. The broadening coefficients were found to be larger for nitrogen used as a perturber than for oxygen. This agrees with the fact that the quadrupole moment of N(2) is larger than that of O(2). Nevertheless, for lines involving high-rotational quantum number J, relatively smaller broadening coefficients were found and deviations of the measured profiles from the standard Voigt profile were observed. These deviations were ascribed as caused by Dicke-narrowing effect. Corresponding to this effect, collisional-broadening and narrowing coefficients were determined using the Nelkin-Ghatak profile which is suitable for the "hard"-collision model. The optical diffusion coefficients of the water in both nitrogen and oxygen gases were determined from the measurements of the collisional-narrowing coefficients. Copyright 2001 Academic Press.     

Temperature dependence of nitrogen and oxygen broadening of the 16O3 ν 3 band

High-resolution Fourier transform absorption spectra of ozone broadened by N₂ and O₂ have been recorded at room temperature and at 225 K. Nitrogen- and oxygen-broadened half-widths and their temperature dependence for respectively 160 ro-vibrational transitions on the ¹⁶O₃ ν ₃ band with a wide range of rotational quantum numbers J (2–48) and K_a (0–8) have been determined.     

张量力在~(16)O+~(16)O熔合动力学中的效应

利用时间相关Hartree-Fock理论和完整Skyrme有效相互作用研究了~(16)O+~(16)O碰撞在库仑位垒附近的熔合动力学。数值计算是在没有任何对称性约束的三维笛卡尔基下完成。将时间相关Hartree-Fock理论和冻结密度近似下的能量密度泛函方法给出的库仑位垒与实验结果进行了比较,发现同位旋标量的张量项能降低自旋饱和体系~(16)O+~(16)O的库仑位垒,而库仑位垒高度随着同位旋矢量的张量项的耦合常数减小而降低。并计算了包含和不包含张量力的~(16)O+~(16)O熔合截面,发现张量力对~(16)O+~(16)O碰撞在库仑位垒附近的熔合动力学影响较小。     

Collective Flows of ~(16)O+~(16)O Collisions with α-Clustering Configurations

The main purpose of the present work is to discuss whether or not the collective flows in heavy-ion collision at the Fermi energy can be taken as a tool to investigate the cluster configuration in light nuclei. In practice, within an extended quantum molecular dynamics model, four α-clustering(linear chain, kite, square and tetrahedron)configurations of 160 are employed in the initialization, ~(16)O+~(16)O around the Fermi energy(40-60 MeV/nucleon)with impact parameter 1-3 fm are simulated, and the directed and elliptic flows are analyzed. It is found that collective flows are influenced by the different α-clustering configurations, and the directed flow of free protons is more sensitive to the initial cluster configuration than the elliptic flow. Nuclear reaction at the Fermi energy can be taken as a useful way to study cluster configuration in light nuclei.     

First-principles study of two new boron nitride structures:C12-BN and O16-BN

Based on the first-principles method,we predict two new stable BN allotropes:C12-BN and O16-BN,which belong to cubic and orthorhombic crystal systems,respectively.It is confirmed that both the phases are thermally and dynamically stable.The results of molecular dynamics simulations suggest that both the BN phases are highly stable even at high temperatures of 1000 K.In the case of mechanical properties,C12-BN has a bulk modulus of 359 GPa and a hardness of 43.4 GPa,making it a novel superhard material with potential technological and industrial applications.Electronic band calculations reveal that both C12-BN and O16-BN are insulators with direct band gaps of 3.02 e V and 3.54 e V,respectively.The XRD spectra of C12-BN and O16-BN are also simulated to provide more information for possible experimental observation.Our findings enrich the BN allotrope family and are expected to stimulate further experimental interest.     

