Perturbation approach to the self-energy of non-S hydrogenic states

International Nuclear Information System (INIS)

Le Bigot, Eric-Olivier; Jentschura, Ulrich D.; Mohr, Peter J.; Indelicato, Paul; Soff, Gerhard

2003-01-01

We present results on the self-energy correction to the energy levels of hydrogen and hydrogenlike ions. The self-energy represents the largest QED correction to the relativistic (Dirac-Coulomb) energy of a bound electron. We focus on the perturbation expansion of the self-energy of non-S states, and provide estimates of the so-called A 60 perturbation coefficient, which can be viewed as a relativistic Bethe logarithm. Precise values of A 60 are given for many P, D, F, and G states, while estimates are given for other states. These results can be used in high-precision spectroscopy experiments in hydrogen and hydrogenlike ions. They yield the best available estimate of the self-energy correction of many atomic states

Ground-state populations of atomic hydrogen and hydrogen-like ions in nonthermal plasmas, and collisional-radiative recombination and ionization coefficients

International Nuclear Information System (INIS)

Drawin, H.W.; Emard, F.

1978-01-01

The populations of atomic hydrogen and hydrogen-like ions have been calculated using a collisional-radiative model. The global collisional-radiative excitation coefficients rsub(j)sup((0)) and rsub(j)sup((1)) valid for homogeneous-stationary and/or quasi-homogeneous quasi-stationary plasmas were published recently. The present paper contains in tabulated form the ground state populations and Saha decrements for the homogeneous stationary state, and the collisional-radiative recombination and ionization coefficients. (Auth.)

Effects of an electric field on the confined hydrogen atom in a parabolic potential well

International Nuclear Information System (INIS)

Xie Wenfang

2009-01-01

Using the perturbation method, the confined hydrogen atom by a parabolic potential well is investigated. The binding energy of the confined hydrogen atom in a parabolic potential well is calculated as a function of the confined potential radius and as a function of the intensity of an applied electric field. It is shown that the binding energy of the confined hydrogen atom is highly dependent on the confined potential radius and the intensity of an applied electric field.

The study of multiphoton ionization processes in hydrogen atoms

International Nuclear Information System (INIS)

Mohammad, M.A.

1981-01-01

In this thesis we investigate theoretically the multiphoton ionization of hydrogen atoms based on perturbation theory.The main problem in the numorical evaluation is the appearance of infinite summation over the matrix element and energy denominators of the intermediate state in the formula for ionization cross section.Our numerical result is in excellent agreement with other workers.In the last part of the thesis we have again calculated the two photon ionization of hydrogen atoms using momentum translation approximation of Reiss.The method in general is in fair agreement with other calculations but dose not show the resonance behaviour.(2 tabs., 1 fig., 45 refs.)

Atomic hydrogen reactor

International Nuclear Information System (INIS)

Massip de Turville, C.M.D.

1982-01-01

Methods are discussed of generating heat in an atomic hydrogen reactor which involve; the production of atomic hydrogen by an electrical discharge, the capture of nascent neutrons from atomic hydrogen in a number of surrounding steel alloy tubes having a high manganese content to produce 56 Mn, the irradiation of atomic hydrogen by the high energy antineutrinos from the beta decay of 56 Mn to yield nascent neutrons, and the removal of the heat generated by the capture of nascent neutrons by 55 Mn and the beta decay of 56 Mn. (U.K.)

The Confined Hydrogen Atom with a Moving Nucleus

Science.gov (United States)

Fernandez, Francisco M.

2010-01-01

We study the hydrogen atom confined to a spherical box with impenetrable walls but, unlike earlier pedagogical articles on the subject, we assume that the nucleus also moves. We obtain the ground-state energy approximately by means of first-order perturbation theory and show that it is greater than that for the case in which the nucleus is clamped…

Complete classification of qualitatively different perturbations of the hydrogen atom in weak near-orthogonal electric and magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Efstathiou, K; Lukina, O V [Department of Mathematics, University of Groningen, Groningen 9700 AK (Netherlands); SadovskiI, D A [Departement de physique, Universite du Littoral, 59140 Dunkerque (France)], E-mail: K.Efstathiou@rug.nl, E-mail: O.Lukina@math.rug.nl, E-mail: sadovski@univ-littoral.fr

2009-02-06

We consider perturbations of the hydrogen atom by sufficiently small homogeneous static electric and magnetic fields in near-orthogonal configurations. Normalization of the Keplerian symmetry reveals that in the parameter space such systems belong in a 'zone' of systems close to the 1:1 resonance, the latter corresponding to the exactly orthogonal configuration. Integrable approximations obtained from second normalization of systems in the 1:1 zone are classified into several different qualitative types, many of which possess nontrivial monodromy. We compute monodromy of the complete three-dimensional energy-momentum map, compare the joint quantum spectrum to classical bifurcation diagrams, and show the effect of second normalization to the joint spectrum.

Experiments with cold hydrogen atoms

International Nuclear Information System (INIS)

Leonas, V.B.

1981-01-01

Numerous investigations of atomic processes in Waseous phase on the surface with participation of ''cold'' hydrogen atoms, made during the last years, are considered. The term ''cold atom'' means the range of relative collision energies E<10 MeV (respectively 'ultracold ' atoms at E< or approximately 1 MeV) which corresponds to the range of temperatures in tens (units) of K degrees. Three main ranges of investigations where extensive experimental programs are realized are considered: study of collisional processes with hydrogen atom participation, hydrogen atoms being of astrophysical interest; study of elastic atom-molecular scattering at superlow energies and studies on the problem of condensed hydrogen. Hydrogen atoms production is realized at dissociation in non-electrode high-frequency or superhigh-frequency discharge. A method of hydrogen quantum generator and of its modifications appeared to be rather an effective means to study collisional changes of spin state of hydrogen atoms. First important results on storage and stabilization of the gas of polarized hydrogen atoms are received

Stable atomic hydrogen: Polarized atomic beam source

International Nuclear Information System (INIS)

Niinikoski, T.O.; Penttilae, S.; Rieubland, J.M.; Rijllart, A.

1984-01-01

We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

Spheroidal corrections to the spherical and parabolic bases of the hydrogen atom

International Nuclear Information System (INIS)

Mardyan, L.G.; Pogosyan, G.S.; Sisakyan, A.N.

1986-01-01

This paper introduces the bases of the hydrogen atom and obtains recursion relations that determine the expansion of the spheroidal basis with respect to its parabolic basis. The leading spheroidal corrections to the spherical and parabolic bases are calculated by perturbation theory

Antiprotonic-hydrogen atoms

International Nuclear Information System (INIS)

Batty, C.J.

1989-07-01

Experimental studies of antiprotonic-hydrogen atoms have recently made great progress following the commissioning of the low energy antiproton facility (LEAR) at CERN in 1983. At the same time our understanding of the atomic cascade has increased considerably through measurements of the X-ray spectra. The life history of the p-bar-p atom is considered in some detail, from the initial capture of the antiproton when stopping in hydrogen, through the atomic cascade with the emission of X-rays, to the final antiproton annihilation and production of mesons. The experiments carried out at LEAR are described and the results compared with atomic cascade calculations and predictions of strong interaction effects. (author)

Collision cascades enhanced hydrogen redistribution in cobalt implanted hydrogenated diamond-like carbon films

International Nuclear Information System (INIS)

Gupta, P.; Becker, H.-W.; Williams, G.V.M.; Hübner, R.; Heinig, K.-H.; Markwitz, A.

2017-01-01

Highlights: • This paper reports for the first time redistribution of hydrogen atoms in diamond like carbon thin films during ion implantation of low energy magnetic ions. • The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. • Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications. - Abstract: Hydrogenated diamond-like carbon films produced by C_3H_6 deposition at 5 kV and implanted at room temperature with 30 keV Co atoms to 12 at.% show not only a bimodal distribution of Co atoms but also a massive redistribution of hydrogen in the films. Resonant nuclear reaction analysis was used to measure the hydrogen depth profiles (15N-method). Depletion of hydrogen near the surface was measured to be as low as 7 at.% followed by hydrogen accumulation from 27 to 35 at.%. A model is proposed considering the thermal energy deposited by collision cascade for thermal insulators. In this model, sufficient energy is provided for dissociated hydrogen to diffuse out of the sample from the surface and diffuse into the sample towards the interface which is however limited by the range of the incoming Co ions. At a hydrogen concentration of ∼35 at.%, the concentration gradient of the mobile unbounded hydrogen atoms is neutralised effectively stopping diffusion towards the interface. The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications.

Collision cascades enhanced hydrogen redistribution in cobalt implanted hydrogenated diamond-like carbon films

Energy Technology Data Exchange (ETDEWEB)

Gupta, P. [National Isotope Centre, GNS Science, Lower Hutt (New Zealand); The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington (New Zealand); Becker, H.-W. [RUBION, Ruhr-University Bochum (Germany); Williams, G.V.M. [The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington (New Zealand); Hübner, R.; Heinig, K.-H. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (Germany); Markwitz, A., E-mail: a.markwitz@gns.cri.nz [National Isotope Centre, GNS Science, Lower Hutt (New Zealand); The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington (New Zealand)

2017-03-01

Highlights: • This paper reports for the first time redistribution of hydrogen atoms in diamond like carbon thin films during ion implantation of low energy magnetic ions. • The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. • Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications. - Abstract: Hydrogenated diamond-like carbon films produced by C{sub 3}H{sub 6} deposition at 5 kV and implanted at room temperature with 30 keV Co atoms to 12 at.% show not only a bimodal distribution of Co atoms but also a massive redistribution of hydrogen in the films. Resonant nuclear reaction analysis was used to measure the hydrogen depth profiles (15N-method). Depletion of hydrogen near the surface was measured to be as low as 7 at.% followed by hydrogen accumulation from 27 to 35 at.%. A model is proposed considering the thermal energy deposited by collision cascade for thermal insulators. In this model, sufficient energy is provided for dissociated hydrogen to diffuse out of the sample from the surface and diffuse into the sample towards the interface which is however limited by the range of the incoming Co ions. At a hydrogen concentration of ∼35 at.%, the concentration gradient of the mobile unbounded hydrogen atoms is neutralised effectively stopping diffusion towards the interface. The results point towards new routes of controlling the composition and distribution of elements at the nanoscale within a base matrix without using any heat treatment methods. Exploring these opportunities can lead to a new horizon of materials and device engineering needed for enabling advanced technologies and applications.

Benchmark Calculation of Radial Expectation Value for Confined Hydrogen-Like Atoms and Isotropic Harmonic Oscillators

International Nuclear Information System (INIS)

Yu, Rong Mei; Zan, Li Rong; Jiao, Li Guang; Ho, Yew Kam

2017-01-01

Spatially confined atoms have been extensively investigated to model atomic systems in extreme pressures. For the simplest hydrogen-like atoms and isotropic harmonic oscillators, numerous physical quantities have been established with very high accuracy. However, the expectation value of which is of practical importance in many applications has significant discrepancies among calculations by different methods. In this work we employed the basis expansion method with cut-off Slater-type orbitals to investigate these two confined systems. Accurate values for several low-lying bound states were obtained by carefully examining the convergence with respect to the size of basis. A scaling law for was derived and it is used to verify the accuracy of numerical results. Comparison with other calculations show that the present results establish benchmark values for this quantity, which may be useful in future studies. (author)

Muonium/muonic hydrogen formation in atomic hydrogen

Indian Academy of Sciences (India)

The muonium/muonic hydrogen atom formation in ± –H collisions is investigated, using a two-state approximation in a time dependent formalism. It is found that muonium cross-section results are similar to the cross-section results obtained for positronium formation in + –H collision. Muonic hydrogen atom formation ...

Interactions of atomic hydrogen with amorphous SiO2

Science.gov (United States)

Yue, Yunliang; Wang, Jianwei; Zhang, Yuqi; Song, Yu; Zuo, Xu

2018-03-01

Dozens of models are investigated by the first-principles calculations to simulate the interactions of an atomic hydrogen with a defect-free random network of amorphous SiO2 (a-SiO2) and oxygen vacancies. A wide variety of stable configurations are discovered due to the disorder of a-SiO2, and their structures, charges, magnetic moments, spin densities, and density of states are calculated. The atomic hydrogen interacts with the defect-free a-SiO2 in positively or negatively charged state, and produces the structures absent in crystalline SiO2. It passivates the neutral oxygen vacancies and generates two neutral hydrogenated E‧ centers with different Si dangling bond projections. Electron spin resonance parameters, including Fermi contacts, and g-tensors, are calculated for these centers. The atomic hydrogen interacts with the positive oxygen vacancies in dimer configuration, and generate four different positive hydrogenated defects, two of which are puckered like the Eγ‧ centers. This research helps to understand the interactions between an atomic hydrogen, and defect-free a-SiO2 and oxygen vacancies, which may generate the hydrogen-complexed defects that play a key role in the degeneration of silicon/silica-based microelectronic devices.

The hydrogen atom in a magnetic field. Spectrum from the Coulomb dynamical group approach

International Nuclear Information System (INIS)

Delande, D.; Gay, J.C.

1986-01-01

Some sample results are presented for the problems of the hydrogen atom in a magnetic field. The energies have been computed for a typical Rydberg situation of atomic physics interest using limited computer facilities. The use of the Coulomb dynamical group allows a complete description of the symmetries and a rational choice of a Sturmian type basis set. Moreover, comparison with Rayleigh-Schrodinger perturbative expansions of the energies is performed. (author)

Inverting the Rayleigh-Schroedinger perturbation series: Application to atomic stabilization by intense light

International Nuclear Information System (INIS)

Baik, M.; Pont, M.; Shakeshaft, R.

1995-01-01

We develop a method for calculating the (quasi)energy eigenvalue E(F) of a hydrogen atom in a nonperturbative ac field of strength F starting from a knowledge of the coefficients E (2m) of the Rayleigh-Schroedinger perturbation series E(F)=tsum m=0 M E (2m) F 2m . We first use the coefficients E (2m) (the unperturbed energy is E (0) ) to construct the inverse series F 2 (E)=tsum m=1 M F (m) (E-E (0) ) m . We resum the latter series using the Pade method, and solve the implicit equation F 2 (E)=bar F 2 for E(bar F). The reconstructed function E(F) has the singularity structure appropriate to the true E(F). We are able to obtain good results for the lifetime of a hydrogen atom in a high-frequency field up to very high intensities, well into the (highly nonperturbative) stabilization regime

Quantum chemical simulation of hydrogen like states in silicon and diamond

International Nuclear Information System (INIS)

Gel'fand, R.B.; Gordeev, V.A.; Gorelkinskij, Yu.V.

1989-01-01

The quantum-chemical methods of the complete neglect of differential overlap (CNDO) and intermediate neglect of differential overlap (INDO) are used to calculate the electronic structure of atomic hydrogen (muonium) located at different interstital sites of the silicon and diamond crystal lattices. The electronic g- and hyperfine interaction tensors of the impure atom are determined.The results obtained are compared with the experimental data on the 'normal' (Mu') and 'anomalous' (Mu * ) muonium centers as well as on the hydrogen-bearing Si-AA9 EPR center which is a hydrogen-bearing analogue of (Mu * ). The most likely localization sites for hydrogen (muonium) atoms in silicon and diamond crystals are established. 22 refs

The hydrogen atom and Bateman functions

International Nuclear Information System (INIS)

Yaacob, K.B.

1988-01-01

The radial equations for the multi-dimensional hydrogen atom are reexamined using a integral representation of the equations that is found to be connected to the Schrodinger equation for the one-dimensional hydrogen atom. Application of the integral representation solution to the one-dimensional hydrogen atom leads to the conclusive proof that, contrary to current acceptance, the states of the one-dimensional hydrogen atom are non-degenerate. The integral representation was originally developed by Bateman (1931) and was later generalized by several workers. Based on these later works it is possible to apply the method to find the second solutions to the radial equations for the three and two-dimensional hydrogen atoms. The solutions are expressible in terms of the associated Laguerre polynomials and except for the phase factor, are similar to the first solutions. (author)

Small-angle scattering of ions or atoms by atomic hydrogen

International Nuclear Information System (INIS)

Franco, V.

1982-01-01

A theory for small-angle scattering of arbitrary medium- or high-energy atoms or ions by atomic hydrogen is described. Results are obtained in terms of the known closed-form and easily calculable Glauber-approximation scattering amplitudes for electron-hydrogen collisions and for collisions between the nucleus (treated as one charged particle) of the ion or atom and the hydrogen atom, and in terms of the transition form factor of the arbitrary ion or atom. Applications are made to the angular differential cross sections for the excitation of atomic hydrogen to its n = 2 states by singly charged ground-state helium ions having velocities of roughly between 1/2 and 1 a.u. The differential cross sections are obtained in terms of electron-hydrogen amplitudes and the known He + ground-state form factor. Comparisons are made with other calculations and with recent measurements. The results are in good agreement with the data. It is seen that the effect of the He + electron is to produce significant constructive interference at most energies

Lamb Shift of n = 1 and n = 2 States of Hydrogen-like Atoms, 1 ≤ Z ≤ 110

Energy Technology Data Exchange (ETDEWEB)

Yerokhin, V. A. [Center for Advanced Studies, Peter the Great St. Petersburg Polytechnic University, Polytekhnicheskaya 29, St. Petersburg 195251 (Russian Federation); Shabaev, V. M. [Department of Physics, St. Petersburg State University, Ulianovskaya 1, Petrodvorets, St. Petersburg 198504 (Russian Federation)

2015-09-15

Theoretical energy levels of the n = 1 and n = 2 states of hydrogen-like atoms with the nuclear charge numbers 1 ≤ Z ≤ 110 are tabulated. The tabulation is based on ab initio quantum electrodynamics calculations performed to all orders in the nuclear binding strength parameter Zα, where α is the fine structure constant. Theoretical errors due to various effects are critically examined and estimated.

Fisher information in confined hydrogen-like ions

Science.gov (United States)

Mukherjee, Neetik; Majumdar, Sangita; Roy, Amlan K.

2018-01-01

Fisher information (I) is investigated for confined hydrogen atom (CHA)-like systems in conjugate r and p spaces. A comparative study between CHA and free H atom (with respect to I) is pursued. A detailed systematic result of I with respect to variation of confinement radius rc is presented, with particular emphasis on non-zero- (l, m) states. In certain respect, inferences in CHA are significantly different from free counterpart, such as (i) dependence on n, l quantum numbers (ii) appearance of maxima in Ip plots for | m | ≠ 0 . The role of atomic number and atomic radius is discussed.

Hydrogen atom in intense magnetic field.

Science.gov (United States)

Canuto, V.; Kelly, D. C.

1972-01-01

The structure of a hydrogen atom situated in an intense magnetic field is investigaged. Three approaches are employed. An elementary Bohr picture establishes a crucial magnetic field strength, H sub a approximately equal to 5 x 10 to the 9th G. Fields in excess of H sub a are intense in that they are able to modify the characteristic atomic scales of length and binding energy. A second approach solves the Schrodinger equation by a combination of variational methods and perturbation theory. It yields analytic expressions for the wave functions and energy eigenvalues. A third approach determines the energy eigenvalues by reducing the Schrodinger equation to a one-dimensional wave equation, which is then solved numerically. Energy eigenvalues are tabulated for field strengths of 2 x 10 to the 10th G and 2 x 10 to the 12th G. It is found that at 2 x 10 to the 12th G the lowest energy eigenvalue is changed from -13.6 to about -180 eV in agreement with previous variational computations.

Selective hydrogen atom abstraction by hydrogen atoms in photolysis and radiolysis of alkane mixtures at 770 K

International Nuclear Information System (INIS)

Miyazaki, T.; Kinugawa, K.; Eguchi, M.; Guedes, S.M.L.

1977-01-01

Selective hydrogen atom abstraction reaction by H atoms, has been found in Isobutane, 2,2,3,3-tetramethylbutane(TMB), cyclopropane matrices besides neopentane matrix. The selective hydrogen atom abstraction reaction in neopentane-isobutane mixture is affected by the difference of kinetic energies of H atoms. The reaction occurs more favorably with decreasing the kinetic energy of H atoms. Competitive reaction between c-C 6 H 12 and Hi for H atoms has been studied in the radiolysis and photolysis of neo-C 5 H 12 HI mixture at 77 K. The rate constants of these reactions in neopentane matrix are quite different from these of thermal H atom reaction, but similar to those of hot H atom reaction. Importance of the selective hydrogen atom abstraction reaction by H atoms is pointed out in the radical formation in the radiolysis of pure TMB at 77 K [pt

Regular perturbation theory for two-electron atoms

International Nuclear Information System (INIS)

Feranchuk, I.D.; Triguk, V.V.

2011-01-01

Regular perturbation theory (RPT) for the ground and excited states of two-electron atoms or ions is developed. It is shown for the first time that summation of the matrix elements from the electron-electron interaction operator over all intermediate states can be calculated in a closed form by means of the two-particle Coulomb Green's function constructed in the Letter. It is shown that the second order approximation of RPT includes the main part of the correlation energy both for the ground and excited states. This approach can be also useful for description of two-electron atoms in external fields. -- Highlights: → We develop regular perturbation theory for the two-electron atoms or ions. → We calculate the sum of the matrix elements over all intermediate states. → We construct the two-particle Coulomb Green's function.

Electron loss from hydrogen-like highly charged ions in collisions with electrons, protons and light atoms

Science.gov (United States)

Lyashchenko, K. N.; Andreev, O. Yu; Voitkiv, A. B.

2018-03-01

We consider electron loss from a hydrogen-like highly charged ion (HCI) in relativistic collisions with hydrogen and helium in the range of impact velocities v min ≤ v ≤ v max (v min and v max correspond to the threshold energy ε th for electron loss in collisions with a free electron and to ≈5 ε th, respectively) where any reliable data for loss cross sections are absent. In this range, where the loss process is characterized by large momentum transfers, we express it in terms of electron loss in collisions with equivelocity protons and electrons and explore by performing a detailed comparative study of these subprocesses. Our results, in particular, show that: (i) compared to equivelocity electrons protons are more effective in inducing electron loss, (ii) the relative effectiveness of electron projectiles grows with increase in the atomic number of a HCI, (iii) collisions with protons and electrons lead to a qualitatively different population of the final-state-electron momentum space and even when the total loss cross sections in these collisions become already equal the spectra of the outgoing electrons still remain quite different in almost the entire volume of the final-state-electron momentum space, (iv) in collisions with hydrogen and helium the contributions to the loss process from the interactions with the nucleus and the electron(s) of the atom could be rather well separated in a substantial part of the final-state-electron momentum space.

Atomic hydrogen storage method and apparatus

Science.gov (United States)

Woollam, J. A. (Inventor)

1980-01-01

Atomic hydrogen, for use as a fuel or as an explosive, is stored in the presence of a strong magnetic field in exfoliated layered compounds such as molybdenum disulfide or an elemental layer material such as graphite. The compounds maintained at liquid helium temperatures and the atomic hydrogen is collected on the surfaces of the layered compound which are exposed during delamination (exfoliation). The strong magnetic field and the low temperature combine to prevent the atoms of hydrogen from recombining to form molecules.

Oscillator representation method in the theory of a hydrogen atom in an external field

International Nuclear Information System (INIS)

Dinejkhan, M.

1996-01-01

The Wick-ordering method called the Oscillator representation in the non-relativistic Schroedinger equation is proposed to calculate the energy spectrum for spherically symmetric and axially symmetric potentials allowing the existence of a bound state. In particular, the method is applied to calculate the energy spectrum of (2s)-states of a hydrogen atom in a uniform magnetic field of an arbitrary strength. In the perturbation (external field) approximation, the energy spectrum of the so-called quadratic and spherical quadratic Zeeman problem and the problem of a hydrogen atom in a generalized van der Waals potential is calculated analytically. The results of the zeroth approximation of oscillator representation are in good agreement with the exact values. 31 refs., 3 tabs

Enhancing atom densities in solid hydrogen by isotopic substitution

International Nuclear Information System (INIS)

Collins, G.W.; Souers, P.C.; Mapoles, E.R.; Magnotta, F.

