Dynamics of liquid ammonia from cold neutron scattering

The scattering of 4.1 Å neutrons by liquid ammonia has been measured at 218 K in the angular range of 30–90° using the Trombay rotating crystal spectrometer. The experimental data, after correcting for multiple scattering, have been compared with model calculations, and it is shown that it is possible to get detailed information about the rotational correlation function on the basis of neutron experiments alone. The model assumes Langevin diffusion for translational motions. Rotational motions are described by means of an orientational correlation function which has a gaseous behaviour for times up toτ ₀ and then changes over to a diffusive character with a rotational diffusion constantD _r. Within the framework of the model the correlation function can be described withD _r=0.28×10¹³sec^?1 andτ ₀=0.57×10^?18sec. Corrections for multiple scattering and their dependence on model parameters are discussed.     

Rotationally inelastic,classical rigid shell scattering

Rotationally inelastic atom-diatom collisions at wide angles and energies large compared to the attractive potential well depth are approximately described by classical scattering of structureless particles and rigid rotor molecules interacting by a rigid potential shell ofC _∞υ symmetry. The double differential cross section for deflection and rotational energy transfer isanalytically related to the geometry of the shell. In continuation of previous work the influence of molecular rotation before collision is considered. It is found: The conspicuous structure of bulge scattering or orientational rainbows in this cross section persists, but is modified by initial rotation. The modifications are angle dependent. The (classical) information of bulge scattering on the anisotropy of the potential is increasingly averaged out by higher initial rotation. In experiments exploiting this new probe to the anisotropy of the repulsive molecular interaction initial rotation should be kept as low as possible.     

Dynamical molecular disorder and diffuse scattering in an alkane/urea incommensurate inclusion compound

The diffraction pattern of n-alkane/urea inclusion compounds is known to contain a broad diffuse scattering related to the molecular form factor of the alkane species, indicating individual rotational and/or translational disorder of these molecules. Inelastic coherent neutron scattering reveals for the first time the entirely dynamical character of the alkane molecular disorder around room temperature. This observation fully agrees with a recent model of the coherent scattering cross section of totally uncorrelated motions. In the ordered phase this diffuse scattering remains, but elastic, and very low energy molecular vibrational modes are evidenced. These observations are discussed in relation with previous incoherent neutron scattering results. Received 9 February 2001 and Received in final form 1st August 2001     

Glory undulations in the total cross section for scattering of heavy rare gas atoms

In a supersonic molecular beam apparatus the velocity dependence of the total cross section for scattering of argon and krypton beams by argon, krypton and xenon has been measured for relative velocities ranging from 0.55 to 4.30 km · s^-1. For all these systems a number of glory extrema were well resolved. The measured cross sections are compared with cross sections calculated on the basis of recently proposed pair potentials. For the systems Ar-Ar, Kr-Kr and Ar-Kr the glory structure is fairly well described by the potentials, however, the energy dependence of the cross sections is not. The available potentials for the systems Ar-Xe and Kr-Xe describe the glory structure less accurately. Rather severe changes of the potentials will be required to obtain agreement with the total cross section data. A qualitative analysis of the required changes is presented.     

Streuung von 25 keV-Elektronen an Gasen

The differential cross section of neon, argon, krypton, and xenon for the elastic scattering and for the excitation of optical transitions has been measured. For neon and argon the elastic angular distribution can be described by the cross section calculated according toWentzel andLenz. For krypton and xenon there are considerable deviations from the Wentzel-Lenz cross section. In these cases it is better to calculate the elastic differential cross section from Slater eigenfunctions, from Thomas-Fermi-Dirac or from Hartree-Fock electron density distribution. The differential cross sections for the excitation of optical transitions, so far as measured here, obey for?<? _c the dipol approximation, i.e. for angles not to small the inverse square angular dependence is valid.? _c is higher for the heavier rare gases. The oscillator strengths for some transitions have been determined from the scattering measurements in satisfactory agreement with theoretical values.     