16O nucleus in the 4α cluster model

The ¹⁶O nucleus is treated as a bound state of the four-alpha-particle system showing 3α + α clustering. The pair interaction of the alpha particles involved is simulated by a phenomenological potential. Additional three-particle potentials are introduced in order that the entire system and its three-particle subsystems be bound. The parameters of these potentials are determined by fitting the experimental values of the binding energies and the root-mean-square radii of the ¹²C and ¹⁶O nuclei. The calculations are performed on the basis of the s-wave differential equations for the Faddeev and Yakubovsky components. The ground and the first excited state of the ¹⁶O nucleus are investigated. The most probable spatial arrangement of the alpha-particle clusters in the system is determined. The charge form factors are calculated for the ¹²C and ¹⁶O nuclei. The results of our model calculations comply well with experimental data.     

Fragmentation of ^16O nuclei in nuclear emulsion

We present the topology of 16O fragmentation at 60A GeV in reactions with emulsion nuclei.We discuss the multiplicity distributions of projectile fragments.charged secondaries and their dependence on the target residues.     

Detection and analysis of four new bands in CRDS 16O3 spectra between 7300 and 7600 cm−1

The absorption spectrum of the ¹⁶O₃ isotopologue of ozone was recorded in the 7000–7920 cm^?1 region by using high sensitivity CW-Cavity Ring Down Spectroscopy (α_min ～ 10^?10 cm^?1). This report is devoted to the analysis of the 7300–7600 cm^?1 region dominated by four A-type bands: 6ν₁ + ν₃ centred around 7395 cm^?1, 3ν₁ + 5ν₂ + ν₃ and 2ν₁ + 4ν₂ + 3ν₃ lying in the 7450 cm^?1 region and 5ν₁ + 2ν₂ + ν₃ centred around 7579 cm^?1. 213 transitions of the 6ν₁ + ν₃ band were assigned and the corresponding line positions were modeled using an effective Hamiltonian including a Coriolis resonance interaction between the (601) upper state and a A-type dark state. The two very close 3ν₁ + 5ν₂ + ν₃ and 2ν₁ + 4ν₂ + 3ν₃ bands were analysed using a similar effective Hamiltonian scheme involving the anharmonic resonance coupling between the (351) and (243) states. For these two bands, 304 transitions were assigned. The modelling also includes a first Coriolis resonance interaction between the (351) bright state and the (530) dark state, and a second one between the (243) bright state and the (144) dark state. In the 7579 cm^?1 region, 205 transitions of the 5ν₁ + 2ν₂ + ν₃ band were assigned and modelled taking into account the Coriolis resonance interactions between the (521) upper state and the (700), (342) and (280) dark states.The dipole transition moment parameters of the four analysed bands were determined by a least-squares fit to the measured line intensities. For the studied band systems, the effective Hamiltonian and transition moment operator parameters were used to generate line lists provided as Supplementary Materials.     

Correlations and the cross section of exclusive (e,e′p) reactions for 16O

The reduced cross section for exclusive (e, e′p) reactions has been studied in DWIA for the example of the nucleus ¹⁶O using a spectral function containing effects of correlations. The spectral function is evaluated directly for the finite nucleus starting from a realistic nucleon-nucleon interaction within the framework of the Green's function approach. The emphasis is focused on the correlations induced by excitation modes at low energies described within a model-space of shell-model configurations including states up to the sdg shell. Cross sections for the p-wave quasi-hole transitions at low missing energies are presented and compared with the most recent experimental data. In the case of the so-called perpendicular kinematics the reduced cross section derived in DWIA shows an enhancement at high missing momenta as compared to the PWIA result. Furthermore the cross sections for the s- and d-wave quasi-hole transitions are presented and compared to available data at low missing momenta. Also in these cases, which cannot be described in a model without correlations, a good agreement with the experiment is obtained.     

