Luminescence in collisions of low-energy ions with graphite and Al<Subscript>2</Subscript>O<Subscript>3</Subscript>

Excitation of H⁺, H₂ ⁺, H₃ ⁺, He⁺, and Ar⁺ ions by impact on graphite and Al₂O₃ was investigated by means of emission spectroscopy in the 50–1000 eV energy range of the projectiles. Emission of Balmer series from excited neutral hydrogen is observed for both targets. In addition, for the Al₂O₃ target a continuum emission is observed. The continuum probably originates from excited M_nO_m molecules produced in the collision cascade, when surface atoms bound by ionic bonds are released after the bond breaking caused by neutralization. The spectra obtained under Ar⁺ -bombardment show Ar II lines emitted by backscattered ions.     

1,4-二氧六环的真空紫外同步辐射光解离电离研究

The photoionization and photodissociation of 1,4-dioxane have been investigated with a reflectron time-of-flight photoionization mass spectrometry and a tunable vacuum ultraviolet synchrotron radiation in the energy region of 8.0-15.5 eV. Parent ion and fragment ions at m/z 88, 87, 58, 57, 45, 44, 43, 41, 31, 30, 29, 28 and 15 are detected under supersonic conditions. The ionization energy of DX as well as the appearance energies of its fragment ions C₄H₇O₂⁺, C₃H₆O⁺, C₃H₅O⁺, C₂H₅O⁺, C₂H₄O⁺, C₂H₃O⁺, C₃H₅⁺, CH₃O⁺, C₂H₆⁺, C₂H₅⁺/CHO⁺, C₂H₄⁺ and CH₃⁺ was determined from their photoionization efficiency curves. The optimized structures for the neutrals, cations, transition states and intermediates related to photodissociation of DX are characterized at the B3LYP/6-31+G(d,p) level and their energies are obtained by G3B3 method. Possible dissociative channels of the DX are proposed based on comparison of experimental AE values and theoretical predicted ones. Intramolecular hydrogen migrations are found to be the dominant processes in most of the fragmentation pathways of 1,4-dioxane.     

Theoretical study of charge-exchange and excitation processes in collisions of He<Superscript>+</Superscript> ions with C<Superscript>5+</Superscript>, N<Superscript>6+</Superscript>, and O<Superscript>7+</Superscript> hydrogen-like ions

Data on the cross sections for single-electron charge exchange and excitation in collisions of He⁺ ions with C⁵⁺, N⁶⁺, and O⁷⁺ ions in the He⁺ ion energy range of 0.2–3.0 MeV are obtained for the first time. The cross sections for the single-electron charge transfer into the singlet and triplet 1snl states of C⁴⁺, N⁵⁺, and O⁶⁺ (2≤n≤5) ions and for the 1s → 2p _{0, ±1} electronic excitation of He⁺(1s) ions are calculated. The calculations were performed by solving close-coupling equations on the basis of ten two-electron quasi-molecular states.     

Dissociative photoionization of l-menthone: An experimental and theoretical study

The dissociative photoionization mechanism of l-menthone has been investigated with photoionization mass spectrometry using synchrotron radiation. The adiabatic ionization energy (IE) of l-menthone and the appearance energies (AE) of its major fragment ions C₉H₁₅O⁺, C₉H₁₇⁺, C₈H₁₆⁺, C₇H₁₁O⁺, C₆H₁₀O⁺, C₆H₉O⁺, C₅H₈O⁺, C₅H₁₀⁺, C₄H₆O⁺, C₅H₉⁺, C₄H₈⁺, C₄H₇⁺, C₃H₇⁺, C₃H₆⁺, C₂H₂O⁺, and CH₃⁺ are determined with their photoionization efficiency (PIE) spectra in the photon energy region of ∼8−15.5 eV. Breakdown diagrams identifying the major products are presented. Dissociative photoionization channels for formation of these fragment ions are proposed based on comparison of determined experimental appearance energies and energies predicted with the DFT calculations. According to our results, the experimental dissociation energies are in fair agreement with the theoretical values of the possible photodissociation channels of C₁₀H₁₈O.     