1991-01-01

Atomic hydrogen inside solid H 2 increases the energy density by 200 MegaJoules/m 3 , for each percent mole fraction stored. How many atoms can be stored in solid hydrogen? To answer this, we need to know: (1) how to produce and trap hydrogen atoms in solid hydrogen, (2) how to keep the atoms from recombining into the ground molecular state, and (3) how to measure the atom density in solid hydrogen. Each of these topics will be addressed in this paper. Hydrogen atoms can be trapped in solid hydrogen by co-condensing atoms and molecules, external irradiation of solid H 2 , or introducing a radioactive impurity inside the hydrogen lattice. Tritium, a heavy isotope of hydrogen, is easily condensed as a radioactive isotopic impurity in solid H 2 . Although tritium will probably not be used in future rockets, it provides a way of applying a large, homogenious dose to solid hydrogen. In all of the data presented here, the atoms are produced by the decay of tritium and thus knowing how many atoms are produced from the tritium decay in the solid phase is important. 6 refs., 6 figs

HYDROGEN VACANCY INTERACTION IN MOLYBDENUM

NARCIS (Netherlands)

Abd El Keriem, M.S.; van der Werf, D.P.; Pleiter, F

1993-01-01

Vacancy-hydrogen interaction in molybdenum was investigated by means of the perturbed angular correlation technique, using the isotope In-111 as a probe. The complex InV2 turned out to trap up to two hydrogen atoms: trapping of a single hydrogen atom gives rise to a decrease of the quadrupole

Classical calculation of radiative lifetimes of atomic hydrogen in a homogeneous magnetic field

International Nuclear Information System (INIS)

Horbatsch, M.W.; Hessels, E.A.; Horbatsch, M.

2005-01-01

Radiative lifetimes of hydrogenic atoms in a homogeneous magnetic field of moderate strength are calculated on the basis of classical radiation. The modifications of the Keplerian orbits due to the magnetic field are incorporated by classical perturbation theory. The model is complemented by a classical radiative decay calculation using the radiated Larmor power. A recently derived highly accurate formula for the transition rate of a field-free hydrogenic state is averaged over the angular momentum oscillations caused by the magnetic field. The resulting radiative lifetimes for diamagnetic eigenstates classified by n,m and the diamagnetic energy shift C compare well with quantum results

Complex energies from real perturbation series for the LoSurdo-Stark effect in hydrogen by Borel-Pade approximants

Energy Technology Data Exchange (ETDEWEB)

Franceschini, V.; Grecchi, V.; Silverstone, H.J.

1985-09-01

The resonance energies for the hydrogen atom in an electric field, both the real and imaginary parts, have been calculated together from the real Rayleigh-Schroedinger perturbation series by Borel summation. Pade approximants were used to evaluate the Borel transform. The numerical results compare well with values obtained by the complex-coordinate variational method and by sequential use of Pade approximants.

Ganoderma-Like MoS2 /NiS2 with Single Platinum Atoms Doping as an Efficient and Stable Hydrogen Evolution Reaction Catalyst.

Science.gov (United States)

Guan, Yongxin; Feng, Yangyang; Wan, Jing; Yang, Xiaohui; Fang, Ling; Gu, Xiao; Liu, Ruirui; Huang, Zhengyong; Li, Jian; Luo, Jun; Li, Changming; Wang, Yu

2018-05-27

Herein, a unique ganoderma-like MoS 2 /NiS 2 hetero-nanostructure with isolated Pt atoms anchored is reported. This novel ganoderma-like heterostructure can not only efficiently disperse and confine the few-layer MoS 2 nanosheets to fully expose the edge sites of MoS 2 , and provide more opportunity to capture the Pt atoms, but also tune the electronic structure to modify the catalytic activity. Because of the favorable dispersibility and exposed large specific surface area, single Pt atoms can be easily anchored on MoS 2 nanosheets with ultrahigh loading of 1.8 at% (the highest is 1.3 at% to date). Owing to the ganoderma-like structure and platinum atoms doping, this catalyst shows Pt-like catalytic activity for the hydrogen evolution reaction with an ultralow overpotential of 34 mV and excellent durability of only 2% increase in overpotential for 72 h under the constant current density of 10 mA cm -2 . © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical reaction between single hydrogen atom and graphene

International Nuclear Information System (INIS)

Ito, Atsushi; Nakamura, Hiroaki; Takayama, Arimichi

2007-04-01

We study chemical reaction between a single hydrogen atom and a graphene, which is the elemental reaction between hydrogen and graphitic carbon materials. In the present work, classical molecular dynamics simulation is used with modified Brenner's empirical bond order potential. The three reactions, that is, absorption reaction, reflection reaction and penetration reaction, are observed in our simulation. Reaction rates depend on the incident energy of the hydrogen atom and the graphene temperature. The dependence can be explained by the following mechanisms: (1) The hydrogen atom receives repulsive force by π-electrons in addition to nuclear repulsion. (2) Absorbing the hydrogen atom, the graphene transforms its structure to the 'overhand' configuration such as sp 3 state. (3) The hexagonal hole of the graphene is expanded during the penetration of the hydrogen atom. (author)

Force on an electric/magnetic dipole and classical approach to spin-orbit coupling in hydrogen-like atoms

Science.gov (United States)

Kholmetskii, A. L.; Missevitch, O. V.; Yarman, T.

2017-09-01

We carry out the classical analysis of spin-orbit coupling in hydrogen-like atoms, using the modern expressions for the force and energy of an electric/magnetic dipole in an electromagnetic field. We disclose a novel physical meaning of this effect and show that for a laboratory observer the energy of spin-orbit interaction is represented solely by the mechanical energy of the spinning electron (considered as a gyroscope) due to the Thomas precession of its spin. Concurrently we disclose some errors in the old and new publications on this subject.

Cascade Processes in Muonic Hydrogen Atoms

International Nuclear Information System (INIS)

Faifman, M. P.; Men'Shikov, L. I.

2001-01-01

The QCMC scheme created earlier for cascade calculations in heavy hadronic atoms of hydrogen isotopes has been modified and applied to the study of cascade processes in the μp muonic hydrogen atoms. The distribution of μp atoms over kinetic energies has been obtained and the yields of K-series X-rays per one stopped muon have been calculated.Comparison with experimental data indicated directly that for muonic and pionic atoms new types of non-radiative transitions are essential, while they are negligible for heavy (kaonic, antiprotonic, etc.) atoms. These processes have been considered and their probabilities have been estimated.

Hydrogen atom in phase space: the Wigner representation

International Nuclear Information System (INIS)

Praxmeyer, Ludmila; Mostowski, Jan; Wodkiewicz, Krzysztof

2006-01-01

The hydrogen atom is a fundamental exactly soluble system for which the Wigner function, being a quantum analogue of the joint probability distribution of position and momentum, is unknown. In this paper, we present an effective method of calculating the Wigner function, for all bound states of the nonrelativistic hydrogen atom. The formal similarity between the eigenfunctions of the nonrelativistic hydrogen atom in the momentum representation and the Klein-Gordon propagator has allowed the calculation of the Wigner function for an arbitrary bound state of the hydrogen atom, using a simple atomic integral as a generator. These Wigner functions for some low-lying states are depicted and discussed

Reaction of hydrogen atoms with acrylaldehyde

International Nuclear Information System (INIS)

Koda, Seiichiro; Nakamura, Kazumoto; Hoshino, Takashi; Hikita, Tsutomu

1978-01-01

The reaction of hydrogen atoms with acrylaldehyde was investigated in a fast flow reactor equipped with a time-of-flight type mass spectrometer under reduced pressure. Main reaction products were carbon monoxide, ethylene, ethane, methane, and propanal. Consideration of the distributions of the reaction products under various reaction conditions showed that hydrogen atoms attacked the C=C double bond, especially its inner carbon side under reduced pressure. Resulting hot radicals caused subsequent reactions. The relative value of the apparent bimolecular rate constant of the reaction against that of trans-2-butene with hydrogen atoms was 1.6+-0.2, which supported the above-mentioned initial reaction. (auth.)

One- and two-photon ionization of hydrogen atom embedded in Debye plasmas

International Nuclear Information System (INIS)

Chang, T. N.; Fang, T. K.; Ho, Y. K.

2013-01-01

We present a detailed analysis of the plasma-induced resonance-like atomic structures near the ionization threshold in one- and two-photon ionization of hydrogen atom. Such resonance-like structures result from the migration of the upper bound excited states of bound-bound atomic transitions into the continuum due to the less attractive screened Coulomb potential which simulates the external environmental effect for an atom embedded in Debye plasma. The change from the resonance-like narrow structures into broad continuous spectra as the plasma effect increases could be accounted for by the overlap between the respective wavefunctions of the atomic electron in the initial state and its corresponding outgoing ionized state in the continuum

Ionisation of hydrogen-like atoms by a multiphoton absorption process; Ionisation des atomes hydrogenoides par un processus d'absorption multiphotonique

Energy Technology Data Exchange (ETDEWEB)

Gontier, Y; Trahin, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1967-07-01

The general expression for the amplitude of the probability of ionisation by a multiphoton absorption process is derived. Its non-relativistic limit is taken and the bipolar approximation is used for calculating the ionisation cross-section of hydrogen-like atoms. This latter involves the summation over intermediate virtual states by means of: a) a recursion relationship concerning angular functions, b) a particular technique which when applied to radial functions makes it possible to solve a system of inhomogeneous first-order differential equations. (authors) [French] On etablit l'expression generale de l'amplitude de probabilite d'ionisation par un processus d'absorption multiphotonique. On en prend la limite non-relativiste et l'on utilise l'approximation dipolaire avant de calculer la section efficace d'ionisation d'atomes hydrogenoides. Cette derniere fait intervenir des sommations sur des etats virtuels intermediaires effectuees a l'aide: a) d'une relation de recurrence qui concerne les fonctions angulaires, b) d'une technique particuliere qui, appliquee aux fonctions radiales, conduit a resoudre un systeme d'equations differentielles inhomogenes du premier ordre. (auteur)

Surface and electron emission properties of hydrogen-free diamond-like carbon films investigated by atomic force microscopy

International Nuclear Information System (INIS)

Liu Dongping; Zhang, Sam; Ong, S.-E.; Benstetter, Guenther; Du Hejun

2006-01-01

In this study, we have deposited hydrogen-free diamond-like carbon (DLC) films by using DC magnetron sputtering of graphite target at various r.f. bias voltages. Surface and nanoscale emission properties of these DLC films have been investigated using a combination of atomic force microscopy (AFM)-based nanowear tests and conducting-AFM, by simultaneously measuring the topography and the conductivity of the samples. Nanowear tests show that these DLC films are covered with the thin (1.5-2.0 nm) graphite-like layers at surfaces. Compared to the film bulk structure, the graphite-like surface layers are more conductive. The graphite-like surface layers significantly influence the electron emission properties of these films. Low-energy carbon species can be responsible for the formation of graphite-like surface layers. Nanoscale electron emission measurements have revealed the inhomogeneous emission nature of these films. The low-field emission from these films can be attributed to the existence of sp 2 -configured nanoclusters inside the films

ASACUSA: the first beam of anti-hydrogen atoms

International Nuclear Information System (INIS)

2014-01-01

The ASACUSA experiment at CERN has produced for the first time a beam of anti-hydrogen atoms, 80 atoms of anti-hydrogen have been detected at a distance of 2.7 meters away from their production place which is the true achievement of this experiment. The ASACUSA team has developed an innovative device that allows the transfer of the anti-hydrogen atoms in a place where they can be studied in flight, away from the intense magnetic field that was necessary to produce them but affect their spectroscopic properties. Anti-hydrogen atoms are made up of anti-electrons and anti-protons, according to the theory their spectrum must be identical to that of hydrogen atoms and any difference that might be detected by the ASACUSA experiment may shed light on the matter-antimatter asymmetry issue. (A.C.)

Atomic hydrogen cleaning of EUV multilayer optics

Science.gov (United States)

Graham, Samuel, Jr.; Steinhaus, Charles A.; Clift, W. Miles; Klebanoff, Leonard E.; Bajt, Sasa

2003-06-01

Recent studies have been conducted to investigate the use of atomic hydrogen as an in-situ contamination removal method for EUV optics. In these experiments, a commercial source was used to produce atomic hydrogen by thermal dissociation of molecular hydrogen using a hot filament. Samples for these experiments consisted of silicon wafers coated with sputtered carbon, Mo/Si optics with EUV-induced carbon, and bare Si-capped and Ru-B4C-capped Mo/Si optics. Samples were exposed to an atomic hydrogen source at a distance of 200 - 500 mm downstream and angles between 0-90° with respect to the source. Carbon removal rates and optic oxidation rates were measured using Auger electron spectroscopy depth profiling. In addition, at-wavelength peak reflectance (13.4 nm) was measured using the EUV reflectometer at the Advanced Light Source. Data from these experiments show carbon removal rates up to 20 Å/hr for sputtered carbon and 40 Å/hr for EUV deposited carbon at a distance of 200 mm downstream. The cleaning rate was also observed to be a strong function of distance and angular position. Experiments have also shown that the carbon etch rate can be increased by a factor of 4 by channeling atomic hydrogen through quartz tubes in order to direct the atomic hydrogen to the optic surface. Atomic hydrogen exposures of bare optic samples show a small risk in reflectivity degradation after extended periods. Extended exposures (up to 20 hours) of bare Si-capped Mo/Si optics show a 1.2% loss (absolute) in reflectivity while the Ru-B4C-capped Mo/Si optics show a loss on the order of 0.5%. In order to investigate the source of this reflectivity degradation, optic samples were exposed to atomic deuterium and analyzed using low energy ion scattering direct recoil spectroscopy to determine any reactions of the hydrogen with the multilayer stack. Overall, the results show that the risk of over-etching with atomic hydrogen is much less than previous studies using RF discharge cleaning

Hirshfeld atom refinement for modelling strong hydrogen bonds.

Science.gov (United States)

Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A; Edwards, Alison J; Dominiak, Paulina M; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon

2014-09-01

High-resolution low-temperature synchrotron X-ray diffraction data of the salt L-phenylalaninium hydrogen maleate are used to test the new automated iterative Hirshfeld atom refinement (HAR) procedure for the modelling of strong hydrogen bonds. The HAR models used present the first examples of Z' > 1 treatments in the framework of wavefunction-based refinement methods. L-Phenylalaninium hydrogen maleate exhibits several hydrogen bonds in its crystal structure, of which the shortest and the most challenging to model is the O-H...O intramolecular hydrogen bond present in the hydrogen maleate anion (O...O distance is about 2.41 Å). In particular, the reconstruction of the electron density in the hydrogen maleate moiety and the determination of hydrogen-atom properties [positions, bond distances and anisotropic displacement parameters (ADPs)] are the focus of the study. For comparison to the HAR results, different spherical (independent atom model, IAM) and aspherical (free multipole model, MM; transferable aspherical atom model, TAAM) X-ray refinement techniques as well as results from a low-temperature neutron-diffraction experiment are employed. Hydrogen-atom ADPs are furthermore compared to those derived from a TLS/rigid-body (SHADE) treatment of the X-ray structures. The reference neutron-diffraction experiment reveals a truly symmetric hydrogen bond in the hydrogen maleate anion. Only with HAR is it possible to freely refine hydrogen-atom positions and ADPs from the X-ray data, which leads to the best electron-density model and the closest agreement with the structural parameters derived from the neutron-diffraction experiment, e.g. the symmetric hydrogen position can be reproduced. The multipole-based refinement techniques (MM and TAAM) yield slightly asymmetric positions, whereas the IAM yields a significantly asymmetric position.

Computationally efficient analytic representations of relativistic bound-bound, bound-unbound and unbound-unbound transition matrix elements of hydrogenic atoms

International Nuclear Information System (INIS)

Soldatov, A.; Seke, J.; Adam, G.; Polak, M.

2008-01-01

Full text: A closed analytic form for relativistic transition matrix elements between bound-bound, bound-unbound and unbound-unbound relativistic eigenstates of hydrogenic atoms by using the plane-wave expansion for the electromagnetic-field vector potential was derived in a form convenient for large-scale numerical calculations in QED. By applying the obtained formulae, these transition matrix elements can be evaluated analytically and numerically. These exact matrix elements, which to our knowledge have not been calculated as yet, are of great importance in the analysis of various atom-field interaction processes where retardation effects cannot be ignored. The ultimate goal of the ongoing research is to develop a general universal calculation technique for Seke's approximation and renormalization method in QED, for which the usage of the plane vector expansion for the vector potential is a preferable choice. However, our primary interest lies in the Lamb-shift calculation. Our nearest objective is to carry out the plain-style relativistic calculations of the Lamb shift of the energy levels of hydrogen-like atoms and ions from first principles in the second and higher perturbative orders, using the corresponding convenient as well as novel expressions for the magnitude in question as they stand, i.e. without any additional approximations. Due to that there is no way to achieve all the above-declared goals without recourse to large-scale laborious and time-consuming high-precision numerical calculations, having the transition matrix elements of all possible types in an analytic, convenient for their efficient numerical evaluation form, would be highly advantageous and even unavoidable, especially for calculations of various QED effects in higher perturbative orders be it, equally, in traditional or novel approach. (author)

Radial Matrix Elements of Hydrogen Atom and the Correspondence ...

Indian Academy of Sciences (India)

R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

Hydrogen excited states—radial matrix element—corres- ... atoms, its availability, production, its spectras, and importance in astrophysics (Dupree ... far away revolving lazily around in a slow orbit like a distant planet in the solar system. As the electron orbit diameter grows rapidly, its energy also decreases rapidly. Currently ...

Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

Science.gov (United States)

Borges, L. H. C.; Barone, F. A.

2016-02-01

Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schrödinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector.

Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

Energy Technology Data Exchange (ETDEWEB)

Borges, L.H.C. [Universidade Federal do ABC, Centro de Ciencias Naturais e Humanas, Santo Andre, SP (Brazil); Barone, F.A. [IFQ-Universidade Federal de Itajuba, Itajuba, MG (Brazil)

2016-02-15

Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)

Traces of Lorentz symmetry breaking in a hydrogen atom at ground state

International Nuclear Information System (INIS)

Borges, L.H.C.; Barone, F.A.

2016-01-01

Some traces of a specific Lorentz symmetry breaking scenario in the ground state of the hydrogen atom are investigated. We use standard Rayleigh-Schroedinger perturbation theory in order to obtain the corrections to the ground state energy and the wave function. It is shown that an induced four-pole moment arises, due to the Lorentz symmetry breaking. The model considered is the one studied in Borges et al. (Eur Phys J C 74:2937, 2014), where the Lorentz symmetry is broken in the electromagnetic sector. (orig.)

Dirac equation in noncommutative space for hydrogen atom

International Nuclear Information System (INIS)

Adorno, T.C.; Baldiotti, M.C.; Chaichian, M.; Gitman, D.M.; Tureanu, A.

2009-01-01

We consider the energy levels of a hydrogen-like atom in the framework of θ-modified, due to space noncommutativity, Dirac equation with Coulomb field. It is shown that on the noncommutative (NC) space the degeneracy of the levels 2S 1/2 , 2P 1/2 and 2P 3/2 is lifted completely, such that new transition channels are allowed.

Polarization measurement of atomic hydrogen beam spin-exchanged with optically oriented sodium atoms

International Nuclear Information System (INIS)

Ueno, Akira; Ogura, Kouichi; Wakuta, Yoshihisa; Kumabe, Isao

1988-01-01

The spin-exchange reaction between hydrogen atoms and optically oriented sodium atoms was used to produce a polarized atomic hydrogen beam. The electron-spin polarization of the atomic hydrogen beam, which underwent the spin-exchange reaction with the optically oriented sodium atoms, was measured. A beam polarization of -(8.0±0.6)% was obtained when the thickness and polarization of the sodium target were (5.78±0.23)x10 13 atoms/cm 2 and -(39.6±1.6)%, respectively. The value of the spin-exchange cross section in the forward scattering direction, whose scattering angle in the laboratory system was less than 1.0 0 , was obtained from the experimental results as Δσ ex =(3.39±0.34)x10 -15 cm 2 . This value is almost seven times larger than the theoretical value calculated from the Na-H potential. The potential was computed quantum mechanically in the space of the appropriate wave functions of the hydrogen and the sodium atoms. (orig./HSI)

Reaction kinetics of hydrogen atom abstraction from isopentanol by the H atom and HO2˙ radical.

Science.gov (United States)

Parab, Prajakta Rajaram; Heufer, K Alexander; Fernandes, Ravi Xavier

2018-04-25

Isopentanol is a potential next-generation biofuel for future applications to Homogeneous Charge Compression Ignition (HCCI) engine concepts. To provide insights into the combustion behavior of isopentanol, especially to its auto-ignition behavior which is linked both to efficiency and pollutant formation in real combustion systems, detailed quantum chemical studies for crucial reactions are desired. H-Abstraction reaction rates from fuel molecules are key initiation steps for chain branching required for auto-ignition. In this study, rate constants are determined for the hydrogen atom abstraction reactions from isopentanol by the H atom and HO2˙ radical by implementing the CBS-QB3 composite method. For the treatment of the internal rotors, a Pitzer-Gwinn-like approximation is applied. On comparing the computed reaction energies, the highest exothermicity (ΔE = -46 kJ mol-1) is depicted for Hα abstraction by the H atom whereas the lowest endothermicity (ΔE = 29 kJ mol-1) is shown for the abstraction of Hα by the HO2˙ radical. The formation of hydrogen bonding is found to affect the kinetics of the H atom abstraction reactions by the HO2˙ radical. Further above 750 K, the calculated high pressure limit rate constants indicate that the total contribution from delta carbon sites (Cδ) is predominant for hydrogen atom abstraction by the H atom and HO2˙ radical.

Atomic hydrogen effects on high-Tc superconductors

International Nuclear Information System (INIS)

Frantskevich, N.V.; Ulyashin, A.G.; Alifanov, A.V.; Stepanenko, A.V.; Fedotova, V.V.

1999-01-01

The atomic hydrogen effects on the properties of bulk high-temperature superconductors were investigated. It is shown that the insertion of the atomic hydrogen into the bulk of these materials from a DC plasma leads to the increase of the critical current density J c for YBaCuO(123) as well as for BiSrCaCuO(2223) high-temperature superconductors. It is found that the hydrogenation of the He implanted samples with following annealing leads to the optically detected blistering on the surface. It means that the textured thin subsurface layers of high-temperature superconductors can be formed by this method. The improvement of superconductivity by atomic hydrogen can be explained by the passivation of dangling bonds and defects on grain boundaries of these materials

The CERN polarized atomic hydrogen beam target project

International Nuclear Information System (INIS)

Kubischta, W.; Dick, L.

1990-01-01

The UA6-experiment at the CERN p bar p Colider is at present using an unpolarized hydrogen cluster target with a thickness up to 5.10 14 atoms/cm 2 . It is planned to replace this target by a polarized atomic hydrogen beam target with a thickness up to about 10 13 atoms/cm 2 . This paper discusses basic requirements and results of atom optical calculations

Dirac equation in noncommutative space for hydrogen atom

Energy Technology Data Exchange (ETDEWEB)

Adorno, T.C., E-mail: tadorno@nonada.if.usp.b [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05508-090 Sao Paulo, SP (Brazil); Baldiotti, M.C., E-mail: baldiott@fma.if.usp.b [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05508-090 Sao Paulo, SP (Brazil); Chaichian, M., E-mail: Masud.Chaichian@helsinki.f [Department of Physics, University of Helsinki and Helsinki Institute of Physics, PO Box 64, FIN-00014 Helsinki (Finland); Gitman, D.M., E-mail: gitman@dfn.if.usp.b [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05508-090 Sao Paulo, SP (Brazil); Tureanu, A., E-mail: Anca.Tureanu@helsinki.f [Department of Physics, University of Helsinki and Helsinki Institute of Physics, PO Box 64, FIN-00014 Helsinki (Finland)

2009-11-30

We consider the energy levels of a hydrogen-like atom in the framework of theta-modified, due to space noncommutativity, Dirac equation with Coulomb field. It is shown that on the noncommutative (NC) space the degeneracy of the levels 2S{sub 1/2}, 2P{sub 1/2} and 2P{sub 3/2} is lifted completely, such that new transition channels are allowed.

Atomic hydrogen storage. [cryotrapping and magnetic field strength

Science.gov (United States)

Woollam, J. A. (Inventor)

1980-01-01

Atomic hydrogen, for use as a fuel or as an explosive, is stored in the presence of a strong magnetic field in exfoliated layered compounds such as molybdenum disulfide or an elemental layer material such as graphite. The compound is maintained at liquid temperatures and the atomic hydrogen is collected on the surfaces of the layered compound which are exposed during delamination (exfoliation). The strong magnetic field and the low temperature combine to prevent the atoms of hydrogen from recombining to form molecules.

Atomic-scale observation of hydrogen-induced crack growth by atom-probe FIM

International Nuclear Information System (INIS)

Kuk, Y.; Pickering, H.W.; Sakurai, T.