The N = 16 Spherical Shell Closure in 24O

The unbound excited states of the most neutron-rich dripline oxygen isotope, ²⁴O, have been investigated by using the ²⁴O(p,p′)²⁴O^* reaction at the beam energy of 62 MeV/nucleon in inverse kinematics. The first and second unbound excited states of ²⁴O have been observed at ${E_{\rm x}= 4.63_{-0.14}^{+0.30}}$  MeV and ${E_{\rm x}= 5.13_{-0.24}^{+0.19}}$  MeV (preliminary) along with the evidence for another higher lying state at around 7.3 MeV. The quadrupole deformation parameter ${\beta_{2^+}}$ was deduced to be ${0.15_{-0.03}^{+0.08}}$ (preliminary) for the first time. The systematics of the ${\beta_{2^+}}$ and the ${E_{\rm x}(2_1^+)}$ in the Z = 8 isotopes shows the N = 16 spherical shell closure in ²⁴O.     

中子诱发16O双微分截面的理论分析

应用已经发展的轻核反应新模型理论,计算和分析了中子诱发^16O反应截面,比较和分析了出射中子双微分截面的理论计算结果和实验数据,从理论计算结果与实验的符合情况看,这一理论和方法对于计算轻核的双微分截面是成功的。     

Linear chain structure of four-α clusters in 16O

We investigate the linear chain configurations of four-α clusters in 16O using a Skyrme cranked Hartree-Fock method and discuss the relationship between the stability of such states and angular momentum. We show the existence of a region of angular momentum (13-18?) where the linear chain configuration is stabilized. For the first time we demonstrate that stable exotic states with a large moment of inertia (?2/2Θ～0.06-0.08 MeV) can exist.     

Further Analysis of Neutron Double-Differential Cross Section of n ＋ ^16O at 14.1 MeV and 18 MeV

By using a new reaction model for light nuclei, the double-differential cross section of total outgoing neutron with LUNF code for n＋^16O reactions at En=14.1 MeV and 18 MeV have been calculated and analyzed. In this paper the opened reaction channels, which have contribution to emitting the neutrons, are listed in detail. To improve the fitting results the direct inelastic scattering mechanism is involved. The calculating results agree fairly well with the experimental data at E,~ = 14.1 MeV and the deviation from calculated results and experimental data in low energy region at En= 18 MeV has been analyzed. Since the possibility of 5He has been affirmed theoretically [J.S. Zhang, Sci. Chin. G 47 （2004） 137], so 5He emission from n＋ ^16O reaction is taken into account, which plays an important role at the region of the outgoing neutron energy εn〈3 MeV in total outgoing neutron energy-angular spectrum. The calculated results indicate that the pre-equilibrium mechanism dominates the whole reaction processes, and the recoil effect in light nuclear reactions is essentially important.     

Dynamics and Cycle of Interstellar H2O and OH Masers

We present an improved radiative pumping model for interstellar H2O and OH masers.This oversomes the defects of former radiative models,and is compatible with astronomical conditions.For the regions of strong H2O and OH formation,it is shown that the rotational population is affected by collisions less than by radiation.A reasonable scheme for both regeneration and destruction of interstellar H2O and OH molecules is investigated.It can close the dynamical cycle of interstellar H2O and OH species,and can give an appropriate interpretation for both interstellar H2O and OH masers.This model has been confirmed by experiments.     

17O12C17O and 18O12C17O spectroscopy in the 1.6 μm region

Near infrared spectra of a carbon dioxide sample enriched with oxygen-17 have been recorded using a high-resolution continuous scan Fourier transform interferometer fitted with a femto OPO/Idler laser source. Cavity enhanced absorption has been achieved in a static gas cell allowing an optimal rms noise equivalent absorption of 1.2?×?10^?10?cm^?1?Hz^?1/2 per spectral element to be reached, corresponding to α_min?=?10^?8?cm^?1. Spectra were calibrated against acetylene reference line positions. Three bands in the 3ν₁?+?ν₃ tetrad in both ¹²C¹⁷O₂ and ¹²C¹⁷O¹⁸O have been identified and rotationally analyzed, as well as some related hot bands, eight of which are newly reported and three with their analysis updated compared with a preliminary report (X. de Ghellinck d’Elseghem Vaernewijck et al., Chem. Phys. Lett. 514, 29 (2011)).