SrAl_2B_2O_7:Dy~(3+)材料的制备及其发光性能

采用高温固相法制备了SrAl2B2O7:Dy3+发光材料.在350nm紫外光激发下,测得SrAl2B2O7:Dy3+材料的发射光谱为一个多峰宽谱,主峰分别为480,573和678nm;分别和Dy3+的4F9/2→6H15/2,4F9/2→6H13/2,4F9/2→6H11/2的跃迁发射相对应;监测573nm的发射峰,得到材料的激发光谱为一个多峰宽谱,主峰分别为295,325,350,365,400nm.研究了Dy3+掺杂浓度对SrAl2B2O7:Dy3+材料发射光谱的影响,随着Dy3+掺杂浓度的增大,SrAl2B2O7:Dy3+材料的Iy/Ib逐渐增大,根据Judd-Ofelt理论解释了其原因.随着Dy3+掺杂浓度的增大,Dy3+的4F9/2→6H13/2跃迁产生的573nm发射峰强度先增大,在4%时达到最大值,之后减小,其自身的浓度猝灭机理为电偶极-电偶极相互作用.不同的电荷补偿剂Li+,Na+,K+的引入均使发光强度得到提高,尤其以Li+最佳,发光强度提高了大约33%.     

H2在MgO团簇吸附的从头计算研究

根据最稳定幻数MgO团簇的结构特点,对H₂在岩盐和管状结构(MgO)_9,12表面的吸附性质进行了从头计算研究.结果表明H₂可以在处于团簇不同位置的Mg正离子或氧负离子上发生物理吸附;在Mg离子上H₂以侧位方式吸附并向Mg转移电子,在O离子上H₂以端位方式吸附并被明显极化.吸附的稳定性主要依赖于吸附离子的位置即配位数,Mg/O离子的配位数越低则吸附越强;在配位数相同时,H₂在M 关键词： 团簇 MgO 2吸附')" href="#">H₂吸附 DFT     

Coherent Raman and Infrared Studies of Sulfur Trioxide

High-resolution (0.001 cm⁻¹) coherent anti-Stokes Raman scattering (CARS) was used to observe the Q-branch structure of the IR-inactive ν₁ symmetric stretching mode of ³²S¹⁶O₃ and its various ¹⁸O isotopomers. The ν₁ spectrum of ³²S¹⁶O₃ reveals two intense Q-branches in the region 1065–1067 cm⁻¹, with surprisingly complex vibrational–rotational structure not resolved in earlier studies. Efforts to simulate this with a simple Fermi-resonance model involving ν₁ and 2ν₄ states do not reproduce the spectral detail, nor do they yield reasonable spectroscopic parameters. A more subtle combination of Fermi resonance and indirect Coriolis interactions with nearby states, 2ν₄(1=0, ±2), ν₂+ν₄(1=±1), 2ν₂(1=0), is suspected and a determination of the location of these coupled states by high-resolution infrared measurements is under way. At medium resolution (0.125 cm⁻¹), the infrared spectra reveal Q-branch features from which approximate band origins are estimated for the ν₂, ν₃, and ν₄ fundamental modes of ³²S¹⁸O₃, ³²S¹⁸O₂¹⁶O, and ³²S¹⁸O¹⁶O₂. These and literature data for ³²S¹⁶O₃ are used to calculate force constants for SO₃ and a comparison is made with similar values for SO₂ and SO. The frequencies and force constants are in excellent agreement with those obtained by Martin in a recent ab initio calculation.     

Effective actions of intersecting brane worlds, fluxes and gaugino condensation

In this article we will first discuss the construction of brane world models being built either by intersecting D6-branes in type IIA orientifolds or, in the T-dual mirror picture, by D3- plus D7-branes with f-flux in type IIB orientifolds. We will show how their effective action is obtained by the calculation of scattering amplitudes between open and closed string states on intersecting D6-branes respectively on D3- and D7-branes. Secondly, turning on type IIB 3-form fluxes we will compute the induced soft supersymmetry breaking terms for the matter fields, like gaugino and scalar field masses. Finally, we will discuss the generation of 3-form flux in type IIB supergravity, which can be associated to the dynamical formation of a gaugino condensate in the confining phase of the dual N=1^* gauge theory. To cite this article: D. Lüst, C. R. Physique 5 (2004).

Résumé

Dans cet article nous discutons tout d'abord la construction de modèles de monde branaires construits soit par intersection de branes D6 dans des orientifolds de type IIA ou, dans la représentation T-duale, par des branes de type D3 et D7 avec des flux f dans les orientifolds de type IIB. Nous montrons comment obtenir leurs actions effectives en calculant les amplitudes de diffusion sur des intersections de branes de D6 et aussi sur des branes de type D3 et D7. Ensuite, nous allumons des flux pour la 3-forme de type IIB et nous calculons les termes de brisure douce de la supersymétrie pour les champs de matière, comme les masses du jaugino et des champs scalaires. Enfin, nous discutons la génération de flux pour la 3-forme de type IIB en supergravité, qui peut-être associée à la dynamique de la formation de condensat de jaugino dans la phase confinante de la théorie de jauge duale N=1^*. Pour citer cet article : D. Lüst, C. R. Physique 5 (2004).     