1980-01-01

Formation and propagation of a microcrack due to hydrogen in a Fe-0.29 wt.% Ti alloy was observed at the atomic scale by field ion microscopy. A microcrack (-20 nm in length) formed and became noticeably large when the tip was heated at 950 0 C in the presence of about 1 torr of Hg. Propagation was reported several times by reheating, until a portion of the tip ruptured and became detached from the tip. Compositional analysis, performed in situ using a high performance atom-probe, identified atomic hydrogen in quantity and some hydrogen molecules and FEH in the crack, but not elsewhere on the surface

Hydrogen, oxygen and hydroxyl on porous silicon surface: A joint density-functional perturbation theory and infrared spectroscopy approach

International Nuclear Information System (INIS)

Alfaro, Pedro; Palavicini, Alessio; Wang, Chumin

2014-01-01

Based on the density functional perturbation theory (DFPT), infrared absorption spectra of porous silicon are calculated by using an ordered pore model, in which columns of silicon atoms are removed along the [001] direction and dangling bonds are initially saturated with hydrogen atoms. When these atoms on the pore surface are gradually replaced by oxygen ones, the ab-initio infrared absorption spectra reveal oxygen, hydroxyl, and coupled hydrogen–oxygen vibrational modes. In a parallel way, freestanding porous silicon samples were prepared by using electrochemical etching and they were further thermally oxidized in a dry oxygen ambient. Fourier transform infrared spectroscopy was used to investigate the surface modifications caused by oxygen adsorption. In particular, the predicted hydroxyl and oxygen bound to the silicon pore surface are confirmed. Finally, a global analysis of measured transmittance spectra has been performed by means of a combined DFPT and thin-film optics approach. - Highlights: • The density functional perturbation theory is used to study infrared absorption. • An ordered pore model is used to investigate the oxidation in porous silicon (PSi). • Infrared transmittance spectra of oxidized PSi freestanding samples are measured

Spectrum of hydrogen atom, Niels Bohr and their impact on contemporary science: a glimpse of modern spectroscopy

International Nuclear Information System (INIS)

Sastry, M.D.

2013-01-01

This contribution reviews developments in the atomic spectroscopy subsequent to Bohr's model. This follows a brief description of Bohr's model of hydrogen atom that accounts for sharp line spectra of hydrogen atom. The developments include the effects of electron and nuclear spins, spectroscopy of multi electron atom which involve electron-electron repulsion and different angular momentum coupling schemes. More recently, Bohr's atom model has found application to processes at nano dimensions of semiconducting materials. It has now become possible to create a hydrogen-like atom, an exciton, with its size comparable or even more than that of the particle it self. This brings in extra quantization and has profound effects on the motion of the particles involved viz electron and hole. (author)

Atomic hydrogen determination in medium-pressure microwave discharge hydrogen plasmas via emission actinometry

International Nuclear Information System (INIS)

Geng Zicai; Xu Yong; Yang Xuefeng; Wang Weiguo; Zhu Aimin

2005-01-01

Atomic hydrogen plays an important role in the chemical vapour deposition of functional materials, plasma etching and new approaches to the chemical synthesis of hydrogen-containing compounds. This work reports experimental determinations of atomic hydrogen in microwave discharge hydrogen plasmas formed from the TM 01 microwave mode in an ASTeX-type reactor, via optical emission spectroscopy using Ar as an actinometer. The relative intensities of the H atom Balmer lines and Ar-750.4 nm emissions as functions of input power and gas pressure have been investigated. At an input microwave power density of 13.5 W cm -3 , the approximate hydrogen dissociation fractions calculated from electron-impact excitation and quenching cross sections in the literature, decreased from ∼0.08 to ∼0.03 as the gas pressure was increased from 5 to 25 Torr. The influences of the above cross sections, and the electron and gas temperatures of the plasmas on the determination of the hydrogen dissociation fraction data have been discussed

Semiclassical treatment of laser excitation of the hydrogen atom

DEFF Research Database (Denmark)

Billing, Gert D.; Henriksen, Niels Engholm; Leforestier, C.

1992-01-01

We present an alternative method for studying excitation of atoms in intense laser fields. In the present paper we focus upon the optical harmonic generation by hydrogen atoms.......We present an alternative method for studying excitation of atoms in intense laser fields. In the present paper we focus upon the optical harmonic generation by hydrogen atoms....

The behaviour of hydrogen-like atoms in an intense long-wave field

International Nuclear Information System (INIS)

Brodsky, A.M.

1979-01-01

The equations, which permit the calculation by means of regular operations of multiphoton photoionisation cross sections and the dynamic polarisabilities in an intense classical long-wave electromagnetic field, are considered for a hydrogen atom. The calculations have been performed for a circularly polarised field. A quantitative expression has been derived for the Lamb shift analogue, which can be verified experimentally. Within the framework of the problem the interaction at small distances is self-compensated and reduced to a constant potential. This conclusion is of general interest for the theory of strong interactions. (author)

Control of entanglement following the photoionization of trapped, hydrogen-like ions

International Nuclear Information System (INIS)

Radtke, Thomas; Fritzsche, Stephan; Surzhykov, Andrey

2005-01-01

Density matrix theory is applied to re-investigate the entanglement in the spin state of pairs of electrons following the photoionization of trapped, hydrogen-like ions. For the ionization of one out of two non-interacting atoms, in particular, we analyzed how the entanglement between the electrons is changed owing to their interaction with the radiation field. Detailed calculations on the concurrence of the final spin-state of the electrons have been performed for the photoionization of hydrogen as well as for hydrogen-like Xe 53+ and U 91+ ions. From these computations it is shown that the degree of entanglement, which is quite well preserved for neutral hydrogen, will be strongly affected by relativistic and non-dipole effects of the radiation field as the nuclear charge of the ions is increased

Photoionization microscopy of hydrogen atom near a metal surface

International Nuclear Information System (INIS)

Yang Hai-Feng; Wang Lei; Liu Xiao-Jun; Liu Hong-Ping

2011-01-01

We have studied the ionization of Rydberg hydrogen atom near a metal surface with a semiclassical analysis of photoionization microscopy. Interference patterns of the electron radial distribution are calculated at different scaled energies above the classical saddle point and at various atom—surface distances. We find that different types of trajectories contribute predominantly to different manifolds in a certain interference pattern. As the scaled energy increases, the structure of the interference pattern evolves smoothly and more types of trajectories emerge. As the atom approaches the metal surface closer, there are more types of trajectories contributing to the interference pattern as well. When the Rydberg atom comes very close to the metal surface or the scaled energy approaches the zero field ionization energy, the potential induced by the metal surface will make atomic system chaotic. The results also show that atoms near a metal surface exhibit similar properties like the atoms in the parallel electric and magnetic fields. (atomic and molecular physics)

Collisional excitation of ArH+ by hydrogen atoms

Science.gov (United States)

Dagdigian, Paul J.

2018-06-01

The rotational excitation of the 36ArH+ ion in collisions with hydrogen atoms is investigated in this work. The potential energy surface (PES) describing the 36ArH+-H interaction, with the ion bond length r fixed at the average of r over the radial v = 0 vibrational state distribution, was obtained with a coupled cluster method that included single, double, and (perturbatively) triple excitations [RCCSD(T)]. A deep minimum (De = 3135 cm-1) in the PES was found in linear H-ArH+ geometry at an ion-atom separation Re = 4.80a0. Energy-dependent cross-sections and rate coefficients as a function of temperature for this collision pair were computed in close-coupling (CC) calculations. Since the PES possesses a deep well, this is a good system to test the performance of the quantum statistical (QS) method developed by Manolopoulos and co-workers as a more efficient method to compute the cross-sections. Good agreement was found between rate coefficients obtained by the CC and QS methods at several temperatures. In a simple application, the excitation of ArH+ is simulated for conditions under which this ion is observed in absorption.

Dimensional perturbation theory for the two-electron atom

International Nuclear Information System (INIS)

Goodson, D.Z.

1987-01-01

Perturbation theory in δ = 1/D, where D is the dimensionality of space, is applied to the two-electron atom. In Chapter 1 an efficient procedure for calculating the coefficients of the perturbation series for the ground-state energy is developed using recursion relations between the moments of the coordinate operators. Results through tenth order are presented. The series is divergent, but Pade summation gives results comparable in accuracy to the best configuration-interaction calculations. The singularity structure of the Pade approximants confirms the hypothesis that the energy as a function of δ has an infinite sequence of poles on the negative real axis that approaches an essential singularity at δ = O. The essential singularity causes the divergence of the perturbation series. There are also two poles at δ = 1 that slow the asymptotic convergence of the low-order terms. In Chapter 2, various techniques are demonstrated for removing the effect of these poles, and accurate results are thereby obtained, even at very low order. In Chapter 3, the large D limit of the correlation energy (CE) is investigated. In the limit D → infinity it is only 35% smaller than at D = 3. It can be made to vanish in the limit by modifying the Hartree-Fock (HF) wavefunction. In Chapter 4, perturbation theory is applied to the Hooke's-law model of the atom. Prospects for treating more-complicated systems are briefly discussed

Atlas cross section for scattering of muonic hydrogen atoms on hydrogen isotope molecules

International Nuclear Information System (INIS)

Adamczak, A.; Faifman, M.P.; Ponomarev, L.I.

1996-01-01

The total cross sections of the elastic, spin-flip, and charge-exchange processes for the scattering of muonic hydrogen isotope atoms (pμ, dμ, tμ) in the ground state on the hydrogen isotope molecules (H 2 , D 2 , T 2 , HD, HT, DT) are calculated. The scattering cross sections of muonic hydrogen isotope atoms on hydrogen isotope nuclei obtained earlier in the multichannel adiabatic approach are used in the calculations. Molecular effects (electron screening, rotational and vibrational excitations of target molecules, etc.) are taken into account. The spin effects of the target molecules and of the incident muonic atoms are included. the cross sections are averaged over the Boltzmann distribution of the molecule rotational states and the Maxwellian distribution of the target molecule kinetic energies for temperatures 30, 100, 300, and 1000 K. The cross sections are given for kinetic energies of the incident muonic atoms ranging from 0.001 to 100 eV in the laboratory frame. 45 refs., 6 tabs

Complex operator method of the hydrogen atom

International Nuclear Information System (INIS)

Jiang, X.

1989-01-01

Frequently the hydrogen atom eigenvalue problem is analytically solved by solving a radial wave equation for a particle in a Coulomb field. In this article, complex coordinates are introduced, and an expression for the energy levels of the hydrogen atom is obtained by means of the algebraic solution of operators. The form of this solution is in accord with that of the analytical solution

Interaction of GaN epitaxial layers with atomic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Losurdo, M.; Giangregorio, M.M.; Capezzuto, P.; Bruno, G.; Namkoong, G.; Doolittle, W.A.; Brown, A.S

2004-08-15

GaN surface passivation processes are still under development and among others hydrogen treatments are investigated. In this study, we use non-destructive optical and electrical probes such as spectroscopic ellipsometry (SE) and surface potential Kelvin probe microscopy (SP-KPM) in conjunction with non-contact atomic force microscopy (AFM) for the study of the different reactivity of Ga-polar and N-polar GaN epitaxial layers with atomic hydrogen. The GaN epitaxial layers are grown by molecular beam epitaxy on sapphire (0 0 0 1) substrates, and GaN and AlN buffer layers are used to grow N-polar and Ga-polar films, respectively. The atomic hydrogen is produced by a remote rf (13.56 MHz) H{sub 2} plasma in order to rule out any ion bombardment of the GaN surface and make the interaction chemical. It is found that the interaction of GaN surfaces with atomic hydrogen depends on polarity, with N-polar GaN exhibiting greater reactivity. Furthermore, it is found that atomic hydrogen is effective in the passivation of grain boundaries and surface defects states.

Interaction of GaN epitaxial layers with atomic hydrogen

International Nuclear Information System (INIS)

Losurdo, M.; Giangregorio, M.M.; Capezzuto, P.; Bruno, G.; Namkoong, G.; Doolittle, W.A.; Brown, A.S.

2004-01-01

GaN surface passivation processes are still under development and among others hydrogen treatments are investigated. In this study, we use non-destructive optical and electrical probes such as spectroscopic ellipsometry (SE) and surface potential Kelvin probe microscopy (SP-KPM) in conjunction with non-contact atomic force microscopy (AFM) for the study of the different reactivity of Ga-polar and N-polar GaN epitaxial layers with atomic hydrogen. The GaN epitaxial layers are grown by molecular beam epitaxy on sapphire (0 0 0 1) substrates, and GaN and AlN buffer layers are used to grow N-polar and Ga-polar films, respectively. The atomic hydrogen is produced by a remote rf (13.56 MHz) H 2 plasma in order to rule out any ion bombardment of the GaN surface and make the interaction chemical. It is found that the interaction of GaN surfaces with atomic hydrogen depends on polarity, with N-polar GaN exhibiting greater reactivity. Furthermore, it is found that atomic hydrogen is effective in the passivation of grain boundaries and surface defects states

Fast automated placement of polar hydrogen atoms in protein-ligand complexes

Directory of Open Access Journals (Sweden)

Lippert Tobias

2009-08-01

Full Text Available Abstract Background Hydrogen bonds play a major role in the stabilization of protein-ligand complexes. The ability of a functional group to form them depends on the position of its hydrogen atoms. An accurate knowledge of the positions of hydrogen atoms in proteins is therefore important to correctly identify hydrogen bonds and their properties. The high mobility of hydrogen atoms introduces several degrees of freedom: Tautomeric states, where a hydrogen atom alters its binding partner, torsional changes where the position of the hydrogen atom is rotated around the last heavy-atom bond in a residue, and protonation states, where the number of hydrogen atoms at a functional group may change. Also, side-chain flips in glutamine and asparagine and histidine residues, which are common crystallographic ambiguities must be identified before structure-based calculations can be conducted. Results We have implemented a method to determine the most probable hydrogen atom positions in a given protein-ligand complex. Optimality of hydrogen bond geometries is determined by an empirical scoring function which is used in molecular docking. This allows to evaluate protein-ligand interactions with an established model. Also, our method allows to resolve common crystallographic ambiguities such as as flipped amide groups and histidine residues. To ensure high speed, we make use of a dynamic programming approach. Conclusion Our results were checked against selected high-resolution structures from an external dataset, for which the positions of the hydrogen atoms have been validated manually. The quality of our results is comparable to that of other programs, with the advantage of being fast enough to be applied on-the-fly for interactive usage or during score evaluation.

Manganese-Oxygen Intermediates in O-O Bond Activation and Hydrogen-Atom Transfer Reactions.

Science.gov (United States)

Rice, Derek B; Massie, Allyssa A; Jackson, Timothy A

2017-11-21

step in designing Mn III -peroxo complexes that convert cleanly to high-valent Mn-oxo species. Although some synthetic Mn IV -oxo complexes show great potential for oxidizing substrates with strong C-H bonds, most Mn IV -oxo species are sluggish oxidants. Both two-state reactivity and thermodynamic arguments have been put forth to explain these observations. To address these issues, we generated a series of Mn IV -oxo complexes supported by neutral, pentadentate ligands with systematically perturbed equatorial donation. Kinetic investigations of these complexes revealed a correlation between equatorial ligand-field strength and hydrogen-atom and oxygen-atom transfer reactivity. While this trend can be understood on the basis of the two-state reactivity model, the reactivity trend also correlates with variations in Mn III/IV reduction potential caused by changes in the ligand field. This work demonstrates the dramatic influence simple ligand perturbations can have on reactivity but also illustrates the difficulties in understanding the precise basis for a change in reactivity. In the enzyme manganese lipoxygenase, an active-site Mn III -hydroxo adduct initiates substrate oxidation by abstracting a hydrogen atom from a C-H bond. Precedent for this chemistry from synthetic Mn III -hydroxo centers is rare. To better understand hydrogen-atom transfer by Mn III centers, we developed a pair of Mn III -hydroxo complexes, formed in high yield from dioxygen oxidation of Mn II precursors, capable of attacking weak O-H and C-H bonds. Kinetic and computational studies show a delicate interplay between thermodynamic and steric influences in hydrogen-atom transfer reactivity, underscoring the potential of Mn III -hydroxo units as mild oxidants.

Hydrogen atom temperature measured with wavelength-modulated laser absorption spectroscopy in large scale filament arc negative hydrogen ion source

International Nuclear Information System (INIS)

Nakano, H.; Goto, M.; Tsumori, K.; Kisaki, M.; Ikeda, K.; Nagaoka, K.; Osakabe, M.; Takeiri, Y.; Kaneko, O.; Nishiyama, S.; Sasaki, K.

2015-01-01

The velocity distribution function of hydrogen atoms is one of the useful parameters to understand particle dynamics from negative hydrogen production to extraction in a negative hydrogen ion source. Hydrogen atom temperature is one of the indicators of the velocity distribution function. To find a feasibility of hydrogen atom temperature measurement in large scale filament arc negative hydrogen ion source for fusion, a model calculation of wavelength-modulated laser absorption spectroscopy of the hydrogen Balmer alpha line was performed. By utilizing a wide range tunable diode laser, we successfully obtained the hydrogen atom temperature of ∼3000 K in the vicinity of the plasma grid electrode. The hydrogen atom temperature increases as well as the arc power, and becomes constant after decreasing with the filling of hydrogen gas pressure

Hydrogen atom model for nucleon and pion

International Nuclear Information System (INIS)

Baiquni, A.

1976-01-01

Discussion on Dion as double charge particle, covering that on semi classical model, proton Dionium model consequence, symmetry group in hydrogen, hydrogen atom dynamic group, and discussion on relativistic dynamic group, covering relativistic equation for hydrogen, operator extension of SO(4, 2), application of SO(4,2)O SO(4,2), and hydrogen complete equation, are given. (author)

Matrix effect on hydrogen-atom tunneling of organic molecules in cryogenic solids

International Nuclear Information System (INIS)

Ichikawa, Tsuneki

2000-01-01

Although the tunneling of atoms through potential energy barriers separating the reactant and reaction systems is not paid much attention in organic reactions, this plays an important role in reactions including the transfer of light atoms. Atomic tunneling is especially important for chemical reactions at low temperatures, since the thermal activation of reactant systems is very slow process in comparison with the tunneling. One of the typical reactions of atomic tunneling is hydrogen-atom abstraction from alkanes in cryogenic solids exposed to high-energy radiation. Irradiation of alkane molecules causes the homolytic cleavage of C-H bonds, which results in the pairwise formation of free hydrogen atoms and organic free radicals. Since the activation energies for the abstraction of hydrogen atoms from alkane molecules by free hydrogen atoms are higher than 5 kcal/mol, the lifetime of free hydrogen atoms at 77 K is estimated from the Arrhenius equation of k=vexp(-E a /RT) to be longer than 10 hrs. However, except for solid methane, free hydrogen atoms immediately convert to alkyl radicals even at 4.2 K by hydrogen-atom tunneling from alkane molecules to the free hydrogen atoms. The rate of hydrogen atom tunneling does not necessary increase with decreasing activation energy or the peak height of the potential energy barrier preventing the tunneling. Although the activation energy is the lowest at the tertiary carbon of alkanes, hydrogen atom tunneling from branched alkanes with tertiary carbon at the antepenultimate position of the carbon skeleton is the fastest at the secondary penultimate carbon. Based on our experimental results, we have proposed that the peculiarity of the hydrogen-atom abstraction in cryogenic solids comes from the steric hindrance by matrix molecules to the deformation of alkane molecules from the initial sp 3 to the final sp 2 configurations. The steric hindrance causes the increase of the height of the potential energy barrier for the

Chemical reduction of refractory oxides by atomic hydrogen

International Nuclear Information System (INIS)

Dooley, D.; Balooch, M.; Olander, D.R.

1978-11-01

The chemical reduction of UO 2 and Al 2 O 3 by atomic hydrogen was studied. Results of the UO 2 /H investigation indicates that reduction of UO 2 by atomic hydrogen proceeds by the production of water vapor and hypostoichiometric urania. Water vapor and aluminum metal are formed in the Al 2 O 3 /H system. The relative ease which UO 2 is reduced by atomic hydrogen compared with Al 2 O 3 is due to two factors. The first is related to the thermochemistry of the reactions. The second factor which favors efficient reduction of UO 2 but not of Al 2 O 3 is the oxygen diffusivity

Hydrogen atom as a quantum-classical hybrid system

International Nuclear Information System (INIS)

Zhan, Fei; Wu, Biao

2013-01-01

Hydrogen atom is studied as a quantum-classical hybrid system, where the proton is treated as a classical object while the electron is regarded as a quantum object. We use a well known mean-field approach to describe this hybrid hydrogen atom; the resulting dynamics for the electron and the proton is compared to their full quantum dynamics. The electron dynamics in the hybrid description is found to be only marginally different from its full quantum counterpart. The situation is very different for the proton: in the hybrid description, the proton behaves like a free particle; in the fully quantum description, the wave packet center of the proton orbits around the center of mass. Furthermore, we find that the failure to describe the proton dynamics properly can be regarded as a manifestation of the fact that there is no conservation of momentum in the mean-field hybrid approach. We expect that such a failure is a common feature for all existing approaches for quantum-classical hybrid systems of Born-Oppenheimer type.

High efficiency atomic hydrogen source

International Nuclear Information System (INIS)

Lagomarsino, V.; Bassi, D.; Bertok, E.; De Paz, M.; Tommasini, F.

1974-01-01

This work presents preliminary results of research intended to produce a M.W. discharge atomic hydrogen source with good dissociation at pressures larger than 10 torr. Analysis of the recombination process at these pressures shows that the volume recombination by three body collisions may be more important than wall recombination or loss of atoms by diffusion and flow outside the discharge region

Photoionization of the hydrogen atom in strong magnetic fields

Science.gov (United States)

Potekhin, Aleksandr IU.; Pavlov, George G.

1993-01-01

The photoionization of the hydrogen atom in magnetic fields B about 10 exp 11 - 10 exp 13 G typical of the surface layers of neutron stars is investigated analytically and numerically. We consider the photoionization from various tightly bound and hydrogen-like states of the atom for photons with arbitrary polarizations and wave-vector directions. It is shown that the length form of the interaction matrix elements is more appropriate in the adiabatic approximation than the velocity form, at least in the most important frequency range omega much less than omega(B), where omega(B) is the electron cyclotron frequency. Use of the length form yields nonzero cross sections for photon polarizations perpendicular to the magnetic field at omega less than omega(B); these cross sections are the ones that most strongly affect the properties of the radiation escaping from an optically thick medium, e.g., from the atmosphere of a neutron star. The results of the numerical calculations are fitted by simple analytical formulas.

Dinamical polarizability of highly excited hydrogen-like states

International Nuclear Information System (INIS)

Delone, N.B.; Krajnov, V.P.

1982-01-01

Analytic expressions are derived for the dynamic polarizability of highly excited hydrogen-like atomic states. It is shown that in the composite matrix element which determines the dynamic polarizability there is a strong compensation of the terms as a result of which the resulting magnitude of the dynamic polarizability is quasiclasically small compared to the individual terms of the composite matrix. It is concluded that the resonance behaviour of the dynamic polarizability of highly excited states differs significantly from the resonance behaviour of the polarizability for the ground and low-lying atomic states. The static limit and high-frequency limit of on electromagnetic field are considered

Algebraic theory of Stark-Zeeman dynamic effect in hydrogen-like atom

International Nuclear Information System (INIS)

Fursa, D.V.; Yudin, G.L.

1990-01-01

The problems of calculating time evolution operator within the given n-shell (here n is main quantum number) for the hydrogen atom located in non-stationary electric and magnetic fields is under investigation. Making use of the Fock SO(4) group reduces this problem to the set of problems with linear realization of the dynamic symmetry group for which the evolution operator is the operator of corresponding groups representation. The types of evolution operator parametrization in the form of exponents product (the Wei-Norman method) any by means of D-functions connected with Euler angles and Cayley-Klein parameters are discussed. It is shown that the problem of evolution operator calculation can be reduced to investigation of a pair of two-level systems. 35 refs

About connection between atomic and hydrogen energy power

International Nuclear Information System (INIS)

Avdeeva, M.Zh.; Vecher, A.A.; Pan'kov, V.V.