Weitere Messungen zur Anisotropie der intermolekularen Wechselwirkung durch Streuung von Molekülen in definiertem Quantenzustand

In a previous paper the anisotropy parameter of the attractive part of the intermolecular potential has been determined from total cross sections measured by scattering of TlF-molecules in selected rotational states by rare gases. In this series of papers, further measurements on the systems TlF-He, Ne, Ar, Xe, CH₄, and CsF-He, Ar will be described. In the case of CsF-He, it has been possible to determine the anisotropy parameter of the repulsive part of the potential additionally, by comparing cross sections related to different rotational states over a large velocity range and by using the high energy approximation. The determination of the anisotropy parameter for the repulsive potential requires knowledge of the parameters of the angle averaged potential. Part I describes the determination of these parameters for a Lennard-Jones-potential from measurements of the velocity dependence and the absolute value of the total cross section by scattering of not state selected CsF-molecules by He and Ar. Since these systems show no glory undulations in the experimentally accessible velocity range, they require an evaluation procedure, which is independent of the appearance of such undulations. The procedure described below only uses the velocity dependence of the cross section itself by fitting of quantum mechanically calculated cross sections. The finite resolving power of the apparatus and the influence of velocity distributions are taken into account. The results are communicated, the parallel evaluation of an experiment on K-Ar serves as a test for the procedure described.     

Elastic and inelastic scattering of nucleons from 16O

Measurements of differential elastic and inelastic cross sections for neutron scattering from ¹⁶O at incident energies 18 to 26 MeV are presented. In addition to cross sections for neutron scattering differential cross sections for proton scattering up to 66 MeV are described in terms of phenomenological optical model potentials. At 24.5 MeV incident energy inelastic scattering up to 11.5 MeV excitation was measured. The elastic and inelastic compound nucleus contributions were examined. Direct inelastic scattering from the normal parity states was calculated using the DWBA and coupled-channel formalisms. The inelastic scattering cross section from non-normal parity state 2⁻ was calculated using the coupled-channel formalism via multi-step processes. Cross sections due to inelastic scattering from some of the states, which are thought to be members of an excited state rotational band were calculated using both vibrational and rotational approaches and were compared.     

Capture of an atom by an argon cluster: Atomistic simulation

A molecular dynamics simulation of the collision of an argon atom with a neutral cluster Ar _n (n ≤ 400) in an equilibrium system at a temperature of T = 20–35 K has been performed using the classical trajectory method. It has been shown that the total capture cross section under these conditions exceeds the limiting value obtained in the hard-sphere model and approaches it very slowly with an increase in n and T. At the same time, the simulation results are in agreement with the Langevin capture cross section for an atom in the Gspann-Vollmar potential, particularly with allowance for the dependence of the capture probability on the collision rate.     

A neutron-diffraction study of liquid acetonitrile

Neutron-diffraction studies on liquid acetonitrile CD₃C¹⁵N at 20°C were carried out at neutron wavelengths of 0·5 Å and 0·7 Å. The data were corrected for background, absorption, multiple scattering and inelastic effects (Placzek correction) and then were normalized to absolute differential cross section by comparison with vanadium standard. The absolute coherent distinct differential cross section was separated into intermolecular and intramolecular contributions. From the latter the molecular structure in the liquid was determined.     

He-Na2体系低温下的冷碰撞研究

在已经拟合好的He-Na₂体系势能面上,根据原子-双原子分子的非反应性碰撞动力学的相关基本理论,在空间固定坐标系下,采用严格的密耦方法求解了He原子和Na₂分子的转动非弹性碰撞动力学方程.并对He-Na₂体系的微分散射截面、积分截面作了详细的分析,结果与实验符合得比较好.结果表明：（1）弹性散射（Δj=0）截面远大于非弹性截面;（2）较小Δj的跃迁主要产生前向散射,随着Δj的增加,后向散射的几率增加 关键词： 2体系')" href="#">He-Na₂体系 密耦方法 微分散射截面 积分截面     

Neutron scattering in argon and <Emphasis Type="Italic">ne</Emphasis> interaction

As a preparation for the new experiment to measure the ne scattering length a_ne the total neutron cross section of gaseous argon has been obtained by the time-of-flight method at the Dubna booster IBR-30 in the energy range from ～5 eV to ～30 keV. A combined one-level analysis of the newly obtained and other known data on cross sections of Ar and ³⁶Ar has made it possible to improve some neutron parameters and calculate the scattering cross section σ_s and the scattering length a separately for ³⁶Ar and ⁴⁰Ar at any energy.     