Semiclassical relativistic strings in and long scalar operators in SYM theory

We review recent progress in quantitative checking of AdS/CFT duality in the sector of ‘semiclassical’ string states dual to ‘long’ scalar N=4 super Yang–Mills operators. In particular, we describe the effective action approach, in which the same sigma model type action describing coherent states is shown to emerge from the AdS₅×S⁵ string action and from an integrable spin chain Hamiltonian representing the SYM dilatation operator. To cite this article: A.A. Tseytlin, C. R. Physique 5 (2004).

Résumé

Nous passons en revue les progrès récents sur les vérifications quantitatives de la dualité AdS/CFT dans le régime où les états « semiclassiques » de cordes sont du aux « longs » opérateurs scalaires de la théorie de super Yang–Mills N=4. En particulier, nous décrivons l'approche effective, dans laquelle le modèle sigma décrivant les états cohérents est montré émerger de l'action de la corde sur AdS₅×S⁵ et de l'Hamiltonien d'une chaîne de spin intégrable représentant l'opérateur de dilatation en SYM. Pour citer cet article : A.A. Tseytlin, C. R. Physique 5 (2004).     

N2微空心阴极放电特性及其阴极溅射的PIC/MC模拟

采用两维PIC/MCC模型模拟了氮气微空心阴极放电以及轰击离子 (N₂⁺,N⁺) 的钛阴极溅射. 主要计算了氮气微空心阴极放电离子 (N₂⁺,N⁺) 及溅射原子Ti的行为分布, 并研究了溅射Ti 原子的热化过程. 结果表明: 在模拟条件下, 空心阴极效应是负辉区叠加的电子震荡; 在对应条件下, 微空心较传统空心放电两种离子 (N₂⁺,N⁺) 密度均大两个量级, 两种离子的平均能量的分布及大小几乎相同; 在放电空间N⁺的密度约为N₂⁺的1/6, 最大能量约大2倍; 在不同参数 (P, T, V)下, 轰击阴极内表面的氮离子(N₂⁺,N⁺)的密度近似均匀, 其平均能量几乎相等; 从阴极溅射出的Ti原子的初始平均能量约6.8 eV, 离开阴极约0.15 mm处几乎完全被热化. 模拟结果为N₂微空心阴极放电等离子体特性的认识提供了参考依据. 关键词： 微空心阴极放电 PIC/MC模拟 2等离子体')" href="#">N₂等离子体     

The role of co-adsorbed O2 on the catalytic reduction of NO with C2H5OH on the surface of Pt(3 3 2)

The influence of pre-dosed O₂ on the catalytic reduction of NO with ¹³C₂H₅OH on the surface of stepped Pt(3 3 2) was investigated using Fourier transform infra red reflection-absorption spectroscopy (FTIR-RAS) and thermal desorption spectroscopy (TDS). We show that the oxidation of ¹³C₂H₅OH with O₂ is a very effective reaction, occurring at 150 K and giving rise to acetate. The presence of NO does not lead to any evident oxidation of ¹³C₂H₅OH irrespective of the annealing temperature. For the case of O₂ + ¹³C₂H₅OH + NO co-adlayers, oxidation of ¹³C₂H₅OH also takes place at 150 K. However, no new surface species that are supposed to be an intermediate for the production of N₂ are detected.The influence of O₂ on the production and desorption of N₂ is intimately related to both O₂ and ¹³C₂H₅OH coverage. The presence of pre-dosed O₂ does not greatly promote N₂ desorption. In fact, N₂ desorption is suppressed quantitatively with increasing O₂ coverage, after which unreacted, or left-over O atoms appear and remain on steps. It is concluded that the presence of pre-dosed O₂ does not play a role of activating reactants in the catalytic reduction of NO with ¹³C₂H₅OH on the surface of Pt(3 3 2).     