2008-01-01

Possible interaction between atomic and hydrogen energy power has been discussed. The analysis of the result held shows that the electrical energy produced by the atomic reactor during the of-load hours can be involved into the process of obtaining hydrogen by electrolysis. In order to optimize the transportation and storage of hydrogen it is proposed to convert it into ammonia. The direct uses of ammonia as a fuel into the internal combustion engine and fuel cells are examined. (authors)

Comment on "Wigner phase-space distribution function for the hydrogen atom"

DEFF Research Database (Denmark)

Dahl, Jens Peder; Springborg, Michael

1999-01-01

We object to the proposal that the mapping of the three-dimensional hydrogen atom into a four-dimensional harmonic oscillator can be readily used to determine the Wigner phase-space distribution function for the hydrogen atom. [S1050-2947(99)07005-5].......We object to the proposal that the mapping of the three-dimensional hydrogen atom into a four-dimensional harmonic oscillator can be readily used to determine the Wigner phase-space distribution function for the hydrogen atom. [S1050-2947(99)07005-5]....

Spontaneous light emission by atomic hydrogen: Fermi's golden rule without cheating

Science.gov (United States)

Debierre, V.; Durt, T.; Nicolet, A.; Zolla, F.

2015-10-01

Focusing on the 2 p- 1 s transition in atomic hydrogen, we investigate through first order perturbation theory the time evolution of the survival probability of an electron initially taken to be in the excited (2 p) state. We examine both the results yielded by the standard dipole approximation for the coupling between the atom and the electromagnetic field - for which we propose a cutoff-independent regularisation - and those yielded by the exact coupling function. In both cases, Fermi's golden rule is shown to be an excellent approximation for the system at hand: we found its maximal deviation from the exact behaviour of the system to be of order 10-8 /10-7. Our treatment also yields a rigorous prescription for the choice of the optimal cutoff frequency in the dipole approximation. With our cutoff, the predictions of the dipole approximation are almost indistinguishable at all times from the exact dynamics of the system.

Adiabatic perturbation theory for atoms and molecules in the low-frequency regime.

Science.gov (United States)

Martiskainen, Hanna; Moiseyev, Nimrod

2017-12-14

There is an increasing interest in the photoinduced dynamics in the low frequency, ω, regime. The multiphoton absorptions by molecules in strong laser fields depend on the polarization of the laser and on the molecular structure. The unique properties of the interaction of atoms and molecules with lasers in the low-frequency regime imply new concepts and directions in strong-field light-matter interactions. Here we represent a perturbational approach for the calculations of the quasi-energy spectrum in the low-frequency regime, which avoids the construction of the Floquet operator with extremely large number of Floquet channels. The zero-order Hamiltonian in our perturbational approach is the adiabatic Hamiltonian where the atoms/molecules are exposed to a dc electric field rather than to ac-field. This is in the spirit of the first step in the Corkum three-step model. The second-order perturbation correction terms are obtained when iℏω∂∂τ serves as a perturbation and τ is a dimensionless variable. The second-order adiabatic perturbation scheme is found to be an excellent approach for calculating the ac-field Floquet solutions in our test case studies of a simple one-dimensional time-periodic model Hamiltonian. It is straightforward to implement the perturbation approach presented here for calculating atomic and molecular energy shifts (positions) due to the interaction with low-frequency ac-fields using high-level electronic structure methods. This is enabled since standard quantum chemistry packages allow the calculations of atomic and molecular energy shifts due to the interaction with dc-fields. In addition to the shift of the energy positions, the energy widths (inverse lifetimes) can be obtained at the same level of theory. These energy shifts are functions of the laser parameters (low frequency, intensity, and polarization).

Interaction of atomic hydrogen with ethylene adsorbed on nickel films

International Nuclear Information System (INIS)

Korchak, V.N.; Tret'yakov, I.I.; Kislyuk, M.U.

1976-01-01

The reactivity of ethylene adsorbed on the pure films of nickel at various temperatures was studied with respect to hydrogen atoms generated in the gaseous phase. The experiments were conducted in a glass vacuum apparatus enabling one to obtain the highest vacuum up to 2x20 -10 torr. The catalyst, nickel films, was produced by their deposition onto the walls of the glass reactor at a pressure of the residual gas of 10 -9 torr and a temperature of the walls of 25 deg C. Gas purity was analyzed by the mass spectrometric method. The ethylene adsorbed at the temperatures below 173 deg K reacted readily with the hydrogen atoms to yield ethane. The process ran without practically any activation energy involved and was limited by the attachment of the first hydrogen atom to the ethylene molecule. The efficiency of this interaction was 0.02 of the number of the hydrogen atoms collisions against the surface occupied by the ethylene. The adsorption of the ethylene at room and higher temperatures was accompanied by its disproportioning with the release of the hydrogen into the gaseous phase and a serious destruction of the ethylene molecules adsorbed to produce hydrogen residues interacting with neither molecular nor atomic hydrogen [ru

Precision spectroscopy on atomic hydrogen

International Nuclear Information System (INIS)

Parthey, Christian Godehard

2011-01-01

This Thesis reports on three measurements involving the 1S-2S transition in atomic hydrogen and deuterium conducted on a 5.8 K atomic beam. The transition is excited Doppler-free via two counter-propagating photons near 243 nm. The H/D isotope shift has been determined as Δ∫ exp =670 994 334 606(15) Hz. Comparing with the theoretical value for the isotope shift, excluding the leading nuclear size effect, Δ∫ th =670 999 566.90(66)(60) kHz we confirm, twice more accurate, the rms charge radius difference of the deuteron and the proton as left angle r 2 right angle d - left angle r 2 right angle p =3.82007(65) fm 2 and the deuteron structure radius r str =1.97507(78) fm. The frequency ratio of the 1S-2S transition in atomic hydrogen to the cesium ground state hyperfine transition provided by the mobile cesium fountain clock FOM is measured to be ∫ 1S-2S =2 466 061 413 187 035 (10) Hz which presents a fractional frequency uncertainty of 4.2 x 10 -15 . The second absolute frequency measurement of the 1S-2S transition in atomic hydrogen presents the first application of a 900 km fiber link between MPQ and Physikalisch- Technische Bundesanstalt (PTB) in Braunschweig which we have used to calibrate the MPQ hydrogen maser with the stationary cesium fountain clock CSF1 at PTB. With the result of ∫ 1S-2S =2 466 061 413 187 017 (11) Hz we can put a constraint on the electron Lorentz boost violating coefficients 0.95c (TX) -0.29c (TY) -0.08 c (TZ) =(2.2±1.8) x 10 -11 within the framework of minimal standard model extensions. We limit a possible drift of the strong coupling constant through the ratio of magnetic moments at a competitive level (∂)/(∂t)ln (μ Cs )/(μ B )=-(3.0±1.2) x 10 -15 yr -1 .

Atomic capture of negative mesons in hydrogen

International Nuclear Information System (INIS)

Leon, M.

1979-01-01

After a brief description of the present state of theoretical understanding of atomic capture of negative mesons, a very simple model calculation of negative muon capture by the simplest atoms, hydrogen is described. Also the possibility of generalizing these results to more complicated atoms and even molecules is noted. 15 references

Variable scaling method and Stark effect in hydrogen atom

International Nuclear Information System (INIS)

Choudhury, R.K.R.; Ghosh, B.

1983-09-01

By relating the Stark effect problem in hydrogen-like atoms to that of the spherical anharmonic oscillator we have found simple formulas for energy eigenvalues for the Stark effect. Matrix elements have been calculated using 0(2,1) algebra technique after Armstrong and then the variable scaling method has been used to find optimal solutions. Our numerical results are compared with those of Hioe and Yoo and also with the results obtained by Lanczos. (author)

Measurement of intensity-dependent rates of above-threshold ionization (ATI) of atomic hydrogen at 248 nm

International Nuclear Information System (INIS)

Nichols, T.D.

1991-04-01

Measured rates of multiphoton ionization (MPI) from the ground state of atomic hydrogen by a linearly polarized, subpicosecond KrF laser pulse at 248 nm wavelength are compared to predictions of lowest-order perturbation theory, Floquet theory, and Keldysh-Faisal-Reiss (KFR) theory with and without Coulomb correction for peak irradiance of 3 x 10 12 W/cm 2 to 2 x 10 14 W/cm 2 . The Coulomb-corrected Keldysh model falls closest to the measured rates, the others being much higher or much lower. At 5 x 10 13 W/cm 2 , the number of ATI electrons decreased by a factor of approximately 40 with each additional photon absorbed. ATI of the molecular hydrogen background and of atoms from photodissociation of the molecules were also observed. The experiment employed a crossed-beam technique at ultrahigh vacuum with an rf-discharge atomic hydrogen source and a magnetic-bottle type electron time-of-flight spectrometer to count the electrons in the different ATI channels separately. The apparatus was calibrated to allow comparison of absolute as well as relative ionization rates to the theoretical predictions. This calibration involved measuring the distribution of irradiance in a focal volume that moved randomly and changed its size from time to time. A data collection system under computer control divided the time-of-flight spectra into bins according to the energy of each laser pulse. This is the first measurement of absolute rates of ATI in atomic hydrogen, and the first measurement of absolute test of MPI in atomic hydrogen without a large factor to account for multiple modes in the laser field. As such, the results of this work are important to the development of ATI theories, which presently differ by orders of magnitude in their prediction of the ionization rates. They are also important to recent calculations of temperatures in laser-heated plasmas, many of which incorporate KFR theory

Production of hyperthermal hydrogen atoms by an arc discharge

International Nuclear Information System (INIS)

Samano, E.C.

1993-01-01

A magnetically confined thermal electric arc gas heater has been designed and built as a suitable source of heat for dissociating hydrogen molecules with energy in the range of a few eV. Specifically, the average beam kinetic energy is determined to be 1.5 eV, the dissociation rate is 0.5 atoms per molecule and the atom beam intensity in the forward direction is 1018 atoms/sr-sec. The working pressure in the arc discharge region is from 15 to 25 torr. This novel atom source has been successfully ignited and operated with pure hydrogen during several hours of continuous performance, maintaining its characteristics. The hyperthermal hydrogen atom beam, which is obtained from this source is analyzed and characterized in a high vacuum system, the characterization of the atom beam is accomplished by two different methods: calorimetry and surface ionization. Calorimetic sensor were used for detecting the atom beam by measuring the delivered power of the impinging atoms on the sensor surface. In the second approach an H-surface production backscattering experiment from a low work function surface was conducted. The validity of these two methods is discussed, and the results are compared. The different collision mechanisms to dissociate and ionize hydrogen molecules in the arch discharge are reviewed, as well as the physics of electric arcs. Finally, a Monte Carlo simulation program is used to calculate the ionization probability of low energy atoms perpendicularly reflected from a surface converter, as a model for atom surface ionization

Exact soliton-like solutions of perturbed phi4-equation

International Nuclear Information System (INIS)

Gonzalez, J.A.

1986-05-01

Exact soliton-like solutions of damped, driven phi 4 -equation are found. The exact expressions for the velocities of solitons are given. It is non-perturbatively proved that the perturbed phi 4 -equation has stable kink-like solutions of a new type. (author)

Spectroscopic studies of hydrogen atom and molecule collisions: Performance report

International Nuclear Information System (INIS)

Kielkopf, J.

1986-01-01

This research is concerned with spectroscopic measurements of collisions in atomic and molecular hydrogen in order to clarify the basic physical processes that take place during radiative collisions and to provide experimental values for systems where the theoretical analysis is tractable. To this end, we proposed to measure from the cores to the far wings the profiles of the spectral lines of atomic hydrogen broadened by molecular hydrogen and noble gases, and to study energy transfer in the atom and molecule

Trapping hydrogen atoms from a neon-gas matrix: a theoretical simulation.

Science.gov (United States)

Bovino, S; Zhang, P; Kharchenko, V; Dalgarno, A

2009-08-07

Hydrogen is of critical importance in atomic and molecular physics and the development of a simple and efficient technique for trapping cold and ultracold hydrogen atoms would be a significant advance. In this study we simulate a recently proposed trap-loading mechanism for trapping hydrogen atoms released from a neon matrix. Accurate ab initio quantum calculations are reported of the neon-hydrogen interaction potential and the energy- and angular-dependent elastic scattering cross sections that control the energy transfer of initially cold atoms are obtained. They are then used to construct the Boltzmann kinetic equation, describing the energy relaxation process. Numerical solutions of the Boltzmann equation predict the time evolution of the hydrogen energy distribution function. Based on the simulations we discuss the prospects of the technique.

Theoretical aspects of the stabilization of atomic hydrogen

International Nuclear Information System (INIS)

Eijnde, J.P.H.W. van den.

1984-01-01

This thesis describes a theoretical study of processes leading to recombination of hydrogen atoms into molecular form. A relaxation process, due to the transition among the lowest two hyperfine levels of atomic hydrogen, turns out to be of fundamental importance for the recombination rate. Models have been formulated to calculate the relaxation rate by means of quantum mechanical scattering theory. For processes in the bulk of the gas the results of an almost exact coupled-channels calculation have been compared with approximate models. In these models first-order approximations are applied, as well as approximations connected with the large distance of closest approach of the colliding hydrogen atoms. The assumptions turned out to be correct to the promille level, except for the so-called high-temperature limit. (Auth.)

Selection rule engineering of forbidden transitions of a hydrogen atom near a nanogap

Science.gov (United States)

Kim, Hyunyoung Y.; Kim, Daisik S.

2018-01-01

We perform an analytical study on the allowance of forbidden transitions for a hydrogen atom placed near line dipole sources, mimicking light emanating from a one-dimensional metallic nanogap. It is shown that the rapid variation of the electric field vector, inevitable in the near zone, completely breaks the selection rule of Δl=±1. While the forbidden transitions between spherically symmetric S states, such as 2S to 1S or 3S to 1S (Δl=0), are rather robust against selection rule breakage, Δl=±2 transitions such as between 3D and 1S or 3D and 2S states are very vulnerable to the spatial variation of the perturbing electric field. Transitions between 2S and 3D states are enhanced by many orders of magnitude, aided by the quadratic nature of both the perturbing Hamiltonian and D wavefunctions. The forbidden dipole moment, which approaches one Bohr radius times the electric charge in the vicinity of the gap, can be written in a simple closed form owing to the one-dimensional nature of our gap. With large enough effective volume together with the symmetric nature of the excited state wavefunctions, our work paves way towards atomic physics application of infinitely long nanogaps.

Significant change of local atomic configurations at surface of reduced activation Eurofer steels induced by hydrogenation treatments

Energy Technology Data Exchange (ETDEWEB)

Greculeasa, S.G.; Palade, P.; Schinteie, G. [National Institute for Materials Physics, P.O. Box MG-7, 77125, Bucharest-Magurele (Romania); Kuncser, A.; Stanciu, A. [National Institute for Materials Physics, P.O. Box MG-7, 77125, Bucharest-Magurele (Romania); University of Bucharest, Faculty of Physics, 77125, Bucharest-Magurele (Romania); Lungu, G.A. [National Institute for Materials Physics, P.O. Box MG-7, 77125, Bucharest-Magurele (Romania); Porosnicu, C.; Lungu, C.P. [National Institute for Laser, Plasma and Radiation Physics, 77125, Bucharest-Magurele (Romania); Kuncser, V., E-mail: kuncser@infim.ro [National Institute for Materials Physics, P.O. Box MG-7, 77125, Bucharest-Magurele (Romania)

2017-04-30

Highlights: • Engineering of Eurofer slab properties by hydrogenation treatments. • Hydrogenation modifies significantly the local atomic configurations at the surface. • Hydrogenation increases the expulsion of the Cr atoms toward the very surface. • Approaching binomial atomic distribution by hydrogenation in the next surface 100 nm. - Abstract: Reduced-activation steels such as Eurofer alloys are candidates for supporting plasma facing components in tokamak-like nuclear fusion reactors. In order to investigate the impact of hydrogen/deuterium insertion in their crystalline lattice, annealing treatments in hydrogen atmosphere have been applied on Eurofer slabs. The resulting samples have been analyzed with respect to local structure and atomic configuration both before and after successive annealing treatments, by X-ray diffractometry (XRD), scanning electron microscopy and energy dispersive spectroscopy (SEM-EDS), X-ray photoelectron spectroscopy (XPS) and conversion electron Mössbauer spectroscopy (CEMS). The corroborated data point out for a bcc type structure of the non-hydrogenated alloy, with an average alloy composition approaching Fe{sub 0.9}Cr{sub 0.1} along a depth of about 100 nm. EDS elemental maps do not indicate surface inhomogeneities in concentration whereas the Mössbauer spectra prove significant deviations from a homogeneous alloying. The hydrogenation increases the expulsion of the Cr atoms toward the surface layer and decreases their oxidation, with considerable influence on the surface properties of the steel. The hydrogenation treatment is therefore proposed as a potential alternative for a convenient engineering of the surface of different Fe-Cr based alloys.

Semiclassical perturbation theory for diffraction in heavy atom surface scattering.

Science.gov (United States)

Miret-Artés, Salvador; Daon, Shauli; Pollak, Eli

2012-05-28

The semiclassical perturbation theory formalism of Hubbard and Miller [J. Chem. Phys. 78, 1801 (1983)] for atom surface scattering is used to explore the possibility of observation of heavy atom diffractive scattering. In the limit of vanishing ℏ the semiclassical theory is shown to reduce to the classical perturbation theory. The quantum diffraction pattern is sensitive to the characteristics of the beam of incoming particles. Necessary conditions for observation of quantum diffraction are derived for the angular width of the incoming beam. An analytic expression for the angular distribution as a function of the angular and momentum variance of the incoming beam is obtained. We show both analytically and through some numerical results that increasing the angular width of the incident beam leads to decoherence of the quantum diffraction peaks and one approaches the classical limit. However, the incoherence of the beam in the parallel direction does not destroy the diffraction pattern. We consider the specific example of Ar atoms scattered from a rigid LiF(100) surface.

Precision spectroscopy on atomic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Parthey, Christian Godehard

2011-12-15

This Thesis reports on three measurements involving the 1S-2S transition in atomic hydrogen and deuterium conducted on a 5.8 K atomic beam. The transition is excited Doppler-free via two counter-propagating photons near 243 nm. The H/D isotope shift has been determined as {delta}{integral}{sub exp}=670 994 334 606(15) Hz. Comparing with the theoretical value for the isotope shift, excluding the leading nuclear size effect, {delta}{integral}{sub th}=670 999 566.90(66)(60) kHz we confirm, twice more accurate, the rms charge radius difference of the deuteron and the proton as left angle r{sup 2} right angle {sub d}- left angle r{sup 2} right angle {sub p}=3.82007(65) fm{sup 2} and the deuteron structure radius r{sub str}=1.97507(78) fm. The frequency ratio of the 1S-2S transition in atomic hydrogen to the cesium ground state hyperfine transition provided by the mobile cesium fountain clock FOM is measured to be {integral}{sub 1S-2S}=2 466 061 413 187 035 (10) Hz which presents a fractional frequency uncertainty of 4.2 x 10{sup -15}. The second absolute frequency measurement of the 1S-2S transition in atomic hydrogen presents the first application of a 900 km fiber link between MPQ and Physikalisch- Technische Bundesanstalt (PTB) in Braunschweig which we have used to calibrate the MPQ hydrogen maser with the stationary cesium fountain clock CSF1 at PTB. With the result of {integral}{sub 1S-2S}=2 466 061 413 187 017 (11) Hz we can put a constraint on the electron Lorentz boost violating coefficients 0.95c{sub (TX)}-0.29c{sub (TY)}-0.08 c{sub (TZ)}=(2.2{+-}1.8) x 10{sup -11} within the framework of minimal standard model extensions. We limit a possible drift of the strong coupling constant through the ratio of magnetic moments at a competitive level ({partial_derivative})/({partial_derivative}t)ln ({mu}{sub Cs})/({mu}{sub B})=-(3.0{+-}1.2) x 10{sup -15} yr{sup -1}.

Which hydrogen atom of toluene protonates PAH molecules in (+)-mode APPI MS analysis?

Science.gov (United States)

Ahmed, Arif; Ghosh, Manik Kumer; Choi, Myung Chul; Choi, Cheol Ho; Kim, Sunghwan

2013-03-01

A previous study (Ahmed, A. et al., Anal. Chem. 84, 1146-1151( 2012) reported that toluene used as a solvent was the proton source for polyaromatic hydrocarbon compounds (PAHs) that were subjected to (+)-mode atmospheric-pressure photoionization. In the current study, the exact position of the hydrogen atom in the toluene molecule (either a methyl hydrogen or an aromatic ring hydrogen) involved in the formation of protonated PAH ions was investigated. Experimental analyses of benzene and anisole demonstrated that although the aromatic hydrogen atom of toluene did not contribute to the formation of protonated anthracene, it did contribute to the formation of protonated acridine. Thermochemical data and quantum mechanical calculations showed that the protonation of anthracene by an aromatic ring hydrogen atom of toluene is endothermic, while protonation by a methyl hydrogen atom is exothermic. However, protonation of acridine by either an aromatic ring hydrogen or a methyl hydrogen atom of toluene is exothermic. The different behavior of acridine and anthracene was attributed to differences in gas-phase basicity. It was concluded that both types of hydrogen in toluene can be used for protonation of PAH compounds, but a methyl hydrogen atom is preferred, especially for non-basic compounds.

Laser driven source of spin polarized atomic deuterium and hydrogen

International Nuclear Information System (INIS)

Poelker, M.; Coulter, K.P.; Holt, R.J.

1993-01-01

Optical pumping of potassium atoms in the presence of a high magnetic field followed by spin exchange collisions with deuterium (hydrogen) is shown to yield a high flux of spin polarized atomic deuterium (hydrogen). The performance of the laser driven source has been characterized as a function of deuterium (hydrogen) flow rate, potassium density, pump laser power, and magnetic field. Under appropriate conditions, the authors have observed deuterium atomic polarization as high as 75% at a flow rate 4.2x10 17 atoms/second. Preliminary results suggest that high nuclear polarizations are obtained in the absence of weak field rf transitions as a result of a spin temperature distribution that evolves through frequent H-H (D-D) collisions

Matrix elements and transition probabilities of interaction of electromagnetic field with a hydrogen-like atom

International Nuclear Information System (INIS)

Rajput, B.S.

1977-01-01

Using the reduced expansions of second quantized electromagnetic vector potential operator in terms of irreducible representations of Pioncare group in the interaction Hamiltonian, the exact matrix elements of interaction of electromagnetic field with a hydrogenic atom have been derived and the contributions of transitions for different combinations of angular momentum quantum numbers to the transition probabilities of various lines in Lyman-, Balmer-, and Paschen-series have been computed. (author)

Quantum-mechanical interference in charge exchange between hydrogen and graphene-like surfaces

International Nuclear Information System (INIS)

Romero, M; Iglesias-García, A; Goldberg, E C

2012-01-01

The neutral to negative charge fluctuation of a hydrogen atom in front of a graphene surface is calculated by using the Anderson model within an infinite intra atomic Coulomb repulsion approximation. We perform an ab initio calculation of the Anderson hybridization function that allows investigation of the effect of quantum-mechanical interference related to the Berry phase inherent to the graphene band structure. We find that consideration of the interaction of hydrogen on top of many C atoms leads to a marked asymmetry of the imaginary part of the hybridization function with respect to the Fermi level. Consequently, Fano factors larger than one and strongly dependent on the energy around the Fermi level are predicted. Moreover, the suppression of the hybridization for energies above the Fermi level can explain the unexpected large negative ion formation measured in the scattering of protons by graphite-like surfaces. (paper)

Non-dipole effects in multiphoton ionization of hydrogen atom in short superintense laser fields

Energy Technology Data Exchange (ETDEWEB)

Jobunga, Eric O. [AG Moderne Optik, Institut fuer Physik, Humboldt-Universitaet zu Berlin, Newtonstr. 15, D-12489 Berlin (Germany); Department of Mathematics and Physics, Technical University of Mombasa, P. O. Box 90420-80100, Mombasa (Kenya); Saenz, Alejandro [AG Moderne Optik, Institut fuer Physik, Humboldt-Universitaet zu Berlin, Newtonstr. 15, D-12489 Berlin (Germany)

2014-07-01

The development of novel light sources has enabled the realization of high-precision experiments investigating various non-linear processes in the dynamics of atomic, molecular, and ionic systems interacting with high intense laser pulses. At high intensities or short wavelengths, the analysis of these experiments would definitely require a reliable non-perturbative solution of the time-dependent Schroedinger or Dirac equation. These solutions should consider both the temporal and the spatial intensity variations of the laser pulse.We have solved the non-relativistic time dependent Schroedinger equation for a ground state hydrogen atom interacting with short intense spatially and temporally resolved laser fields corresponding to the multiphoton ATI regime for a monochromatic source with λ= 800 nm. We shall analyse the effects of the A{sup 2} term and the corresponding orders of the multipolar expansion of the transition matrix.