Raman and Rayleigh spectroscopy and molecular motions

Raman and Rayleigh scattering experiments on HCl, DCl, HBr and DBr molecules (pure liquid or isotopically diluted) have been carried out at room temperature. Results are discussed in the light of the existing theories on molecular motions in the liquid phase. The comparison of Rayleigh and Raman scattering results shows that reorientational processes are not sufficient to explain completely the profile of anisotropic Raman scattering. According to a recent theory due to Bratos, the rotational correlation function can be obtained only after elimination of the vibrational correlation function determined from the isotropic Raman scattering. In this last case broadening may arise from three causes: translational motion, resonance broadening and vibration-rotation coupling. A comparative study of the band profile of anisotropic Rayleigh and Raman scattering shows that the wings in both cases come from essentially the same origin while a band moment analysis is consistent with Gordon's theory according to which they are of reorientational origin.     

Schwingungsanregung von H2-Molekülen durch Zentralstoß mit Li+-Ionen

An apparatus is described for measuring the inelastic differential cross section for vibrational excitation in collisions of diatomic molecules with monoenergetic ions at laboratory energies between 10 and 50 eV. The method consists of measuring the time of flight of single ions with a time amplitude converter and displaying the results on a 100 channel pulse height analyzer. From the shift in the time of flight relative to that expected for elastic scattering the final state of the molecule excited in a single collision is identified. By studying only central collisions with almost zero impact parameter rotational excitation is strongly suppressed. Measured times of flight after collisions of monoenergetic Li⁺ ions with H₂ show that with increasing energy the most probable vibrational quantum jump increases from 0→1 to 0→2,0→3 etc. Contrary to the usual assumption of a small steric factor for vibrational excitation the results show that the inelastic cross section is larger than the elastic cross section. Using reported potential parameters the energy dependence of the most probable excited state is compared with the calculations of Secrest and Johnson for a one-dimensional collinear collision. The satisfactory agreement suggests that the steric factor is close to 1. From measurements at different scattering angles at 10 eV the integral inelastic cross section is found to be about 0.2 Ų corresponding to a differential cross section of 0.4 Ų/sr. Measured values of integral and differential total cross sections for Li⁺-He andLi⁺-H₂ are reported and compared with theory. Direct dissociation of D₂ by Li⁺ in the energy range from 25 to 55 eV was not observed, yielding an upper limit for the cross section of 4 · 10^?4 Ų/sr.     

Spin species conversion of rotational tunneling molecules studied by neutron transmission

The total proton spin of rotational tunneling molecules like CH₃, NH₃ or NH ₄ ⁺ groups has a strong influence on the total incoherent scattering cross section of long wavelength neutrons. At sufficiently low temperatures, a change in neutron scattering cross section after a rapid change in lattice temperature is the unequivocal signature of spin species conversion. This effect is used to study the time and temperature dependence of spin conversion. In a simple transmission experiment, we have screened 30 candidate substances of which 13 did not convert on a timescale of days. The other 17 converted: 10 contain paramagnetic ions and their spin temperature follows quasi instantaneously the lattice temperature. Seven substances convert slowly on a time scale of hours. Experimental results are presented and the advantages and limitations of the method are discussed.     

Collisional broadening of infra-red absorption lines

The Lorentz half-widths of collision-broadened lines in the rotation-vibration bands of diatomic molecules vary with line number |m| in the P and R branches. The observed variation of half-width for lines in the 0 → 1 and 0 → 2 bands of CO and HCl are interpreted in terms of a simple fitting procedure. One dominant source of line broadening is assumed to consist of diabatic hard collisions involving transitions from each rotational level to all higher rotational levels; the effectiveness of this process, which varies from line to line, is described in terms of an empirically adjusted collision cross section, a maximum collision parameter related to independently measured molecular properties, and upon the availability of the required energy and angular momentum in molecular collisions. The second source of line broadening, assumed to be the same for all lines, includes all other types of collisions and is represented by a single empirically adjusted cross section. The simple fitting procedure is applied successfully to self-broadening of CO lines and to foreign-gas broadening of CO and HCl; for HCl self-broadening an additional cross section for resonant-dipole processes must be included. Possible applications of the fitting procedure to HBr, HF, and CO₂ are discussed. The simple procedure presented represents an approximation that may prove useful pending the development of readily applicable complete theories based on first principles.     