Messungen des γi-Koeffizienten,der Zündspannung und des normalen Katodenfalls der Glimmentladung an gasbedeckten Mo- und Fe-Oberflächen in Edelgasen

Measurements of the γ_i-coefficient, the ignition voltage and the normal cathode fall of the glow discharge on gas-covered cathode surfaces for the combinations Mo—Ne⁺, Ar⁺, Kr⁺, Xe⁺ and Fe—Ne⁺ are described. H₂, N₂ and O₂ are used for covering the cathodes with a monomolecular adsorption layer. Measurements are carried out with a dynamic method according to VARNEY in the range 30 ? X/p₀ ? 400 V cm^?1 Torr^?1.     

Effect of high doses of N<Superscript>+</Superscript>, N<Superscript>+</Superscript> + Ni<Superscript>+</Superscript>, and Mo<Superscript>+</Superscript> + W<Superscript>+</Superscript> ions on the physicomechanical properties of TiNi

The surface layer of an equiatomic TiNi alloy, which exhibits the shape memory effect in the martensitic state, is modified with high-dose implantation of 65-keV N⁺ ions (the implantation dose is varied from 10¹⁷ to 10¹⁸ ions/cm²). TiNi samples are implanted by N⁺, Ni⁺-N⁺, and Mo⁺-W⁺ ions at a dose of 10¹⁷–10¹⁸ cm⁻² and studied by Rutherford backscattering, scanning electron microscopy, energy dispersive spectroscopy, X-ray diffraction (glancing geometry), and by measuring the nanohardness and the elastic modulus. A Ni⁺ concentration peak is detected between two maxima in the depth profile of the N⁺ ion concentration. X-ray diffraction (glancing geometry) of TiNi samples implanted by Ni⁺ and N⁺ ions shows the formation of the TiNi (B2), TiN, and Ni₃N phases. In the initial state, the elastic modulus of the samples is E = 56 GPa at a hardness of H = 2.13 ± 0.30 GPa (at a depth of 150 nm). After double implantation by Ni⁺-N⁺ and W⁺-Mo⁺ ions, the hardness of the TiNi samples is ∼2.78 ± 0.95 GPa at a depth of 150 nm and 4.95 ± 2.25 GPa at a depth of 50 nm; the elastic modulus is 59 GPa. Annealing of the samples at 550°C leads to an increase in the hardness to 4.44 ± 1.45 GPa and a sharp increase in the elastic modulus to 236 ± 39 GPa. A correlation between the elemental composition, microstructure, shape memory effect, and mechanical properties of the near-surface layer in TiNi is found.     

High-level theoretical spectroscopic parameters for three ions of astrochemical interest

The equilibrium geometry and rovibrational spectroscopic parameters of the three astrochemical ions l-C₃H⁺, l-SiC₂H⁺, and C₃N^? and some of their isotopologues are obtained from high-level quantum chemical calculations. A composite approach based on the explicitly correlated coupled-cluster method CCSD(T)-F12b, that further includes core correlation, scalar-relativistic effects and most importantly higher order correlation beyond CCSD(T) is used to set-up the near-equilibrium potential energy surface (PES). The spectroscopic parameters of these linear tetra-atomic ions are then extracted from these PESs by vibrational perturbation theory of second order (VPT2). Calculation of absolute intensities is also carried out for the stretching frequencies of the cations in order to identify the bands that are most likely to be detected. The importance of the accurate calculation of the rotational constants B₀ and D₀ for astrochemistry is discussed as well as the limits of VPT2 in this context and reasons for these limitations.     

Equilibrium charge state distributions of beam foil excited molecular fragments exiting carbon foils

Summary Equilibrium charge state distributions of ions emerging from solids have been measured. As incident particles were used both atomic (C⁺, N⁺, O⁺) and molecular (N ₂ ⁺ , CO⁺) projectile ions (0.025<E/M<0.108 MeV/u). The data of atomic projectile ions agree well with the data of other authors in a range in which they overlap. Charge state fractions of emerging molecular-fragment ions behind a carbon foil are strongly influenced by the Coulomb explosion and possibly by the wake potential. Supported by BMFT/Bonn.     

The Fe–Cr system: atomistic modelling of thermodynamics and kinetics of phase transformations

To understand the behaviour of irradiated defects and kinetic pathways of micro-structural evolution in Fe–Cr alloys, we use a combination of density functional theory with statistical approaches involving cluster expansions and Monte Carlo simulations. A lowest negative mixing enthalpy is found at 6.25% Cr that is consistent with our DFT prediction of an ordered Fe₁₅Cr structure. At 50% Cr, it is found that the predicted enthalpy of formation is 4 times smaller than that calculated by the CPA approach. Thermodynamic and precipitation properties are then discussed in term of segregation between the Fe₁₅Cr and α^′-Cr phases and of vacancy-mediated kMC simulation. To cite this article: D. Nguyen-Manh et al., C. R. Physique 9 (2008).     