Self-consistent collisional-radiative model for hydrogen atoms: Atom–atom interaction and radiation transport

International Nuclear Information System (INIS)

Colonna, G.; Pietanza, L.D.; D’Ammando, G.

2012-01-01

Graphical abstract: Self-consistent coupling between radiation, state-to-state kinetics, electron kinetics and fluid dynamics. Highlight: ► A CR model of shock-wave in hydrogen plasma has been presented. ► All equations have been coupled self-consistently. ► Non-equilibrium electron and level distributions are obtained. ► The results show non-local effects and non-equilibrium radiation. - Abstract: A collisional-radiative model for hydrogen atom, coupled self-consistently with the Boltzmann equation for free electrons, has been applied to model a shock tube. The kinetic model has been completed considering atom–atom collisions and the vibrational kinetics of the ground state of hydrogen molecules. The atomic level kinetics has been also coupled with a radiative transport equation to determine the effective adsorption and emission coefficients and non-local energy transfer.

Non-perturbative treatment of relativistic quantum corrections in large Z atoms

International Nuclear Information System (INIS)

Dietz, K.; Weymans, G.

1983-09-01

Renormalised g-Hartree-Dirac equations incorporating Dirac sea contributions are derived. Their implications for the non-perturbative, selfconsistent calculation of quantum corrections in large Z atoms are discussed. (orig.)

Inelastic Transitions in Slow Collisions of Anti-Hydrogen with Hydrogen Atoms

Science.gov (United States)

Harrison, Robert; Krstic, Predrag

2007-06-01

We calculate excited adiabatic states and nonadiabatic coupling matrix elements of a quasimolecular system containing hydrogen and anti-hydrogen atoms, for a range of internuclear distances from 0.2 to 20 Bohrs. High accuracy is achieved by exact diagonalization of the molecular Hamiltionian in a large Gaussian basis. Nonadiabatic dynamics was calculated by solving MOCC equations. Positronium states are included in the consideration.

Infrared studies of ortho-para conversion at Cl-atom and H-atom impurity centers in cryogenic solid hydrogen

International Nuclear Information System (INIS)

Raston, P.L.; Kettwich, S.C.; Anderson, D.T.

2010-01-01

We report infrared spectroscopic studies of H 2 ortho-para (o/p) conversion in solid hydrogen doped with Cl-atoms at 2 K while the Cl + H 2 (υ = 1) → HCl + H infrared-induced chemical reaction is occurring. The Cl-atom doped hydrogen crystals are synthesized using 355 nm in situ photodissociation of Cl 2 precursor molecules. For hydrogen solids with high ortho-H 2 fractional concentrations (X o = 0.55), the o/p conversion kinetics is dominated by Cl-atom catalyzed conversion with a catalyzed conversion rate constant K cc = 1.16(11) min -1 and the process is rate-limited by ortho-H 2 quantum diffusion. For hydrogen crystals with low ortho-H2 concentrations (X o = 0.03), single-exponential decay of the ortho-H 2 concentration with time is observed which is attributed to H-atom catalyzed o/p conversion by the H-atoms produced during the infrared-induced Cl + H 2 reaction. The measured H-atom catalyzed o/p conversion kinetics indicates the H-atoms are mobile under these conditions in agreement with previous ESR measurements.

Hydrogen atom as test field of theoretical models

International Nuclear Information System (INIS)

Baiquni, A.

1976-01-01

Semi classical theory, covering Bohr atom theory, Bohr Sommerfeld theory, Sommerfeld relativistic theory, and quantum theory such as particle and complementarity dualism, wave mechanics, approximation method, relativistic quantum mechanics, and hydrogen atom fine structure, are discussed. (SMN)

Hydrogen atoms can be located accurately and precisely by x-ray crystallography.

Science.gov (United States)

Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M; Woźniak, Krzysztof; Jayatilaka, Dylan

2016-05-01

Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A-H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A-H bond lengths with those from neutron measurements for A-H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors.

Logarithmic contributions in the particle-mass ratio to the fine shift of S energy levels of hydrogen-like atoms in the fifth order in the fine-structure constant

International Nuclear Information System (INIS)

Boikova, N.A.; Kleshchevskaya, S.V.; Tyukhtyaev, Yu.N.; Faustov, R.N.

2004-01-01

A high-precision investigation of a logarithmic contribution in the particle-mass ratio to the fine shift of the S energy levels of hydrogen-like atoms from the exchange of a Coulomb photon is performed. It is shown that diagrams describing the exchange of one transverse photon and two Coulomb photons do not make such contributions

Analytical Absorption Cross-Section for Photon by a Hydrogen 2s Atom

International Nuclear Information System (INIS)

Ndinya, Boniface Otieno; Okeyo, Stephen Onyango

2011-01-01

We calculate the absorption cross-section for photon by a hydrogen 2s atom using the quantum-classical approximation for the total photo cross-section of many electron atoms. With the application of the first-order term of the Baker-Hausdorf expansion, the absorption cross-section for the hydrogen 2s atom decreases to a minimum, the Cooper pair minimum, at low photon energy. Such a minimum is absent in the exact absorption cross-section for photon by a hydrogen 2s atom. We have extended the calculation for the absorption cross-section of the hydrogen 2s atom using the quantum-classical approximation for the total photo cross-section of many electron to include the second-order term of the Baker-Hausdorf expansion and observed a great reduction in the dip associated with the Cooper pair minimum at the zero crossing. (atomic and molecular physics)

Effects of xenon insertion into hydrogen bromide. Comparison of the electronic structure of the HBr···CO2 and HXeBr···CO2 complexes using quantum chemical topology methods: electron localization function, atoms in molecules and symmetry adapted perturbation theory.

Science.gov (United States)

Makarewicz, Emilia; Gordon, Agnieszka J; Mierzwicki, Krzysztof; Latajka, Zdzislaw; Berski, Slawomir

2014-06-05

Quantum chemistry methods have been applied to study the influence of the Xe atom inserted into the hydrogen-bromine bond (HBr → HXeBr), particularly on the nature of atomic interactions in the HBr···CO2 and HXeBr···CO2 complexes. Detailed analysis of the nature of chemical bonds has been carried out using topological analysis of the electron localization function, while topological analysis of electron density was used to gain insight into the nature of weak nonbonding interactions. Symmetry-adapted perturbation theory within the orbital approach was applied for greater understanding of the physical contributions to the total interaction energy.

Classical approach in atomic physics

International Nuclear Information System (INIS)

Solov'ev, E.A.

2011-01-01

The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a semiclassical spectrum of a hydrogen atom in crossed electric and magnetic fields, a spontaneous decay of excited states of a hydrogen atom, Gutzwiller's approach to Stark problem, long-lived excited states of a helium atom discovered with the help of Poincare section, inelastic transitions in slow and fast electron-atom and ion-atom collisions - is reviewed. Further, a classical representation in quantum theory is discussed. In this representation the quantum states are treated as an ensemble of classical states. This approach opens the way to an accurate description of the initial and final states in classical trajectory Monte Carlo (CTMC) method and a purely classical explanation of tunneling phenomenon. The general aspects of the structure of the semiclassical series such as renormalization group symmetry, criterion of accuracy and so on are reviewed as well. (author)

An atomic hydrogen beam to test ASACUSA's apparatus for antihydrogen spectroscopy

CERN Document Server

Diermaier, Martin; Kolbinger, Bernadette; Malbrunot, Chloé; Massiczek, Oswald; Sauerzopf, Clemens; Simon, Martin C.; Wolf, Michael; Zmeskal, Johann; Widmann, Eberhard

2015-01-01

The ASACUSA collaboration aims to measure the ground state hyperfine splitting (GS-HFS) of antihydrogen, the antimatter pendant to atomic hydrogen. Comparisons of the corresponding transitions in those two systems will provide sensitive tests of the CPT symmetry, the combination of the three discrete symmetries charge conjugation, parity, and time reversal. For offline tests of the GS-HFS spectroscopy apparatus we constructed a source of cold polarised atomic hydrogen. In these proceedings we report the successful observation of the hyperfine structure transitions of atomic hydrogen with our apparatus in the earth's magnetic field.

Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

Science.gov (United States)

Irwin, Benedict W J; Huggins, David J

2018-05-08

We present a general method called atom-wise free energy perturbation (AFEP), which extends a conventional molecular dynamics free energy perturbation (FEP) simulation to give the contribution to a free energy change from each atom. AFEP is derived from an expansion of the Zwanzig equation used in the exponential averaging method by defining that the system total energy can be partitioned into contributions from each atom. A partitioning method is assumed and used to group terms in the expansion to correspond to individual atoms. AFEP is applied to six example free energy changes to demonstrate the method. Firstly, the hydration free energies of methane, methanol, methylamine, methanethiol, and caffeine in water. AFEP highlights the atoms in the molecules that interact favorably or unfavorably with water. Finally AFEP is applied to the binding free energy of human immunodeficiency virus type 1 protease to lopinavir, and AFEP reveals the contribution of each atom to the binding free energy, indicating candidate areas of the molecule to improve to produce a more strongly binding inhibitor. FEP gives a single value for the free energy change and is already a very useful method. AFEP gives a free energy change for each "part" of the system being simulated, where part can mean individual atoms, chemical groups, amino acids, or larger partitions depending on what the user is trying to measure. This method should have various applications in molecular dynamics studies of physical, chemical, or biochemical phenomena, specifically in the field of computational drug discovery.

Non-local coupled-channels optical calculation of electron scattering by atomic hydrogen at 54.42 eV

International Nuclear Information System (INIS)

Ratnavelu, K.; McCarthy, I.E.

1990-01-01

The present study incorporates the non-local optical potentials for the continuum within the coupled-channels optical framework to study electron scattering from atomic hydrogen at 54.42 eV. Nine-state coupled-channels calculations with non-local and local continuum optical potentials were performed. The results for differential, total and ionization cross sections as well as the 2p angular correlation parameters λ and R are comparable with other non-perturbative calculations. There are still discrepancies between theory and experiment, particularly for λ and R at larger angles. (author)

Insights into the Hydrogen-Atom Transfer of the Blue Aroxyl.

Science.gov (United States)

Bächle, Josua; Marković, Marijana; Kelterer, Anne-Marie; Grampp, Günter

2017-10-19

An experimental and theoretical study on hydrogen-atom transfer dynamics in the hydrogen-bonded substituted phenol/phenoxyl complex of the blue aroxyl (2,4,6-tri-tert-butylphenoxyl) is presented. The experimental exchange dynamics is determined in different organic solvents from the temperature-dependent alternating line-width effect in the continuous-wave ESR spectrum. From bent Arrhenius plots, effective tunnelling contributions with parallel heavy-atom motion are concluded. To clarify the transfer mechanism, reaction paths for different conformers of the substituted phenol/phenoxyl complex are modelled theoretically. Various DFT and post-Hartree-Fock methods including multireference methods are applied. From the comparison of experimental and theoretical data it is concluded that the system favours concerted hydrogen-atom transfer along a parabolic reaction path caused by heavy-atom motion. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Wave equation of hydrogen atom

International Nuclear Information System (INIS)

Suwito.

1977-01-01

The calculation of the energy levels of the hydrogen atom using Bohr, Schroedinger and Dirac theories is reviewed. The result is compared with that obtained from infinite component wave equations theory which developed recently. The conclusion can be stated that the latter theory is better to describe the composit system than the former. (author)

Quantum yield and translational energy of hydrogen atoms

Indian Academy of Sciences (India)

TECS

erage kinetic energy of H atoms calculated from Doppler profiles was found to be ET(lab) = (50 ± 3) kJ/mol. The ... in this wavelength range H atoms are produced by ... tral hydrogen. 1,9 ... a spectral window of molecular oxygen, solar radia-.

Muon transfer from hot muonic hydrogen atoms to neon

International Nuclear Information System (INIS)

Jacot-Guillarmod, R.; Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A.; Beveridge, J.L.; Marshall, G.M.; Brewer, J.H.; Forster, B.M.; Huber, T.M.; Kammel, P.; Zmeskal, J.; Petitjean, C.

1992-01-01

A negative muon beam has been directed on adjacent solid layers of hydrogen and neon. Three targets differing by their deuterium concentration were investigated. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. The time structure of the muonic neon X-rays follows the exponential law with a disappearance rate corresponding to the one of μ -p atoms in each target. The rates λ ppμ and λ pd can be extracted

Electromagnetic couplings of the chiral perturbation theory Lagrangian from the perturbative chiral quark model

International Nuclear Information System (INIS)

Lyubovitskij, V.E.; Gutsche, Th.; Faessler, Amand; Mau, R. Vinh

2002-01-01

We apply the perturbative chiral quark model to the study of the low-energy πN interaction. Using an effective chiral Lagrangian we reproduce the Weinberg-Tomozawa result for the S-wave πN scattering lengths. After inclusion of the photon field we give predictions for the electromagnetic O(p 2 ) low-energy couplings of the chiral perturbation theory effective Lagrangian that define the electromagnetic mass shifts of nucleons and first-order (e 2 ) radiative corrections to the πN scattering amplitude. Finally, we estimate the leading isospin-breaking correction to the strong energy shift of the π - p atom in the 1s state, which is relevant for the experiment 'pionic hydrogen' at PSI

A model for the interaction between F centers and H atoms in ionic crystals

International Nuclear Information System (INIS)

Dumke, V.R.; Souza, M. de

1975-01-01

The interaction between an F center and neutral hydrogen atoms, the most simple paramagnetic defects in ionic crystals, is described in terms of a perturbation theory of two square potential wells. The good agreement with experimental data indicates that lattice distortion due to the presence of the hydrogen atoms is negligible [pt

On the dynamical supersymmetry of atomic hydrogen

International Nuclear Information System (INIS)

Slepchenko, L.A.

1986-01-01

In the framework of supersymmetric quantum mechanics a dynamical symmetry of the hydrogen atom is considered. New features of spectra for the dynamical supersymmetry of two-dimensional Kepler problem are found

Above threshold ionization of atomic hydrogen in ns states with up to four excess photons

Energy Technology Data Exchange (ETDEWEB)

Karule, E [Institute of Physics and Spectroscopy, University of Latvia, Raina blvd. 19, Riga, LV-1586 (Latvia); Gailitis, A, E-mail: karule@latnet.l [Institute of Physics, University of Latvia, Salaspils-1, LV-2169 (Latvia)

2010-03-28

In a high-intensity laser field an atom can absorb more photons than the minimum necessary for ionization. It is known as above threshold ionization (ATI). Theoretically it is the most difficult case to handle as we have to consider transitions in continuum. To study ATI we use the perturbation theory and Green's function formalism. We have derived the modified two-term Coulomb Green's function (CGF) Sturmian expansion. In each term explicit summation over all intermediate states is carried out. The transition amplitude may be obtained in a closed form. The generalized cross sections are evaluated for the photoionization of atomic hydrogen in ns states with up to four excess photons. Calculations are performed in a wide range of wavelengths for linear and circular polarization. In the cases for which data are available, our results agree very well with the previous ones.

Non-local electron transport through normal and topological ladder-like atomic systems

Science.gov (United States)

Kurzyna, Marcin; Kwapiński, Tomasz

2018-05-01

We propose a locally protected ladder-like atomic system (nanoconductor) on a substrate that is insensitive to external perturbations. The system corresponds to coupled atomic chains fabricated on different surfaces. Electron transport properties of such conductors are studied theoretically using the model tight-binding Su-Schriffer-Hegger (SSH) Hamiltonian and Green's function formalism. We have found that the conductance of the system is almost insensitive to single adatoms and oscillates as a function of the side chain length with very large periods. Non-local character of the electron transport was observed also for topological SSH chains where nontrivial end states survive in the presence of disturbances as well as for different substrates. We have found that the careful inspection of the density of states or charge waves can provide the information about the atom energy levels and hopping amplitudes. Moreover, the ladder-like geometry allows one to distinguish between normal and topological zero-energy states. It is important that topological chains do not reveal Friedel oscillations which are observed in non-topological chains.

Stabilization of atomic hydrogen and deuterium

International Nuclear Information System (INIS)

Walraven, J.T.M.

1982-01-01

This thesis deals with the first of a series of experiments done at the University of Amsterdam to study the properties of spin polarized atomic hydrogen (spa H) and deuterium (spa D) at very low temperatures (T approximately 0.3 K) and in high magnetic fields (B approximately 10 T). The experiments show that spa H and spa D may be subjected to experimental investigation like any normal (i.e. stable) gas. Chapter 2 deals with the experimental apparatus and in particular the development of a reliable method to cool atomic hydrogen to very low temperatures which turned out to be decisive for the experiments. An account of the first experiments with spa H can be found in chapter 3. These experiments showed that spa H can be stabilized for extended periods of time (at low temperature and in high magnetic fields) by covering all surfaces with a superfluid film of 4 He. The gas was detected by triggering recombination by locally breaking the helium film and measuring the heat of recombination. This method turned out to be very sensitive and easy to implement. In chapter 4 the physical picture of the gas is discussed. This includes a discussion of the density profile and the phenomenon of thermal leakage from the open structured sample cell. The density profile may be used to detect Bose-Einstein condensation. A second series of experiments is discussed in chapter 5. These measurements were aimed at achieving high densities and to study the limiting processes. They demonstrate that spa H behaves as a gas. Recombination measurements with spa D at low temperatures are discussed in chapter 6 and show that recombination predominantly occurs on the surface of the helium film. (Auth.)

Near-surface hydrogen depletion of diamond-like carbon films produced by direct ion deposition

Science.gov (United States)

Markwitz, Andreas; Gupta, Prasanth; Mohr, Berit; Hübner, René; Leveneur, Jerome; Zondervan, Albert; Becker, Hans-Werner

2016-03-01

Amorphous atomically flat diamond-like carbon (DLC) coatings were produced by direct ion deposition using a system based on a Penning ion source, butane precursor gas and post acceleration. Hydrogen depth profiles of the DLC coatings were measured with the 15N R-NRA method using the resonant nuclear reaction 1H(15N, αγ)12C (Eres = 6.385 MeV). The films produced at 3.0-10.5 kV acceleration voltage show two main effects. First, compared to average elemental composition of the film, the near-surface region is hydrogen depleted. The increase of the hydrogen concentration by 3% from the near-surface region towards the bulk is attributed to a growth model which favours the formation of sp2 hybridised carbon rich films in the film formation zone. Secondly, the depth at which the maximum hydrogen concentration is measured increases with acceleration voltage and is proportional to the penetration depth of protons produced by the ion source from the precursor gas. The observed effects are explained by a deposition process that takes into account the contributions of ion species, hydrogen effusion and preferential displacement of atoms during direct ion deposition.

Mechanism of calcium oxide excitation by atom hydrogen

International Nuclear Information System (INIS)

Kharlamov, V.F.

1991-01-01

Heterogeneous recombination of hydrogen atoms on the surface of calcium oxide proceeds according to the Langmuir-Hinshelwood mechanism with participation of atoms in two different states, belonging to adsorption centres of the same type. CaO excitation is broughty about by vibration-electron transitions during associative desorption of H 2 molecules

Detection of atomic and molecular hydrogen in post-discharge by resonant multi-photo-ionisation. Determination of absolute atomic densities

International Nuclear Information System (INIS)

Persuy, Philippe

1990-01-01

Within the frame of studies on devices for physical vapour deposition, and on phenomena leading to these depositions, this research thesis reports the development of a laser-diagnosis based on the phenomenon of resonant multi-photo-ionisation, and an attempt to obtain from it values of the absolute concentration of atomic hydrogen. After some recalls on the diversity of multi-photon phenomena, their theoretical and experimental evolutions, and on the particular role of hydrogen, the author reports experiments performed at 307.7 and 364.7 nm which respectively addressed the post-discharge detection of molecular hydrogen and of atomic hydrogen. A model is presented which addresses the interaction volume, and results of experiments of atom multi-photo-ionisation are reported. One of the results of this model is an assessment of the cross-section of the excitation with three photons of the hydrogen atom. This result is then used to determine the absolute density of atoms in fundamental state for different discharge conditions. Finally, the author presents the calculation software and some curve examples displaying the evolution of the number of ions and of excited states within the interaction volume [fr

Excitation and ionization of hydrogen and helium atoms by femtosecond laser pulses: theoretical approach by Coulomb-Volkov states; Excitation et ionisation des atomes d'hydrogene et d'helium par des impulsions laser femtosecondes: approche theorique par des etats de Coulomb-Volkov

Energy Technology Data Exchange (ETDEWEB)

Guichard, R

2007-12-15

We present a theoretical approach using Coulomb-Volkov states that appears useful for the study of atomic multi-photonic processes induced by intense XUV femtosecond laser pulses. It predicts hydrogen ionization spectra when it is irradiated by laser pulses in perturbations conditions. Three ways have been investigated. Extension to strong fields when {Dirac_h}{omega} > I{sub p}: it requires to include the hydrogen ground state population, introducing it in standard Coulomb-Volkov amplitude leads to saturated multi-photonic ionization. Extension to multi-photonic transitions with {Dirac_h}{omega} < I{sub p}: new quantum paths are open by the possibility to excite the lower hydrogen bound states. Multiphoton excitation of these states is investigated using a Coulomb-Volkov approach. Extension to helium: two-photon double ionization study shows the influence of electronic correlations in both ground and final state. Huge quantity of information such as angular and energetic distributions as well as total cross sections is available. (author)

The Rydberg constant and proton size from atomic hydrogen

Science.gov (United States)

Beyer, Axel; Maisenbacher, Lothar; Matveev, Arthur; Pohl, Randolf; Khabarova, Ksenia; Grinin, Alexey; Lamour, Tobias; Yost, Dylan C.; Hänsch, Theodor W.; Kolachevsky, Nikolai; Udem, Thomas

2017-10-01

At the core of the “proton radius puzzle” is a four-standard deviation discrepancy between the proton root-mean-square charge radii (rp) determined from the regular hydrogen (H) and the muonic hydrogen (µp) atoms. Using a cryogenic beam of H atoms, we measured the 2S-4P transition frequency in H, yielding the values of the Rydberg constant R∞ = 10973731.568076(96) per meterand rp = 0.8335(95) femtometer. Our rp value is 3.3 combined standard deviations smaller than the previous H world data, but in good agreement with the µp value. We motivate an asymmetric fit function, which eliminates line shifts from quantum interference of neighboring atomic resonances.

Constraining Born-Infeld-like nonlinear electrodynamics using hydrogen's ionization energy

Energy Technology Data Exchange (ETDEWEB)

Akmansoy, P.N. [Universidade Federal do Rio Grande do Norte, Departamento de Fisica Teorica e Experimental, Natal (Brazil); Medeiros, L.G. [Universidade Estadual Paulista, Instituto de Fisica Teorica, Sao Paulo, SP (Brazil); Universidade Federal do Rio Grande do Norte, Escola de Ciencia e Tecnologia, Natal, RN (Brazil)

2018-02-15

In this work, the hydrogen's ionization energy was used to constrain the free parameter b of three Born-Infeld-like electrodynamics namely Born-Infeld itself, Logarithmic electrodynamics and Exponential electrodynamics. An analytical methodology capable of calculating the hydrogen ground state energy level correction for a generic nonlinear electrodynamics was developed. Using the experimental uncertainty in the ground state energy of the hydrogen atom, the bound b > 5.37 x 10{sup 20}K(V)/(m), where K = 2, 4√(2)/3 and √(π) for the Born-Infeld, Logarithmic and Exponential electrodynamics respectively, was established. In the particular case of Born-Infeld electrodynamics, the constraint found for b was compared with other constraints present in the literature. (orig.)

An atomic hydrogen beam to test ASACUSA’s apparatus for antihydrogen spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Diermaier, M., E-mail: martin.diermaier@oeaw.ac.at; Caradonna, P.; Kolbinger, B. [Austrian Academy of Sciences, Stefan Meyer Institute for Subatomic Physics (Austria); Malbrunot, C. [CERN (Switzerland); Massiczek, O.; Sauerzopf, C.; Simon, M. C.; Wolf, M.; Zmeskal, J.; Widmann, E. [Austrian Academy of Sciences, Stefan Meyer Institute for Subatomic Physics (Austria)

2015-08-15

The ASACUSA collaboration aims to measure the ground state hyperfine splitting (GS-HFS) of antihydrogen, the antimatter counterpart to atomic hydrogen. Comparisons of the corresponding transitions in those two systems will provide sensitive tests of the CPT symmetry, the combination of the three discrete symmetries charge conjugation, parity, and time reversal. For offline tests of the GS-HFS spectroscopy apparatus we constructed a source of cold polarised atomic hydrogen. In these proceedings we report the successful observation of the hyperfine structure transitions of atomic hydrogen with our apparatus in the earth’s magnetic field.