Electron-cluster interactions

Beam depletion spectroscopy has been used to measure absolute total inelastic electron-sodium cluster collision cross sections in the energy range fromE0.1 toE6 eV. The investigation focused on the closed shell clusters Na₈, Na₂₀, and Na₄₀. The measured cross sections show an increase for the lowest collision energies where electron attachment is the primary scattering channel. The electron attachment cross section can be understood in terms of Langevin scattering, connecting this measurement with the polarizability of the cluster. For energies above the dissociation energy the measured electron-cluster cross section is energy independent, thus defining an electron-cluster interaction range. This interaction range increases with the cluster size.     

Molekularstrahlmessungen von Stoßquerschnitten für Übergänge zwischen definierten Rotationszuständen zwei-atomiger Moleküle

Inelastic collision cross sections for transitions between specified rotational states designated by (J, M) have been measured in a molecular beam apparatus. With an electrostatic four pole field molecules in a specified rotational state are separated out of a molecular beam and focussed into a gas filled scattering chamber. Molecules which have been scattered by less than 1/2° are then collected in a second four pole field, located directly behind the scattering chamber, and are analyzed for their rotational state. From a comparison of the measured pressure dependence with calculated curves a determination of inelastic collision cross sections for specified quantum jumps is possible. Measured inelastic scattering cross sections for the transitions (2,0→3,0) are reported for the gases He, Ne, Ar, Kr, CH₄, SF₆, H₂, O₂, Air, N₂O, H₂O, CF₂Cl₂. The values range between about 5 and 100 Ų in the order indicated. The scattering gases NH₃ und ND₃ yielded larger cross sections of about 600 Ų and, in addition, the transitions (3,0)→(2,0),(1,0)→(2,0), (2,0)→(1,0) and (3,0)→(1,0) were observed. Total cross sections for the same gases were also measured with the apparatus.     

Ultrasonic scattering cross sections of shell-encapsulated gas bubbles immersed in a viscoelastic liquid: first and second harmonics

The oscillations of gas bubbles, without shell, immersed in viscoelastic liquids and driven by an acoustic wave have been the subject of several investigations. They demonstrate that the viscosity coefficient and the spring constant of the liquid have significant influence on the scattering cross section of the gas bubble. For shell-encapsulated gas bubbles, the investigations have been concentrated to bubbles immersed in a pure viscous liquid. This present work computes the ultrasonic scattering cross section, first and second harmonics, of shell-encapsulated gas bubbles immersed in a viscoelastic liquid. The theoretical model of the bubble oscillation is based on the generalized Rayleigh-Plesset equation of motion of a spherical cavity immersed in a viscoelastic liquid represented by a three-parameter linear Oldroyd model. The scattering cross section is computed for Albunex type of bubble (shell thickness=15 nm, shell shear viscosity=1.77 Pas, shell modulus of rigidity=88.8 MPa) irradiated by a 3.5 MHz ultrasonic pressure wave with an amplitude of 30 kPa. The results demonstrate that encapsulated bubbles respond independently of the surrounding liquid being pure viscous or viscoelastic as long as the surrounding liquid shear viscosity is as low as 10(-3) Pas. Nevertheless, for higher shear viscosities, the bubble responds differently if the surrounding liquid is pure viscous or viscoelastic. In general, the scattering cross sections of first and second harmonics are larger for the viscoelastic liquid.     

Absorption cross section in the topologically massive gravity at the critical point

The absorption cross section for the warped AdS₃ black hole background shows that it is larger than the area even if the s-wave limit is considered. It raises some question whether the deviation from the areal cross section is due to the warped configuration of the geometry or the rotating coordinate system, where these two effects are mixed up in the warped AdS₃ black hole. So, we study the low-frequency scattering dynamics of propagating scalar fields under the warped AdS₃ background at the critical point which reduces to the BTZ black hole in the rotating frame without the warped factor, which shows that the deformation effect at the critical point does not appear.     

Cold heteronuclear atom-ion collisions

We study cold heteronuclear atom-ion collisions by immersing a trapped single ion into an ultracold atomic cloud. Using ultracold atoms as reaction targets, our measurement is sensitive to elastic collisions with extremely small energy transfer. The observed energy-dependent elastic atom-ion scattering rate deviates significantly from the prediction of Langevin but is in full agreement with the quantum mechanical cross section. Additionally, we characterize inelastic collisions leading to chemical reactions at the single particle level and measure the energy-dependent reaction rate constants. The reaction products are identified by in-trap mass spectrometry, revealing the branching ratio between radiative and nonradiative charge exchange processes.