Secondary ion emission under the bombardment of Si by multiply charged Si q+ ions

The spectra of secondary ion emission under the bombardment of a B-doped Si target by multiply charged Si ^q+ ions (q = 1?C5) have been studied in the energy range of 1 to 10 keV per unit of charge. A multifold increase in the yield of secondary cluster Sk _n ⁺ ions, multiply charged Si ^q/+ ion (q = 1?C3), and H⁺, C⁺, B⁺, Si₂N⁺, Si₂O⁺ is observed as the charge of the multiply charged ions increases. The increase in the yield of secondary ions with increasing charge of the multiply charged-ion charge is most significant for ions with relatively high ionization potentials.     

Relative Anfangsbesetzungszahlen der Zustände 2p und 3d folienangeregter Wasserstoffatome

The Lyman-α radiation of fast moving hydrogen atoms excited by a thin carbon foil is measured using a channel electron multiplier with a Mg F₂ filter. The photonintensity-versus-distance curve exhibits the 2p (1.596 ns) decay followed by a cascade tail originating mainly from the 3d level (15.47 ns). The data is analyzed by a computer program using the known mean lives of the 2p, 3d, and 3s states and yields the relative initial state populationY=N _2p ⁰ N _{3 d} ⁰ which depends on the kind of incident ions (H⁺ or H₂ ⁺). For H₂ ⁺ ions, excited with a single foil, there might be a slight dependence ofY on the beam velocity, but for H⁺ ions incident on the foil, no such dependence is found.     

Supersymmetric backgrounds from generalized Calabi–Yau manifolds

We show that the supersymmetry transformations for type II string theories on six-manifolds can be written as differential conditions on a pair of pure spinors, the exponentiated Kähler form e^iJ and the holomorphic form Ω. The equations are explicitly symmetric under exchange of the two pure spinors and a choice of even or odd-rank RR field. This is mirror symmetry for manifolds with torsion. Moreover, RR fluxes affect only one of the two equations: e^iJ is closed under the action of the twisted exterior derivative in IIA theory, and similarly Ω is closed in IIB. This means that supersymmetric SU(3)-structure manifolds are always complex in IIB while they are twisted symplectic in IIA. Modulo a different action of the B-field, these are all generalized Calabi–Yau manifolds, as defined by Hitchin. To cite this article: M. Graña et al., C. R. Physique 5 (2004).

Résumé

On montre que les transformations de supersymétrie pour les théories des cordes de type II peuvent être traduites dans des équations différentielles pour une paire de spineurs purs, l'exponentiel de la forme de Kähler e^iJ et la forme holomorphe Ω. Ces équations sont symétriques sous l'échange des deux spineurs purs et des formes de RR de rang pair ou impair. Cette propriété est la symétrie miroir pour les variétés avec torsion. On voit aussi que les fluxes de RR entrent seulement dans une des deux équations : e^iJ est fermé sous l'action de la dérivée extérieure « twisted » dans la corde de type IIA, et de la même manière Ω est fermé en type IIB. Cela implique que les variétés supersymétriques de structure SU(3) sont toujours complexes en type IIB ou bien symplectiques « twisted » en IIA. Ces variétés sont donc des variétés des Calabi–Yau généralisées selon la définition de Hitchin, mais avec une action du champ B différente. Pour citer cet article : M. Graña et al., C. R. Physique 5 (2004).     

X-Ray Photon Correlation Spectroscopy at the European X-Ray Free-Electron Laser (XFEL) facility

The proposed European X-ray Free-Electron Laser source (XFEL) will provide extremely brilliant (B>10³³ ph/s/mm²/mrad²/0.1% bw) and highly coherent X-ray beams. Due to the pulse structure and the unprecedented brightness one will be able for the first time to study fast dynamics in the time domain, thus giving direct access to the dynamic response function S(Q,t), instead of S(Q,ω), which is of central importance for a variety of phenomena such as fast non-equilibrium dynamics. X-ray Photon Correlation Spectroscopy (XPCS) measures the temporal changes in a speckle pattern produced when coherent light is scattered by a disordered system and therefore allows the measurement of S(Q,t). This article summarizes important aspects of the scientific case for an XPCS instrument at the planned XFEL. New XPCS setups taking account of the XFEL pulse structure are described. To cite this article: G. Grübel, C. R. Physique 9 (2008).