Large-field behavior of the LoSurdo-Stark resonances in atomic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Alvarez, G. (Departamento de Fisica Teorica, Facultad de Ciencias Fisicas, Universidad Complutense, 28040 Madrid (Spain)); Silverstone, H.J. (Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218 (United States))

1994-12-01

The Schroedinger equation for atomic hydrogen in a large electric field [ital F] is solved by separation in parabolic coordinates. As [ital F][r arrow][infinity], the scaled field [ital f] that enters the separated equations tends to 0. Thus the large-[ital F] asymptotics depend on the small-[ital f] behavior of the separated equations, each of which in turn is equivalent to a quarticly perturbed two-dimensional anharmonic oscillator. The Bender-Wu branch cuts of the oscillator play a major role in the hydrogen asymptotics. A simple iterative algorithm permits the calculation of the branch points at which two eigenvalues coincide. We have found numerically that, as [ital F][r arrow][infinity], the separation constant [beta][sub 1] returns to the smaller of the unperturbed values [beta][sub 1][sup (0)] or [beta][sub 2][sup (0)]. At the same time, [beta][sub 2] tends to the negative of the smaller value. As the real electric field [ital F] increases from 0 to [infinity], in each case that [beta][sub 1][sup (0)] and [beta][sub 2][sup (0)] are not equal, the trajectory of either [ital f] or [ital e][sup [minus][ital i][pi

Precise Determination of the 1s Lamb Shift in Hydrogen-Like Lead and Gold Using Microcalorimeters

Science.gov (United States)

Kraft-Bermuth, S.; Andrianov, V.; Bleile, A.; Echler, A.; Egelhof, P.; Grabitz, P.; Ilieva, S.; Kiselev, O.; Kilbourne, C.; McCammon, D.;

Reactivity and Catalytic Activity of Hydrogen Atom Chemisorbed Silver Clusters.

Science.gov (United States)

Manzoor, Dar; Pal, Sourav

2015-06-18

Metal clusters of silver have attracted recent interest of researchers as a result of their potential in different catalytic applications and low cost. However, due to the completely filled d orbital and very high first ionization potential of the silver atom, the silver-based catalysts interact very weakly with the reacting molecules. In the current work, density functional theory calculations were carried out to investigate the effect of hydrogen atom chemisorption on the reactivity and catalytic properties of inert silver clusters. Our results affirm that the hydrogen atom chemisorption leads to enhancement in the binding energy of the adsorbed O2 molecule on the inert silver clusters. The increase in the binding energy is also characterized by the decrease in the Ag-O and increase in the O-O bond lengths in the case of the AgnH silver clusters. Pertinent to the increase in the O-O bond length, a significant red shift in the O-O stretching frequency is also noted in the case of the AgnH silver clusters. Moreover, the hydrogen atom chemisorbed silver clusters show low reaction barriers and high heat of formation of the final products for the environmentally important CO oxidation reaction as compared to the parent catalytically inactive clusters. The obtained results were compared with those of the corresponding gold and hydrogen atom chemisorbed gold clusters obtained at the same level of theory. It is expected the current computational study will provide key insights for future advances in the design of efficient nanosilver-based catalysts through the adsorption of a small atom or a ligand.

Role of hydrogen in the chemical vapor deposition growth of MoS2 atomic layers

Science.gov (United States)

Li, Xiao; Li, Xinming; Zang, Xiaobei; Zhu, Miao; He, Yijia; Wang, Kunlin; Xie, Dan; Zhu, Hongwei

2015-04-01

Hydrogen plays a crucial role in the chemical vapor deposition (CVD) growth of graphene. Here, we have revealed the roles of hydrogen in the two-step CVD growth of MoS2. Our study demonstrates that hydrogen acts as the following: (i) an inhibitor of the thermal-induced etching effect in the continuous film growth process; and (ii) a promoter of the desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 < x < 2) films. A high hydrogen content of more than 100% in argon forms nano-sized circle-like defects and damages the continuity and uniformity of the film. Continuous MoS2 films with a high crystallinity and a nearly perfect S/Mo atomic ratio were finally obtained after sulfurization annealing with a hydrogen content in the range of 20%-80%. This insightful understanding reveals the crucial roles of hydrogen in the CVD growth of MoS2 and paves the way for the controllable synthesis of two-dimensional materials. Electronic supplementary information (ESI) available: Low-magnification optical images; Raman spectra of 0% and 5% H2 samples; AFM characterization; Schematic of the film before and after sulfurization annealing; Schematic illustrations of two typical Raman-active phonon modes (E12g, A1g); Raman (mapping) spectra for 40% and 80% H2 samples before and after sulfurization annealing; PL spectra. See DOI: 10.1039/c5nr00904a

Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling.

Science.gov (United States)

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

2015-09-28

An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling

Energy Technology Data Exchange (ETDEWEB)

Bonfanti, Matteo, E-mail: matteo.bonfanti@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Jackson, Bret [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003 (United States); Hughes, Keith H. [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Burghardt, Irene [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main (Germany); Martinazzo, Rocco, E-mail: rocco.martinazzo@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Richerche, v. Golgi 19, 20133 Milano (Italy)

2015-09-28

An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

Excitation and ionization of hydrogen and helium atoms by femtosecond laser pulses: theoretical approach by Coulomb-Volkov states

International Nuclear Information System (INIS)

Guichard, R.

2007-12-01

We present a theoretical approach using Coulomb-Volkov states that appears useful for the study of atomic multi-photonic processes induced by intense XUV femtosecond laser pulses. It predicts hydrogen ionization spectra when it is irradiated by laser pulses in perturbations conditions. Three ways have been investigated. Extension to strong fields when ℎω > I p : it requires to include the hydrogen ground state population, introducing it in standard Coulomb-Volkov amplitude leads to saturated multi-photonic ionization. Extension to multi-photonic transitions with ℎω p : new quantum paths are open by the possibility to excite the lower hydrogen bound states. Multiphoton excitation of these states is investigated using a Coulomb-Volkov approach. Extension to helium: two-photon double ionization study shows the influence of electronic correlations in both ground and final state. Huge quantity of information such as angular and energetic distributions as well as total cross sections is available. (author)

Partially collisional model of the Titan hydrogen torus

International Nuclear Information System (INIS)

Hilton, D.A.

1987-01-01

A numerical model was developed for atomic hydrogen densities in the Titan hydrogen torus. The effects of occasional collisions were included in order to accurately simulate physical conditions inferred from the Voyager 1 and 2 Ultraviolet Spectrometer (UVS) results of Broadfoot et al. (1981) and Sandel et al. (1982). The model employed Lagrangian perturbation of orbital elements of hydrogen atoms launched from Titan and Monte Carlo simulation of collisions and loss mechanisms. The torus is found to be azimuthally symmetric with the density sharply peaked at Titan's orbit, and decreasing rapidly in the outward and perpendicular directions and more gradually inward from 17 to 5 R/sub s/. The energetic hydrogen atoms from Saturn's upper atmosphere, first predicted by Shemansky and Smith (1982), were also investigated. Collisions of these Saturnian atoms with the torus population do not contribute to the torus density, and will lead to a net loss of torus atoms if their launch speeds from Saturn extend above 40 km/sec. The Saturnian atoms produce a corona which was modeled using the theory of Chamberlain (1963)

Atomic hydrogen and oxygen adsorptions in single-walled zigzag silicon nanotubes

International Nuclear Information System (INIS)

Chen, Haoliang; Ray, Asok K.

2013-01-01

Ab initio calculations have been performed to study the electronic and geometric structure properties of zigzag silicon nanotubes. Full geometry and spin optimizations have been performed without any symmetry constraints with an all electron 3-21G* basis set and the B3LYP hybrid functional. The largest zigzag SiNT studied here, (12, 0), has a binding energy per atom of 3.584 eV. Atomic hydrogen and oxygen adsorptions on (9, 0) and (10, 0) nanotubes have also been studied by optimizing the distances of the adatoms from both inside and outside the tube. The adatom is initially placed in four adsorption sites-parallel bridge (PB), zigzag bridge (ZB), hollow, and on-top site. The on-top site is the most preferred site for hydrogen atom adsorbed on (9, 0), with an adsorption energy of 3.0 eV and an optimized distance of 1.49 Å from the adatom to the nearest silicon atom. For oxygen adsorption on (9, 0), the most preferred site is the ZB site, with an adsorption energy of 5.987 eV and an optimized distance of 1.72 Å. For atomic hydrogen adsorption on (10, 0), the most preferred site is also the on-top site with an adsorption energy of 3.174 eV and an optimized distance of 1.49 Å. For adsorption of atomic oxygen on (10, 0), the most preferred site is PB site, with an adsorption energy of 6.306 eV and an optimized distance of 1.71 Å. The HOMO–LUMO gaps of (9, 0) after adsorptions of hydrogen and oxygen atoms decrease while the HOMO–LUMO gaps of (10, 0) increase after adsorption of hydrogen and oxygen

Two-step photoionization of hydrogen atoms in interplanetary space

International Nuclear Information System (INIS)

Gruntman, M.A.

1990-01-01

Photoionization is one of the key processes which determine the properties of fluxes of neutral atoms in interplanetary space. A new two-step channel (called indirect) of photoionization of hydrogen atoms is proposed. Hydrogen atoms are at first excited to states with principal quantum number n > 2, then decay to metastable H(2S) states, where they can be photoionized. Competing processes due to the interaction with solar wind plasma and solar radiation are considered and the photoionization rate through the proposed indirect channel is calculated. This rate depends on distance from the Sun as ∝ 1/R 4 at large distances (R > 1-2 a.u.) and as ∝ 1/R 2 at close approaches, where it is higher than the rate of direct photoionization. (author)

Charge degeneracy removal in the screened hydrogen atom

International Nuclear Information System (INIS)

Penna, Andre L A; Diniz, Joao B; Oliveira, Fernando A

2009-01-01

We derive an analytical model for the states of the screened hydrogen atom by using a new charge degeneracy removal approach. Starting from the nonzero Thomas-Fermi parameter q, we show that screening effect is due to breaks of the charge degeneracy in each quantum level of the hydrogen atom. The charge degeneracy removal reparametrizes the atomic system through the effective nuclear charge α n,l and the appearance of a dual charge γ n,l for each quantum level. In this approach, we show that the screening of a quantum state depends hierarchically on the screening from all previous quantum states with the same angular quantum numbers. The excited state energies E n,l (q) are analytically found taking into account the contribution of this new charge degeneracy for each quantum level. Finally, we also have estimated accurate critical screening parameters q* n,l for the bound-unbound transition.

The 4-particle hydrogen-anti-hydrogen system revisited. Twofold molecular Hamiltonian symmetry and natural atom anti-hydrogen

International Nuclear Information System (INIS)

Van Hooydonk, G.

2005-01-01

The historical importance of the original quantum mechanical bond theory proposed by Heitler and London in 1927 as well as its pitfalls are reviewed. Modern ab initio treatments of H-H-bar systems are inconsistent with the logic behind algebraic Hamiltonians H ± = H 0 ± ΔH for charge-symmetrical and charge-asymmetrical 4 unit charge systems like H 2 and HH-bar. Their eigenvalues are exactly those of 1927 Heitler-London (HL) theory. Since these 2 Hamiltonians are mutually exclusive, only the attractive one can apply for stable natural molecular H 2 . A wrong choice leads to problems with anti-atom H-bar. In line with earlier results on band and line spectra, we now prove that HL chose the wrong Hamiltonian for H 2 . Their theory explains the stability of attractive system H 2 with a repulsive Hamiltonian H 0 + ΔH instead of with the attractive one H 0 - ΔH, representative for charge-asymmetrical system HH-bar. A new second order symmetry effect is detected in this attractive Hamiltonian, which leads to a 3-dimensional structure for the 4-particle system. Repulsive HL Hamiltonian H + applies at long range but at the critical distance, attractive charge-inverted Hamiltonian H - takes over and leads to bond H 2 but in reality, HH-bar, for which we give an analytical proof. This analysis confirms and generalizes an earlier critique of the wrong long range behavior of HL-theory by Bingel, Preuss and Schmidtke and by Herring. Another wrong asymptote choice in the past also applies for atomic anti-hydrogen H-bar, which has hidden the Mexican hat potential for natural hydrogen. This generic solution removes most problems, physicists and chemists experience with atomic H-bar and molecular HH-bar, including the problem with antimatter in the Universe. (author)

Electron capture to the continuum from atomic hydrogen

International Nuclear Information System (INIS)

Glass, G.A.; Engar, P.; Berry, S.D.; Breinig, M.; Deserio, R.; Elston, S.B.; Sellin, I.A.

1984-01-01

The first known measurement of the differential cross section for electron capture to the continuum(ECC) from atomic hydrogen is presented. A 12 MeV beam of C 6+ ions traversed a static target of atomic hydrogen produced by an electron impact heated dissociation oven. The resulting ECC spectrum was obtained with a channel electron multiplier detector mounted at the exit of a 160 0 spherical sector electrostatic spectrometer with an angular acceptance of 2 0 . The ECC spectrum clearly shows the asymmetry generally associated with ECC spectra from gaseous targets. The ratio of the singly differential cross section of H to that of H 2 was found to be 0.80. 16 references, 3 figures

Interaction of atomic hydrogen with charcoal at 77 K

International Nuclear Information System (INIS)

Gorodetsky, A.E.; Vnukov, S.P.; Zalavutdinov, R.Kh.; Zakharov, A.P.; Buryak, A.K.; Ulyanov, A.V.; Federici, G.; Day, Chr.

2005-01-01

Charcoal is a working material of sorption cryopumps in the ITER project. The interaction of thermal hydrogen molecules and atoms with charcoal has been analyzed by TDS (77-300 K) and sorption measurements at 77 K. A stream quartz reactor with an H 2 RF discharge was used for the production of H atoms. The ratio of H and H 2 in the gas mixture in the afterglow zone was ∼10 -4 , hydrogen flow and inlet pressure were 6.9 sccm and 30 Pa, respectively. After exposure in the H/H 2 mixture during 1 hour the marked change in the shape of the TD spectra and decrease of the charcoal sorption capacity for hydrogen and nitrogen were detected. A wide spectrum of hydrocarbon fragments formed at 77 K was registered by mass-spectrometry at charcoal heating up to 700 K. The specific adsorption volume of charcoal, which was measured by N 2 adsorption at 77 K, decreased directly as amount of H atoms passed through the section with charcoal. (author)

Free hydrogen atom collision cross sections of interest in controlled thermonuclear research

Energy Technology Data Exchange (ETDEWEB)

Fite, W L [John Jay Hopkins Laboratory for Pure and Applied Science, General Atomic Division of General Dynamics Corporation, San Diego, CA (United States)

1958-07-01

The present paper summarizes the results of measurements of the cross sections of hydrogen atoms for: (1) ionization, (2) excitation of Lyman alpha radiation on electron impact, and (3) elastic scattering of electrons of energy less than 10 eV; and also describes the approach of measurements now in progress on (4) charge-exchange between deuterons and deuterium atoms and (5) ionization of the hydrogen atom on proton impact.

Excitation and ionization of hydrogen and helium atoms by femtosecond laser pulses: theoretical approach by Coulomb-Volkov states; Excitation et ionisation des atomes d'hydrogene et d'helium par des impulsions laser femtosecondes: approche theorique par des etats de Coulomb-Volkov

Energy Technology Data Exchange (ETDEWEB)

Guichard, R

2007-12-15

We present a theoretical approach using Coulomb-Volkov states that appears useful for the study of atomic multi-photonic processes induced by intense XUV femtosecond laser pulses. It predicts hydrogen ionization spectra when it is irradiated by laser pulses in perturbations conditions. Three ways have been investigated. Extension to strong fields when {Dirac_h}{omega} > I{sub p}: it requires to include the hydrogen ground state population, introducing it in standard Coulomb-Volkov amplitude leads to saturated multi-photonic ionization. Extension to multi-photonic transitions with {Dirac_h}{omega} < I{sub p}: new quantum paths are open by the possibility to excite the lower hydrogen bound states. Multiphoton excitation of these states is investigated using a Coulomb-Volkov approach. Extension to helium: two-photon double ionization study shows the influence of electronic correlations in both ground and final state. Huge quantity of information such as angular and energetic distributions as well as total cross sections is available. (author)

Schrodinger Equation Solutions that Lead to the Solution for the Hydrogen Atom

Science.gov (United States)

Newhouse, Paul F.; McGill, K.C.

2004-01-01

Two exercises that would provide beginning quantum theory students with an introduction to more advanced quantum mechanical treatments, especially the hydrogen atom are given. The exercises are stepwise in difficulty, leading naturally to the full hydrogen atom development and greatly extend the pedagogy of most multidimensional Cartesian systems…

Near-surface hydrogen depletion of diamond-like carbon films produced by direct ion deposition

Energy Technology Data Exchange (ETDEWEB)

Markwitz, Andreas, E-mail: A.Markwitz@gns.cri.nz [GNS Science, Lower Hutt (New Zealand); The MacDiarmid Institute for Advanced Materials and Nanotechnology (New Zealand); Gupta, Prasanth [GNS Science, Lower Hutt (New Zealand); The MacDiarmid Institute for Advanced Materials and Nanotechnology (New Zealand); Mohr, Berit [GNS Science, Lower Hutt (New Zealand); Hübner, René [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (Germany); Leveneur, Jerome; Zondervan, Albert [GNS Science, Lower Hutt (New Zealand); Becker, Hans-Werner [RUBION, Ruhr-University Bochum (Germany)

2016-03-15

Amorphous atomically flat diamond-like carbon (DLC) coatings were produced by direct ion deposition using a system based on a Penning ion source, butane precursor gas and post acceleration. Hydrogen depth profiles of the DLC coatings were measured with the 15N R-NRA method using the resonant nuclear reaction {sup 1}H({sup 15}N, αγ){sup 12}C (E{sub res} = 6.385 MeV). The films produced at 3.0–10.5 kV acceleration voltage show two main effects. First, compared to average elemental composition of the film, the near-surface region is hydrogen depleted. The increase of the hydrogen concentration by 3% from the near-surface region towards the bulk is attributed to a growth model which favours the formation of sp{sup 2} hybridised carbon rich films in the film formation zone. Secondly, the depth at which the maximum hydrogen concentration is measured increases with acceleration voltage and is proportional to the penetration depth of protons produced by the ion source from the precursor gas. The observed effects are explained by a deposition process that takes into account the contributions of ion species, hydrogen effusion and preferential displacement of atoms during direct ion deposition.

Collisional destruction of fast hydrogen Rydberg atoms

International Nuclear Information System (INIS)

King, M.R.

1984-01-01

A new modulated electric field technique was developed to study Rydberg atom destruction processes in a fast beam. The process of destruction of a band of Rydberg atom destruction of a band of Rydberg atoms through the combined processes of ionization, excitation, and deexcitation was studied for collisions with gas targets. Rydberg atoms of hydrogen were formed by electron capture, and detected by field ionization. The modulated field technique described proved to be an effective technique for producing a large signal for accurate cross section measurements. The independent particle model for Rydberg atom destruction processes was found to hold well for collisions with molecular nitrogen, argon, and carbon dioxide. The resonances in the cross sections for the free electron scattering with these targets were found to also occur in Rydberg destruction. Suggestions for future investigations of Rydberg atom collision processes in the fast beam regime are given

Precision spectroscopy of the 2S-4P transition in atomic hydrogen

Science.gov (United States)

Maisenbacher, Lothar; Beyer, Axel; Matveev, Arthur; Grinin, Alexey; Pohl, Randolf; Khabarova, Ksenia; Kolachevsky, Nikolai; Hänsch, Theodor W.; Udem, Thomas

2017-04-01

Precision measurements of atomic hydrogen have long been successfully used to extract fundamental constants and to test bound-state QED. However, both these applications are limited by measurements of hydrogen lines other than the very precisely known 1S-2S transition. Moreover, the proton r.m.s.charge radius rp extracted from electronic hydrogen measurements currently disagrees by 4 σ with the much more precise value extracted from muonic hydrogen spectroscopy. We have measured the 2S-4P transition in atomic hydrogen using a cryogenic beam of hydrogen atoms optically excited to the initial 2S state. The first order Doppler shift of the one-photon 2S-4P transition is suppressed by actively stabilized counter-propagating laser beams and time-of-flight resolved detection. Quantum interference between excitation paths can lead to significant line distortions in our system. We use an experimentally verified, simple line shape model to take these distortions into account. With this, we can extract a new value for rp and the Rydberg constant R∞ with comparable accuracy as the combined previous H world data.

Radiation perturbation theory in gravity and quantum universe as a hydrogen atom

International Nuclear Information System (INIS)

Pervushin, V.N.

1992-01-01

In quantum theory of gravity of the (n+1)-dimensional space-time the Faddeev-Popov functional integral is constructed for radiation perturbation theory. In this version the Universe expansion looks as the collective superfluid motion of quantum space, and the vacuum energy density plays the role of the hidden mass. 6 refs

Electron scattering by hydrogen atoms

International Nuclear Information System (INIS)

Fujii, D.H.

1981-02-01

A variational method to calculate the differential cross section of the electron-hydrogen atom scattering process is presented. The second Born approximation is calculated, through a variational calculation using the energy and electronic charge simultaneously as parameters, in order to calculate the differential cross section which is written in a fractional form according to the Schwinger variational principle. Effects due to the electron change are included in the calculations. (L.C.) [pt

Periodicity and chaos in strongly perturbed classical orbitals for Coulomb interactions

Energy Technology Data Exchange (ETDEWEB)

Klar, H

1986-01-01

Within the framework of classical mechanics two prototypes of strongly perturbed orbitals, the diamagnetism in hydrogen and electronic double excitation, are analyzed near critical phase space points (fixed points). The motion of the hydrogen electron under the joint influence of the Coulomb field and the magnetic field is periodic for any field strengths. For a two-electron atom however the author finds a chaotic time evolution of the electron pair correlation, causing presumably irregular spectral patterns. (Auth.).

A model for the physical adsorption of atomic hydrogen

NARCIS (Netherlands)

Bruch, L.W.; Ruijgrok, Th.W.

1979-01-01

The formation of the holding potential of physical adsorption is studied with a model in which a hydrogen atom interacts with a perfectly imaging substrate bounded by a sharp planar surface; the exclusion of the atomic electron from the substrate is an important boundary condition in the model. The

Relativistic Quadrupole Polarizability for the Ground State of Hydrogen-Like Ions

International Nuclear Information System (INIS)

Zhang Yong-Hu; Zhang Xian-Zhou; Tang Li-Yan; Shi Ting-Yun; Mitroy Jim

2012-01-01

The static quadrupole polarizabilities for hydrogen-like ions from Z = 1 to Z = 100 in the 1S 1/2 ground state are calculated to high precision by solving the Dirac equation using the B-spline Galerkin method. The results are consistent with the expression of Kaneko [J. Phys. B 10 (1977) 3347] at low Z. The quadrupole oscillator strength sum Σ n f (2) gn is computed to be zero to a very high degree of precision. (atomic and molecular physics)

Formation of Cu, Ag and Au nanofiims under the influence of hydrogen atoms

Directory of Open Access Journals (Sweden)

Zhavzharov E. L.

2015-12-01

Full Text Available Due to their electrical properties, thin metallic films are widely used in modern micro- and nanoelectronics. These properties allow solving fundamental problems of surface and solid state physics. Up-to-date methods of producing thin films involve high vacuum or multi-stage processes, which calls for complicated equipment. The authors propose an alternative method of producing thin metallic films using atomic hydrogen. Exothermal reaction of atoms recombination in a molecule (about 4.5 eV / recombination act initiated on the solid surface by atomic hydrogen may stimulate local heating, spraying and surface atoms transfer. We investigated the process of atomic hydrogen treatment of Cu, Ag and Au metal films, obtained by thermal vacuum evaporation. There are two methods of obtaining nanofilms using atomic hydrogen treatment: sputtering and vapor-phase epitaxy. In the first method, a film is formed by reducing the thickness of the starting film. This method allows obtaining a film as thick as the monolayer. In the second method, a nanofilm is formed by deposition of metal atoms from the vapor phase. This method allows obtaining a film thickness from monolayer to ~10 nm. These methods allow creating nanofilms with controlled parameters and metal thickness. Such films would be technologically pure and have good adhesion.

Role of carbon atoms in the remote plasma deposition of hydrogenated amorphous carbon

International Nuclear Information System (INIS)

Benedikt, J.; Wisse, M.; Woen, R.V.; Engeln, R.; Sanden, M.C.M. van de

2003-01-01

The aim of this article is to determine the role of carbon atoms in the growth of hydrogenated amorphous carbon (a-C:H) films by means of an argon/acetylene expanding thermal plasma. Cavity ring down absorption spectroscopy is used to detect metastable carbon atoms by probing the 1s 2 2s 2 2p 3s 1 P 1 2 2s 2 2p 2 1 S 0 electronic transition. In addition to absorption measurements, the emission of the same transition is monitored by means of optical emission spectroscopy. These two measurements provide information about the local production of the C atoms and about their reactivity in the gas phase. It will be shown that under growth conditions in an Ar/C 2 H 2 expanding thermal plasma, the metastable carbon density is also representative for the ground state carbon density. From obtained results it is concluded that the carbon atoms react rapidly with acetylene in the gas phase and therefore their contribution to the growth of hard diamond-like a-C:H films can be neglected. Only at low acetylene flows, the condition when soft polymer-like films are deposited, carbon atoms are detected close to the substrate and can possibly contribute to the film growth

Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

Energy Technology Data Exchange (ETDEWEB)

Abdullahi, Yusuf Zuntu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Kaduna State University, P.M.B. 2339, Kaduna State (Nigeria); Rahman, Md. Mahmudur, E-mail: mahmudur@upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Shuaibu, Alhassan [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M.B 2109 Kaduna (Nigeria); Abubakar, Shamsu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Yobe State University, P.M.B. 1144, Yobe State (Nigeria); Zainuddin, Hishamuddin [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Institute for Mathematical Research, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Muhida, Rifki [Department of Physics-Energy Engineering, Surya University, Gedung 01 Scientia Business Park, Jl. Boulevard Gading Serpong Blok O/1, Summarecon Serpong, Tangerang 15810, Banten (Indonesia); Setiyanto, Henry [Analytical Chemistry Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha no. 10, Bandung 40132 (Indonesia)

2014-08-15

In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

International Nuclear Information System (INIS)

Abdullahi, Yusuf Zuntu; Rahman, Md. Mahmudur; Shuaibu, Alhassan; Abubakar, Shamsu; Zainuddin, Hishamuddin; Muhida, Rifki; Setiyanto, Henry

2014-01-01

In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Tachikawa, Hiroto, E-mail: hiroto@eng.hokudai.ac.jp

2017-02-28

Highlights: • The reaction pathway of the hydrogen addition to graphene surface was determined by the DFT method. • Binding energies of atomic hydrogen to graphene surface were determined. • Absorption spectrum of hydrogenated graphene was theoretically predicted. • Hyperfine coupling constant of hydrogenated graphene was theoretically predicted. - Abstract: Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4–37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2–7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8–28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

Investigation of the Mechanism of Electron Capture and Electron Transfer Dissociation of Peptides with a Covalently Attached Free Radical Hydrogen Atom Scavenger.

Science.gov (United States)

Sohn, Chang Ho; Yin, Sheng; Peng, Ivory; Loo, Joseph A; Beauchamp, J L

2015-11-15

The mechanisms of electron capture and electron transfer dissociation (ECD and ETD) are investigated by covalently attaching a free-radical hydrogen atom scavenger to a peptide. The 2,2,6,6-tetramethylpiperidin-l-oxyl (TEMPO) radical was chosen as the scavenger due to its high hydrogen atom affinity (ca. 280 kJ/mol) and low electron affinity (ca. 0.45 ev), and was derivatized to the model peptide, FQX TEMPO EEQQQTEDELQDK. The X TEMPO residue represents a cysteinyl residue derivatized with an acetamido-TEMPO group. The acetamide group without TEMPO was also examined as a control. The gas phase proton affinity (882 kJ/mol) of TEMPO is similar to backbone amide carbonyls (889 kJ/mol), minimizing perturbation to internal solvation and sites of protonation of the derivatized peptides. Collision induced dissociation (CID) of the TEMPO tagged peptide dication generated stable odd-electron b and y type ions without indication of any TEMPO radical induced fragmentation initiated by hydrogen abstraction. The type and abundance of fragment ions observed in the CID spectra of the TEMPO and acetamide tagged peptides are very similar. However, ECD of the TEMPO labeled peptide dication yielded no backbone cleavage. We propose that a labile hydrogen atom in the charge reduced radical ions is scavenged by the TEMPO radical moiety, resulting in inhibition of N-C α backbone cleavage processes. Supplemental activation after electron attachment (ETcaD) and CID of the charge-reduced precursor ion generated by electron transfer of the TEMPO tagged peptide dication produced a series of b + H (b H ) and y + H (y H ) ions along with some c ions having suppressed intensities, consistent with stable O-H bond formation at the TEMPO group. In summary, the results indicate that ECD and ETD backbone cleavage processes are inhibited by scavenging of a labile hydrogen atom by the localized TEMPO radical moiety. This observation supports the conjecture that ECD and ETD processes involve long

Moeller polarimetry with atomic hydrogen targets

International Nuclear Information System (INIS)

Chudakov, E.; Luppov, V.

2005-01-01

A novel proposal of using polarized atomic hydrogen gas, stored in an ultra-cold magnetic trap, as the target for electron beam polarimetry based on Moeller scattering is discussed. Such a target of practically 100% polarized electrons could provide a superb systematic accuracy of about 0.5% for beam polarization measurements. Feasibility studies for the CEBAF electron beam have been performed. (orig.)

Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

Science.gov (United States)

Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

2018-06-01

A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

Entropy and complexity analysis of hydrogenic Rydberg atoms

Energy Technology Data Exchange (ETDEWEB)

Lopez-Rosa, S. [Instituto Carlos I de Fisica Teorica y Computacional, Universidad de Granada, 18071-Granada (Spain); Departamento de Fisica Aplicada II, Universidad de Sevilla, 41012-Sevilla (Spain); Toranzo, I. V.; Dehesa, J. S. [Instituto Carlos I de Fisica Teorica y Computacional, Universidad de Granada, 18071-Granada (Spain); Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Granada, 18071-Granada (Spain); Sanchez-Moreno, P. [Instituto Carlos I de Fisica Teorica y Computacional, Universidad de Granada, 18071-Granada (Spain); Departamento de Matematica Aplicada, Universidad de Granada, 18071-Granada (Spain)

2013-05-15

The internal disorder of hydrogenic Rydberg atoms as contained in their position and momentum probability densities is examined by means of the following information-theoretic spreading quantities: the radial and logarithmic expectation values, the Shannon entropy, and the Fisher information. As well, the complexity measures of Cramer-Rao, Fisher-Shannon, and Lopez Ruiz-Mancini-Calvet types are investigated in both reciprocal spaces. The leading term of these quantities is rigorously calculated by use of the asymptotic properties of the concomitant entropic functionals of the Laguerre and Gegenbauer orthogonal polynomials which control the wavefunctions of the Rydberg states in both position and momentum spaces. The associated generalized Heisenberg-like, logarithmic and entropic uncertainty relations are also given. Finally, application to linear (l= 0), circular (l=n- 1), and quasicircular (l=n- 2) states is explicitly done.

Hydrogen atom moving across a magnetic field

International Nuclear Information System (INIS)

Lozovik, Yu.E.; Volkov, S.Yu.

2004-01-01

A hydrogen atom moving across a magnetic field is considered in a wide region of magnitudes of magnetic field and atom momentum. We solve the Schroedinger equation of the system numerically using an imaginary time method and find wave functions of the lowest states of atom. We calculate the energy and the mean electron-nucleus separation as a function of atom momentum and magnetic field. All the results obtained could be summarized as a phase diagram on the 'atom-momentum - magnetic-field' plane. There are transformations of wave-function structure at critical values of atom momentum and magnetic field that result in a specific behavior of dependencies of energy and mean interparticle separation on the atom momentum P. We discuss a transition from the Zeeman regime to the high magnetic field regime. A qualitative analysis of the complicated behavior of wave functions vs P based on the effective potential examination is given. We analyze a sharp transition at the critical momentum from a Coulomb-type state polarized due to atom motion to a strongly decentered (Landau-type) state at low magnetic fields. A crossover occurring at intermediate magnetic fields is also studied

Crystallographic and magnetic property changes upon hydrogen absorption in Hf2Fe

International Nuclear Information System (INIS)

Vulliet, P.; Teisseron, G.; Jeandey, C.; Oddou, J.L.; Yaouanc, A.

1984-04-01

We have found that the cubic intermetallic compound Hf 2 Fe can absorb almost up to five hydrogen atoms per formula at a pressure of one atmosphere. Hf 2 Fe is a Pauli magnet. Upon hydrogen absorption a magnetic moment definitively appears on iron, starting at approximately 1.5 hydrogen concentration. A maximum in the saturation magnetic moment is observed in Hf 2 FeH 3 . The static low field susceptibility presents a maximum value and a non reversible behaviour. These properties are characteristic of a disordered magnetic system (spin-glass like). The γ-γ perturbed angular correlation spectra indicate that at low concentration, the hydrogen is localized only near one type of Hf. From our Moessbauer data we measure a shift in the isomer-shift which is consistent with what is already known. When decreasing the temperature and increasing the hydrogen concentration the spectra get less resolved. This is linked to the fact that the samples are in a disordered magnetic phase

Perturbation of formate pathway for hydrogen production by expressions of formate hydrogen lyase and its transcriptional activator in wild Enterobacter aerogenes and its mutants

Energy Technology Data Exchange (ETDEWEB)

Lu, Yuan; Zhao, Hongxin; Zhang, Chong; Lai, Qiheng; Xing, Xin-Hui [Institute of Biochemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China)

2009-06-15

To examine perturbation effects of formate pathway on hydrogen productivity in Enterobacter aerogenes (Ea), formate dehydrogenase FDH-H gene (fdhF) and formate hydrogen lyase activator protein FHLA gene (fhlA) originated from Escherichia coli, were overexpressed in the wild strain Ea, its hycA-deleted mutant (A) by knockout the formate hydrogen lyase repressor and hybO-deleted mutant (O) by knockout of the uptake hydrogenase, respectively. Overexpression of fdhF and fhlA promoted cell growth and volumetric hydrogen production rates of all the strains, and the hydrogen production per gram cell dry weight (CDW) for Ea, A and O was increased by 38.5%, 21.8% and 5.25%, respectively. The fdhF and fhlA overexpression improved the hydrogen yield per mol glucose of strains Ea and A, but declined that of strain O. The increase of hydrogen yield of the strain Ea with fdhF and fhlA expression was mainly attributed to the increase of formate pathway, while for the mutant A, the improved hydrogen yield with fdhF and fhlA expression was mainly due to the increase of NADH pathway. Analysis of the metabolites and ratio of ethanol-to-acetate showed that the cellular redox state balance and energy level were also changed for these strains by fdhF and fhlA expression. These findings demonstrated that the hydrogen production was not only dependent on the hydrogenase genes, but was also affected by the regulation of the whole metabolism. Therefore, fdhF and fhlA expression in different strains of E. aerogenes could exhibit different perturbation effects on the metabolism and the hydrogen productivity. (author)

Silicon solar cell performance deposited by diamond like carbon thin film ;Atomic oxygen effects;

Science.gov (United States)

Aghaei, Abbas Ail; Eshaghi, Akbar; Karami, Esmaeil

2017-09-01

In this research, a diamond-like carbon thin film was deposited on p-type polycrystalline silicon solar cell via plasma-enhanced chemical vapor deposition method by using methane and hydrogen gases. The effect of atomic oxygen on the functioning of silicon coated DLC thin film and silicon was investigated. Raman spectroscopy, field emission scanning electron microscopy, atomic force microscopy and attenuated total reflection-Fourier transform infrared spectroscopy were used to characterize the structure and morphology of the DLC thin film. Photocurrent-voltage characteristics of the silicon solar cell were carried out using a solar simulator. The results showed that atomic oxygen exposure induced the including oxidation, structural changes, cross-linking reactions and bond breaking of the DLC film; thus reducing the optical properties. The photocurrent-voltage characteristics showed that although the properties of the fabricated thin film were decreased after being exposed to destructive rays, when compared with solar cell without any coating, it could protect it in atomic oxygen condition enhancing solar cell efficiency up to 12%. Thus, it can be said that diamond-like carbon thin layer protect the solar cell against atomic oxygen exposure.

The atomic hydrogen cloud in the saturnian system

Science.gov (United States)

Tseng, W.-L.; Johnson, R. E.; Ip, W.-H.

2013-09-01

The importance of Titan's H torus shaped by solar radiation pressure and of hydrogen atoms flowing out of Saturn's atmosphere in forming the broad hydrogen cloud in Saturn's magnetosphere is still debated. Since the Saturnian system also contains a water product torus which originates from the Enceladus plumes, the icy ring particles, and the inner icy satellites, as well as Titan's H2 torus, we have carried out a global investigation of the atomic hydrogen cloud taking into account all sources. We show that the velocity and angle distributions of the hot H ejected from Saturn's atmosphere following electron-impact dissociation of H2 are modified by collisions with the ambient atmospheric H2 and H. This in turn affects the morphology of the escaping hydrogen from Saturn, as does the morphology of the ionospheric electron distribution. Although an exact agreement with the Cassini observations is not obtained, our simulations show that H directly escaping from Titan is the dominant contributor in the outer magnetosphere. Of the total number of H observed by Cassini from 1 to 5RS, ∼5.7×1034, our simulations suggest ∼20% is from dissociation in the Enceladus torus, ∼5-10% is from dissociation of H2 in the atmosphere of the main rings, and ∼50% is from Titan's H torus, implying that ∼20% comes from Saturn atmosphere.

Atomic physics

International Nuclear Information System (INIS)

Anon.

1976-01-01

Research activities in atomic physics at Lawrence Berkeley Laboratory during 1976 are described. Topics covered include: experiments on stored ions; test for parity violation in neutral weak currents; energy conservation and astrophysics; atomic absorption spectroscopy, atomic and molecular detectors; theoretical studies of quantum electrodynamics and high-z ions; atomic beam magnetic resonance; radiative decay from the 2 3 Po, 2 levels of helium-like argon; quenching of the metastable 2S/sub 1/2/ state of hydrogen-like argon in an external electric field; and lifetime of the 2 3 Po level of helium-like krypton

Hydrogen atoms in the presence of a homogeneous magnetic field

International Nuclear Information System (INIS)

Brandi, H.S.; Koiller, B.

1978-01-01

A variational scheme to obtain the spectrum of the hydrogen atom in the presence of an external homogeneous magnetic field is proposed. Two different sets of basis function to diagonalize the Hamiltonian describing the system are used, namely the eigenfunctions of the free hydrogen atom and of the three-dimensional harmonic oscillator; both having their radial coordinates properly scaled by a variational parammeter. Because of its characteristics, the present approach is suitable to describe the ground state as well as an infinite number of excited states also for a wide range of magnetic field strengths [pt

ESR study on hydrogen-atom abstraction in cryogenic organic solids

International Nuclear Information System (INIS)

Ichikawa, Tsuneki

1995-01-01

The present paper summarizes our recent results on the hydrogen-atom abstraction from protiated alkane molecule by deuterium atoms in cryogenic deuterated organic solids, obtained by the X-band ESR and electron spin-echo measurements of the product alkyl radicals at cryogenic temperatures. (J.P.N.)

Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis

NARCIS (Netherlands)

Helmich-Paris, B.; Knecht, Stefan

2017-01-01

In the present article, we show how to formulate the partially contracted n-electron valence second-order perturbation theory (NEVPT2) energies in the atomic and active molecular orbital basis by employing the Laplace transformation of orbital-energy denominators (OEDs). As atomic-orbital (AO) basis

Electronic dipole moment and tunneling state of hydrogen atom in hydrogen-bond materials revealed by neutron and X-ray structure analyses

International Nuclear Information System (INIS)

Kiyanagi, Ryoji; Noda, Yukio; Mochida, Tomoyuki; Sugawara, Tadashi

2007-01-01

The isolated hydrogen-bonded materials, 5-methyl-9-hydroxyphenalenone (MeHPLN) and 5-bromo-9-hydroxyphenalenone (Br-HPLN), were studied by means of X-ray and neutron diffraction methods. It was found that the position of the nucleus of the hydrogen atom in the hydrogen-bond region does not agree with the center of mass of the electron cloud of the hydrogen atom. This leads to a local electronic dipole moment in the hydrogen-bond region. Using the experimentally obtained dipole moment, phase transition temperatures for MeHPLN and BrHPLN were calculated based on a tunneling model. Result shows good agreement with the ones obtained by a dielectric measurement. (author)

Moller Polarimetry with Atomic Hydrogen Targets

International Nuclear Information System (INIS)

Chudakov, Eugene; Luppov, V.

2012-01-01

A proposal to use polarized atomic hydrogen gas as the target for electron beam polarimetry based on the Moller scattering is described. Such a gas, stored in an ultra-cold magnetic trap, would provide a target of practically 100% polarized electrons. It is conceivable to reach a ∼0.3% systematic accuracy of the beam polarimetry with such a target. Feasibility studies for the CEBAF electron beam have been performed

Detection of hot muonic hydrogen atoms emitted in vacuum using x-rays

International Nuclear Information System (INIS)

Jacot-Guillarmod, R.; Bailey, J.M.; Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A.; Beveridge, J.L.; Marshall, G.M.; Brewer, J.H.; Forster, B.M.; Huber, T.M.; Kammel, P.; Zmeskal, J.; Petitjean, C.

1992-01-01

Negative muons are stopped in solid layers of hydrogen and neon. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. It was found that the time structure of the muonic neon X-rays follows the exponential law where the rate is the same as the disappearance rate of μ - p atoms. The ppμ-formation rate and the muon transfer rate to deuterium are deduced

Self-Regular Black Holes Quantized by means of an Analogue to Hydrogen Atoms

CERN Document Server

Liu, Chang; Wu, Yu-Mei; Zhang, Yu-Hao

2016-01-01

We suggest a proposal of quantization for black holes that is based on an analogy between a black hole and a hydrogen atom. A self-regular Schwarzschild-AdS black hole is investigated, where the mass density of the extreme black hole is given by the probability density of the ground state of hydrogen atoms and the mass densities of non-extreme black holes are chosen to be the probability densities of excited states with no angular momenta. Consequently, it is logical to accept quantization of mean radii of hydrogen atoms as that of black hole horizons. In this way, quantization of total black hole masses is deduced. Furthermore, the quantum hoop conjecture and the Correspondence Principle are discussed.

Perturbation theory of intermolecular interactions: What is the problem, are there solutions?

International Nuclear Information System (INIS)

Adams, W.H.

1990-01-01

We review the nature of the problem in the framework of Rayleigh-Schroedinger perturbation theory (the polarization approximation) considering explicitly two examples: the interaction of two hydrogen atoms and the interaction of Li with H. We show, in agreement with the work of Claverie and of Morgan and Simon, that the LiH problem is dramatically different from the H 2 problem. In particular, the physical states of LiH are higher in energy than an infinite number of discrete, unphysical states and they are buried in a continuum of unbound, unphysical states, which starts well below the lowest physical state. Clavrie has shown that the perturbation expansion, under these circumstances, is likely to converge to an unphysical state of lower energy than the physical ground state, if it converges at all. We review, also, the application of two classes of exchange perturbation theory to LiH and larger systems. We show that the spectra of three Eisenschitz-London (EL) class, exchange perturbation theories have no continuum of unphysical states overlaying the physical states and no discrete, unphysical states below the lowest physical state. In contrast, the spectra of two Hirschfelder-Silbey class theories differ hardly at all from that found with the polarization approximation. Not one of the EL class of perturbation theories, however, eliminates all of the discrete unphysical states

The probability of heterogeneous recombination of hydrogen atoms in low-temperature hydrogen plasma

International Nuclear Information System (INIS)

Islyaikin, A.; Rybkin, V.; Svetsov, V.

2000-01-01

In the group of the optical methods, the investigations of the process of recombination of the hydrogen atoms were studied mainly by the jet procedure, based on the measurement of the dependence of the intensity of radiation of the discharge on the speed of flow of particles which makes it possible to obtain information on the processes of annihilation of active particles on the surface of the discharge device both in the zone of plasma at outside to the zone (in the post glow region). However, to realise this method, it is necessary to use higher linear speed of the flow of the particles and this creates additional technical difficulties. A similar disadvantage is not found in the calculation methods of technical application with special reference to the examination of the processes of heterogeneous recombination of the atoms in the low-temperature hydrogen plasma is the main task of this work

Structure of the Balmer jump. The isolated hydrogen atom

Science.gov (United States)

Calvo, F.; Belluzzi, L.; Steiner, O.

2018-06-01

Context. The spectrum of the hydrogen atom was explained by Bohr more than one century ago. We revisit here some of the aspects of the underlying quantum structure, with a modern formalism, focusing on the limit of the Balmer series. Aims: We investigate the behaviour of the absorption coefficient of the isolated hydrogen atom in the neighbourhood of the Balmer limit. Methods: We analytically computed the total cross-section arising from bound-bound and bound-free transitions in the isolated hydrogen atom at the Balmer limit, and established a simplified semi-analytical model for the surroundings of that limit. We worked within the framework of the formalism of Landi Degl'Innocenti & Landolfi (2004, Astrophys. Space Sci. Lib., 307), which permits an almost straight-forward generalization of our results to other atoms and molecules, and which is perfectly suitable for including polarization phenomena in the problem. Results: We analytically show that there is no discontinuity at the Balmer limit, even though the concept of a "Balmer jump" is still meaningful. Furthermore, we give a possible definition of the location of the Balmer jump, and we check that this location is dependent on the broadening mechanisms. At the Balmer limit, we compute the cross-section in a fully analytical way. Conclusions: The Balmer jump is produced by a rapid drop of the total Balmer cross-section, yet this variation is smooth and continuous when both bound-bound and bound-free processes are taken into account, and its shape and location is dependent on the broadening mechanisms.

Entropy and complexity analysis of hydrogenic Rydberg atoms

International Nuclear Information System (INIS)

López-Rosa, S.; Toranzo, I. V.; Dehesa, J. S.; Sánchez-Moreno, P.

2013-01-01

The internal disorder of hydrogenic Rydberg atoms as contained in their position and momentum probability densities is examined by means of the following information-theoretic spreading quantities: the radial and logarithmic expectation values, the Shannon entropy, and the Fisher information. As well, the complexity measures of Crámer-Rao, Fisher-Shannon, and López Ruiz-Mancini-Calvet types are investigated in both reciprocal spaces. The leading term of these quantities is rigorously calculated by use of the asymptotic properties of the concomitant entropic functionals of the Laguerre and Gegenbauer orthogonal polynomials which control the wavefunctions of the Rydberg states in both position and momentum spaces. The associated generalized Heisenberg-like, logarithmic and entropic uncertainty relations are also given. Finally, application to linear (l= 0), circular (l=n− 1), and quasicircular (l=n− 2) states is explicitly done.

Metal-loaded SBA-16-like silica – Correlation between basicity and affinity towards hydrogen

International Nuclear Information System (INIS)

Ouargli-Saker, R.; Bouazizi, N.; Boukoussa, B.; Barrimo, Diana; Paola-Nunes-Beltrao, Ana; Azzouz, A.

2017-01-01

Highlights: • Metal dispersion in longitudinal channels confers adsorption properties to SBA-16. • Both Fe"0-NPs and Cu"0-NPs seem to be responsible of this effect. • Effect of the repetitive adsorption-desorption cycles on CO_2 and water sorption. • Hydrogen storage on the functionalized materials. - Abstract: Nanoparticles of Cu"o (CuNPs) and Fe"o (FeNPs) were dispersed in SBA-16-like silica, resulting metal-loaded materials (Cu-SBA-16 and Fe-SBA-16) with improved affinity towards hydrogen. Electron microscopy and X-ray diffraction showed that MNP dispersion occurs mainly inside SBA-16 channels. MNP incorporation was found to confer affinity to the silica surface, since higher CO_2 retention capacity (CRC) was registered Cu/SBA-16 and Fe/SBA-16. This was accompanied by a significant improvement of the affinity towards hydrogen, as supported by hydrogen adsorption tests. This was explained in terms of strong hydrogen interaction with MNP and lattice oxygen atoms. The results reported herein open new prospects for SBA-16 as potential adsorbents for hydrogen storage.

Metal-loaded SBA-16-like silica – Correlation between basicity and affinity towards hydrogen

Energy Technology Data Exchange (ETDEWEB)

Ouargli-Saker, R. [Department of Materials Engineering, University of Science and Technology, El M’naouer, BP 1505, Oran (Algeria); Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Bouazizi, N. [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Unité de recherche, Electrochimie, Matériaux et Environnement, Faculté des Sciences de Gabès, Université de Gabès, Cité Erriadh, 6072 Gabès (Tunisia); Boukoussa, B. [Department of Materials Engineering, University of Science and Technology, El M’naouer, BP 1505, Oran (Algeria); Lqamb, Laboratório de Química Analítica Ambiental, Faculdade de Química, Pontifícia Universidade Católica do Rio Grande do Sul (Brazil); Barrimo, Diana [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Paola-Nunes-Beltrao, Ana [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Laboratory of Materials Chemistry L.C.M, University of Oran1 Ahmed Ben Bella, BP 1524, El-Mnaouer, 31000 Oran (Algeria); Azzouz, A., E-mail: azzouz.a@uqam.ca [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada)

2017-07-31

Highlights: • Metal dispersion in longitudinal channels confers adsorption properties to SBA-16. • Both Fe{sup 0}-NPs and Cu{sup 0}-NPs seem to be responsible of this effect. • Effect of the repetitive adsorption-desorption cycles on CO{sub 2} and water sorption. • Hydrogen storage on the functionalized materials. - Abstract: Nanoparticles of Cu{sup o} (CuNPs) and Fe{sup o} (FeNPs) were dispersed in SBA-16-like silica, resulting metal-loaded materials (Cu-SBA-16 and Fe-SBA-16) with improved affinity towards hydrogen. Electron microscopy and X-ray diffraction showed that MNP dispersion occurs mainly inside SBA-16 channels. MNP incorporation was found to confer affinity to the silica surface, since higher CO{sub 2} retention capacity (CRC) was registered Cu/SBA-16 and Fe/SBA-16. This was accompanied by a significant improvement of the affinity towards hydrogen, as supported by hydrogen adsorption tests. This was explained in terms of strong hydrogen interaction with MNP and lattice oxygen atoms. The results reported herein open new prospects for SBA-16 as potential adsorbents for hydrogen storage.

Laser diagnostics of atomic hydrogen and oxygen production in rf and microwave plasma discharges

International Nuclear Information System (INIS)

Preppernau, B.L.

1993-01-01

The research for this thesis involved the application of two-photon allowed laser-induced fluorescence (TALIF) to the study of atomic hydrogen and oxygen production in industrial scale radio-frequency and microwave plasma discharge apparatus. Absolute atomic hydrogen concentration profiles were measured in a Gaseous Electronics Conference Reference Cell installed at Wright-Patterson AFB, Ohio operating with a simple H 2 discharge. Two-dimensional atomic hydrogen concentration profiles were also measured in an ASTEX HPMM microwave plasma diamond deposition reactor during actual diamond growth. In addition absolute atomic oxygen concentrations were measured in the ASTEX system. Particular attention as paid to refining the concentration calibration technique and in determining a correction to account for the collisional quenching of excited state fluorescence in high pressure gases

Hydrogen atom kinetics in capacitively coupled plasmas

Science.gov (United States)

Nunomura, Shota; Katayama, Hirotaka; Yoshida, Isao

2017-05-01

Hydrogen (H) atom kinetics has been investigated in capacitively coupled very high frequency (VHF) discharges at powers of 16-780 mW cm-2 and H2 gas pressures of 0.1-2 Torr. The H atom density has been measured using vacuum ultra violet absorption spectroscopy (VUVAS) with a micro-discharge hollow cathode lamp as a VUV light source. The measurements have been performed in two different electrode configurations of discharges: conventional parallel-plate diode and triode with an intermediate mesh electrode. We find that in the triode configuration, the H atom density is strongly reduced across the mesh electrode. The H atom density varies from ˜1012 cm-3 to ˜1010 cm-3 by crossing the mesh with 0.2 mm in thickness and 36% in aperture ratio. The fluid model simulations for VHF discharge plasmas have been performed to study the H atom generation, diffusion and recombination kinetics. The simulations suggest that H atoms are generated in the bulk plasma, by the electron impact dissociation (e + H2 \\to e + 2H) and the ion-molecule reaction (H2 + + H2 \\to {{{H}}}3+ + H). The diffusion of H atoms is strongly limited by a mesh electrode, and thus the mesh geometry influences the spatial distribution of the H atoms. The loss of H atoms is dominated by the surface recombination.

Two-photon transitions in hydrogen atoms embedded in weakly coupled plasmas

International Nuclear Information System (INIS)

Paul, S.; Ho, Y. K.

2008-01-01

The pseudostate method has been applied to calculate energy eigenvalues and corresponding eigenfunctions of the hydrogen atom in Debye plasma environments. Resonant two-photon transition rates from the ground state of atomic hydrogen to 2s and 3s excited states have been computed as a function of photon frequency in the length and velocity gauges for different Debye lengths. A two-photon transparency is found in correspondence to each resonance for 1s-3s. The transparency frequency and resonance enhancement frequency vary significantly with the Debye length.

Electron-hydrogen atom collisions in the presence of a laser field

International Nuclear Information System (INIS)

Brandi, H.S.; Koiller, B.; Barros, H.G.P.L. de

1978-01-01

The collision of an electron and a hydrogen atom in the presence of a laser field is studied within a previously proposed approximation (based on the space translation approximation) for the bound states of the hydrogen atom. Fhe Green's function formalism is applied to derive an expression for the scattering amplitude associated to multiphoton processes. The Born-Oppenheimer approximation is obtained and numerical calculations are performed for the ls→2s inelastic excitation. It is shown as expected that exchange effects are important only for scattering processes involving low energy electrons [pt

A model for the stabilization of atomic hydrogen centers in borate glasses

International Nuclear Information System (INIS)

Pontuschka, W.M.; Isotani, S.; Furtado, W.W.; Piccini, A.; Rabbani, S.R.

1989-04-01

A model describing the trapping site of the interstitial atomic hydrogen (H sup(0) sub(i) in borate glasses x-irradiated at 77 K is proposed. The hydrogen atom is stabilized at the centers of oxygen polygons belonging to B-O ring structures in the glass network by van der Waals forces. The previously reported H sup(0) sub(i) isothermal decay experimental data are discussed in the light of this microscopic model. A coupled differential equation system describing the possible reactions was numerically solved by means of Runge-Kutta's method. The parameter best fit was found by trial and error. The untrapping parameter provided an activation energy of 0.7 x 10 sup(-19) J, in good agreement with the calculated results for dispersion interactions between the stabilized atomic hydrogen and the neighbouring oxygen atoms at the vertices of hexagonal and heptagonal structures. The retrapping and recombination parameters were found to be correlated to (T sup1/2) - T sup(1/2) sub(0)) where t sub(0)=179 K is a cutoff temperature for the kinetics process. (author)

Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Science.gov (United States)

Tachikawa, Hiroto

2017-02-01

Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4-37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2-7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8-28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

Analysis of the elastic scattering of negative muons from atomic hydrogen

International Nuclear Information System (INIS)

Muller, R.J.

1977-01-01

The total elastic cross section and the transport cross section for the scattering of negative muons from the hydrogen atom is determined by making a partial wave analysis of the elastic scattering amplitude. An effective Schrodinger equation for the muon-hydrogen system is obtained, using a static model of the field of the hydrogen atom, and its numerical solution allows the phase shifts for fifty partial waves to be obtained over a wide range of energies. A polarization potential term is then included, and the results of the scattering from the effective potential obtained are compared with the results from the static field. The results show a substantial effect of the polarization in the cross sections at low energy. The analysis of the low energy behavior of the phase shifts indicates that a substantial number of bound states for the muon exist in both the static and the static + polarization fields of hydrogen

Model study in chemisorption: atomic hydrogen on beryllium clusters

International Nuclear Information System (INIS)

Bauschlicher, C.W. Jr.

1976-08-01

The interaction between atomic hydrogen and the (0001) surface of Be metal has been studied by ab initio electronic structure theory. Self-consistent-field (SCF) calculations have been performed using minimum, optimized minimum, double zeta and mixed basis sets for clusters as large as 22 Be atoms. The binding energy and equilibrium geometry (the distance to the surface) were determined for 4 sites. Both spatially restricted (the wavefunction was constrained to transform as one of the irreducible representations of the molecular point group) and unrestricted SCF calculations were performed. Using only the optimized minimum basis set, clusters containing as many as 22 beryllium atoms have been investigated. From a variety of considerations, this cluster is seen to be nearly converged within the model used, providing the most reliable results for chemisorption. The site dependence of the frequency is shown to be a geometrical effect depending on the number and angle of the bonds. The diffusion of atomic hydrogen through a perfect beryllium crystal is predicted to be energetically unfavorable. The cohesive energy, the ionization energy and the singlet-triplet separation were computed for the clusters without hydrogen. These quantities can be seen as a measure of the total amount of edge effects. The chemisorptive properties are not related to the total amount of edge effects, but rather the edge effects felt by the adsorbate bonding berylliums. This lack of correlation with the total edge effects illustrates the local nature of the bonding, further strengthening the cluster model for chemisorption. A detailed discussion of the bonding and electronic structure is included. The remaining edge effects for the Be 22 cluster are discussed

Photoionization of Rydberg hydrogen atom in a magnetic field

International Nuclear Information System (INIS)

Wang, Dehua; Cheng, Shaohao; Chen, Zhaohang

2015-01-01

Highlights: • The ionization of Rydberg hydrogen atom in a magnetic field has been studied. • Oscillatory structures appear in the electron probability density distributions. • This study can guide the experimental research on the photoionization microscopy. - Abstract: The ionization of Rydberg hydrogen atom in a magnetic field has been studied on the basis of a semiclassical analysis of photoionization microscopy. The photoionization microscopy interference patterns of the photoelectron probability density distribution on a given detector plane are calculated at different scaled energies. We find that due to the interference effect of different types of electron trajectories arrived at a given point on the detector plane, oscillatory structures appear in the electron probability density distributions. The oscillatory structure of the interference pattern, which contains the spatial component of the electronic wave function, evolves sensitively on the scaled energy, through which we gain a deep understanding on the probability density distribution of the electron wave function. This study provides some reference values for the future experiment research on the photoionization microscopy of the Rydberg atom in the presence of magnetic field

First-principles calculation for the effect of hydrogen atoms on the mobility of a screw dislocation in BCC iron

International Nuclear Information System (INIS)

Itakura, Mitsuhiro; Kaburaki, Hideo; Yamaguchi, Masatake; Endo, Tatsuro; Higuchi, Kenji; Ogata, Shigenobu; Kimizuka, Hajime

2012-01-01

Effect of hydrogen atoms on the mobility of a screw dislocation in BCC iron has been evaluated using the first-principles calculation. The stable position of a hydrogen atom is found to be near the screw dislocation core and inside the core respectively when the dislocation is at the easy-core or hard-core configuration in BCC iron. The intrinsically unstable hard-core configuration of the screw dislocation is stabilized when a hydrogen atom is trapped inside the core. On the basis of this first-principles result, an elastic string model of a dislocation is developed to predict the kink motion in the presence of a hydrogen atom. It is found that a double-kink formation is facilitated when a hydrogen atom is located near a dislocation line, however, a kink motion is retarded when a hydrogen atom is behind the kink. (author)

Vibrational transitions in hydrogen bonded bimolecular complexes – A local mode perturbation theory approach to transition frequencies and intensities

DEFF Research Database (Denmark)

Mackeprang, Kasper; Kjærgaard, Henrik Grum

2017-01-01

The local mode perturbation theory (LMPT) model was developed to improve the description of hydrogen bonded XH-stretching transitions, where X is typically O or N. We present a modified version of the LMPT model to extend its application from hydrated bimolecular complexes to hydrogen bonded...

Differential cross section of atomic hydrogen photoionization

International Nuclear Information System (INIS)

Kondratovich, V.D.; Ostrovskij, V.N.

1986-01-01

Differential cross-section of atomic hydrogen photoeffect in external electric field was investigated in semiclassical approximation. Interference was described. It occurred due to the fact that infinite number of photoelectron trajectories leads to any point of classically accessible motion region. Interference picture can reach macroscopic sizes. The picture is determined by location of function nodes, describing finite electron motion along one of parabolic coordinates. The squares of external picture rings are determined only by electric field intensity in the general case at rather high energies. Quantum expression for photocurrent density was obtained using Green function in superposition of Coulomb and uniform field as well as semiclassical approximation. Possible applications of macroscopic interference picture to specification of atom ionization potentials, selective detection of atoms or particular molecules, as well as weak magnetic field and observation of Aaronov-Bom effect are discussed

The EAGLE simulations: atomic hydrogen associated with galaxies

NARCIS (Netherlands)

Crain, Robert A.; Bahé, Yannick M.; Lagos, Claudia del P.; Rahmati, Alireza; Schaye, Joop; McCarthy, Ian G.; Marasco, Antonino; Bower, Richard G.; Schaller, Matthieu; Theuns, Tom; van der Hulst, Thijs

2017-01-01

We examine the properties of atomic hydrogen (H I) associated with galaxies in the Evolution and Assembly of GaLaxies and their Environments (EAGLE) simulations of galaxy formation. EAGLE's feedback parameters were calibrated to reproduce the stellar mass function and galaxy sizes at z = 0.1, and we

Note on path integral quantization of hydrogen atom

International Nuclear Information System (INIS)

Storchak, S.N.

1988-01-01

For path integrals whose integration measures are generated by stochastic processes of a definite form (Stratonovich-type equations are a local form for stochastic differential equations of these processes) it has been shown that under quantization of hydrogen atom the reparametrization and reduction Jacobians are mutually cancelled. 12 refs

On the hydrogen atom via Wigner-Heisenberg algebra

International Nuclear Information System (INIS)

Rodrigues, R. de Lima . Unidade Academica de Educacao.

2008-01-01

We extend the usual Kustaanheimo-Stiefel 4D → 3D mapping to study and discuss a constrained super-Wigner oscillator in four dimensions. We show that the physical hydrogen atom is the system that emerges in the bosonic sector of the mapped super 3D system. (author)

Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase

Science.gov (United States)

2013-01-01

Background Hydrogen atoms represent about half of the total number of atoms in proteins and are often involved in substrate recognition and catalysis. Unfortunately, X-ray protein crystallography at usual resolution fails to access directly their positioning, mainly because light atoms display weak contributions to diffraction. However, sub-Ångstrom diffraction data, careful modeling and a proper refinement strategy can allow the positioning of a significant part of hydrogen atoms. Results A comprehensive study on the X-ray structure of the diisopropyl-fluorophosphatase (DFPase) was performed, and the hydrogen atoms were modeled, including those of solvent molecules. This model was compared to the available neutron structure of DFPase, and differences in the protein and the active site solvation were noticed. Conclusions A further examination of the DFPase X-ray structure provides substantial evidence about the presence of an activated water molecule that may constitute an interesting piece of information as regard to the enzymatic hydrolysis mechanism. PMID:23915572

Modeling hydrogen storage in boron-substituted graphene decorated with potassium metal atoms

CSIR Research Space (South Africa)

Tokarev, A

2015-03-01

Full Text Available Boron-substituted graphene decorated with potassium metal atoms was considered as a novel material for hydrogen storage. Density functional theory calculations were used to model key properties of the material, such as geometry, hydrogen packing...

An Unusual Strong Visible-Light Absorption Band in Red Anatase TiO2 Photocatalyst Induced by Atomic Hydrogen-Occupied Oxygen Vacancies.

Science.gov (United States)

Yang, Yongqiang; Yin, Li-Chang; Gong, Yue; Niu, Ping; Wang, Jian-Qiang; Gu, Lin; Chen, Xingqiu; Liu, Gang; Wang, Lianzhou; Cheng, Hui-Ming

2018-02-01

Increasing visible light absorption of classic wide-bandgap photocatalysts like TiO 2 has long been pursued in order to promote solar energy conversion. Modulating the composition and/or stoichiometry of these photocatalysts is essential to narrow their bandgap for a strong visible-light absorption band. However, the bands obtained so far normally suffer from a low absorbance and/or narrow range. Herein, in contrast to the common tail-like absorption band in hydrogen-free oxygen-deficient TiO 2 , an unusual strong absorption band spanning the full spectrum of visible light is achieved in anatase TiO 2 by intentionally introducing atomic hydrogen-mediated oxygen vacancies. Combining experimental characterizations with theoretical calculations reveals the excitation of a new subvalence band associated with atomic hydrogen filled oxygen vacancies as the origin of such band, which subsequently leads to active photo-electrochemical water oxidation under visible light. These findings could provide a powerful way of tailoring wide-bandgap semiconductors to fully capture solar light. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hydrogen atom within spherical boxes with penetrable walls

International Nuclear Information System (INIS)

Ley-Koo, E.; Rubinstein, S.

1979-01-01

We study a model for the hydrogen atom confined within spherical boxes with penetrable walls. The potential consists of the Coulomb potential inside the box and a constant potential outside the box; the Schroedinger equation admits analytical solutions in both regions. The energy eigenvalues and eigenfunctions for the lowest states of the system are determined numerically for boxes of different sizes and penetrabilities. In addition, we also evaluate the hyperfine splitting, nuclear magnetic shielding, polarizability and pressure of the system and investigate the effect of the confinement on these atomic properties

On the dynamics of excited atoms in time dependent electromagnetic fields

Energy Technology Data Exchange (ETDEWEB)

Foerre, Morten

2004-06-01

This thesis is composed of seven scientific publications written in the period 2001-2004. The focus has been set on Rydberg atoms of hydrogen and lithium in relatively weak electromagnetic fields. Such atoms have been studied extensively during many years, both experimentally and theoretically, They are relatively easy to handle in the laboratory. Their willingness to react to conventional field sources and their long lifetimes, are two reasons for this. Much new insight into fundamental quantum mechanics has been extracted from such studies. By exciting a non-hydrogenic ground state atom or molecule into a highly excited state, many properties of atomic hydrogen are adopted. In many cases the dynamics of such systems can be accurately described by the hydrogenic theory, or alternatively by some slightly modified version like quantum defect theory. In such theories the Rydberg electron(s) of the non-hydrogenic Rydberg system is treated like it is confined in a modified Coulomb potential, which arises from the non-hydrogenic core. defined by the non-excited electrons and the nucleus. The more heavily bound core electrons are less influenced from external perturbations than the excited electrons, giving rise to the so-called frozen-core approximation. where the total effect of the core electrons is put into a modified Coulomb potential. A major part of this thesis has been allocated to the study of core effects in highly excited states of lithium. In collaboration with time experimental group of Erik Horsdal-Pedersen at Aarhus University, we have considered several hydrogenic and non-hydrogenic aspects of such states, when exposed to weak slowly varying electromagnetic fields. The dynamics was restricted to one principal shell (intrashell). Two general features were observed, either the hydrogenic theory applied or alternatively, in case of massive deviation, the dynamics was accurately described by quantum defect theory, clearly demonstrating the usefulness of such

On the dynamics of excited atoms in time dependent electromagnetic fields

International Nuclear Information System (INIS)

Foerre, Morten

2004-06-01

This thesis is composed of seven scientific publications written in the period 2001-2004. The focus has been set on Rydberg atoms of hydrogen and lithium in relatively weak electromagnetic fields. Such atoms have been studied extensively during many years, both experimentally and theoretically, They are relatively easy to handle in the laboratory. Their willingness to react to conventional field sources and their long lifetimes, are two reasons for this. Much new insight into fundamental quantum mechanics has been extracted from such studies. By exciting a non-hydrogenic ground state atom or molecule into a highly excited state, many properties of atomic hydrogen are adopted. In many cases the dynamics of such systems can be accurately described by the hydrogenic theory, or alternatively by some slightly modified version like quantum defect theory. In such theories the Rydberg electron(s) of the non-hydrogenic Rydberg system is treated like it is confined in a modified Coulomb potential, which arises from the non-hydrogenic core. defined by the non-excited electrons and the nucleus. The more heavily bound core electrons are less influenced from external perturbations than the excited electrons, giving rise to the so-called frozen-core approximation. where the total effect of the core electrons is put into a modified Coulomb potential. A major part of this thesis has been allocated to the study of core effects in highly excited states of lithium. In collaboration with time experimental group of Erik Horsdal-Pedersen at Aarhus University, we have considered several hydrogenic and non-hydrogenic aspects of such states, when exposed to weak slowly varying electromagnetic fields. The dynamics was restricted to one principal shell (intrashell). Two general features were observed, either the hydrogenic theory applied or alternatively, in case of massive deviation, the dynamics was accurately described by quantum defect theory, clearly demonstrating the usefulness of such

Nonlinear spectroscopy of the Rydberg atoms

International Nuclear Information System (INIS)

Delone, N.B.; Krajnov, V.P.; Shepelyanskij, D.L.

1984-01-01

The results of investigation into perturbation of Rydberg states (RS) of atoms in an outer alternating field (OAF) are discussed. Both highly excited states of hydrogen atom at the energy Esub(n)=-1/2n -2 (n>>1 - basic quantum number) and excited states of compound atoms with energy Esub(nl)=-1/2(n*) -2 where n*=n-delta sub(e)-effective basic quantum number, delta sub(e)-quantum defect, are implied by RS. Perturbation of atomic state in the OAF is determined not only by field strength E, but by its frequency ω as well. During OAF inclusion the initial state Esub(lambda) transits to quasienergetic at the energy Esub(lambda)(E)+-kω, where K=0, +-1, +-2, .... Solutions of the problem of quasienergetic level population is obtained only for some simple particular cases. A simple case, when a real multilevel atom is replaced by a model system comprising one bound electron state with the basic quantum number n-model of the insulated level (MIL) is considered. Conditions of MIL applicability are discussed. Estimation of critical OAF strength at which MIL approximation becomes faulty are discussed. It is stated that any consideration of RS perturbation in OAF claiming to exceeding MIL frames should comprise consideration of ionization processes. If one keeps to the frames of OAF; the strength of which is lower than the determined critical values then MIL is true and use of this model permits to correctly describe the main features of RS perturbation in an alternating field

Molecular dynamics simulation of effect of hydrogen atoms on crack propagation behavior of α-Fe

Energy Technology Data Exchange (ETDEWEB)

Song, H.Y., E-mail: gsfshy@sohu.com; Zhang, L.; Xiao, M.X.

2016-12-16

The effect of the hydrogen concentration and hydrogen distribution on the mechanical properties of α-Fe with a pre-existing unilateral crack under tensile loading is investigated by molecular dynamics simulation. The results reveal that the models present good ductility when the front region of crack tip has high local hydrogen concentration. The peak stress of α-Fe decreases with increasing hydrogen concentration. The studies also indicate that for the samples with hydrogen atoms, the crack propagation behavior is independent of the model size and boundaries. In addition, the crack propagation behavior is significantly influenced by the distribution of hydrogen atoms. - Highlights: • The distribution of hydrogen plays a critical role in the crack propagation. • The peak stress decrease with the hydrogen concentration increasing. • The crack deformation behavior is disclosed and analyzed.

Ground state energy of an hydrogen atom confined in carbon nano-structures: a diffusion quantum Monte Carlo study

International Nuclear Information System (INIS)

Molayem, M.; Tayebi-Rad, Gh.; Esmaeli, L.; Namiranian, A.; Fouladvand, M. E.; Neek-Amal, M.

2006-01-01

Using the diffusion quantum monte Carlo method, the ground state energy of an Hydrogen atom confined in a carbon nano tube and a C60 molecule is calculated. For Hydrogen atom confined in small diameter tubes, the ground state energy shows significant deviation from a free Hydrogen atom, while with increasing the diameter this deviation tends to zero.

The Stability of Hydrogen-Rich Atmospheres of Earth-Like Planets

Science.gov (United States)

Zahnle, Kevin

2016-01-01

Understanding hydrogen escape is essential to understanding the limits to habitability, both for liquid water where the Sun is bright, but also to assess the true potential of H2 as a greenhouse gas where the Sun is faint. Hydrogen-rich primary atmospheres of Earth-like planets can result either from gravitational capture of solar nebular gases (with helium), or from impact shock processing of a wide variety of volatile-rich planetesimals (typically accompanied by H2O, CO2, and under the right circumstances, CH4). Most studies of hydrogen escape from planets focus on determining how fast the hydrogen escapes. In general this requires solving hydro- dynamic equations that take into account the acceleration of hydrogen through a critical transonic point and an energy budget that should include radiative heating and cooling, thermal conduction, the work done in lifting the hydrogen against gravity, and the residual heat carried by the hydrogen as it leaves. But for planets from which hydrogen escape is modest or insignificant, the atmosphere can be approximated as hydrostatic, which is much simpler, and for which a relatively full-featured treatment of radiative cooling by embedded molecules, atoms, and ions such as CO2 and H3+ is straightforward. Previous work has overlooked the fact that the H2 molecule is extremely efficient at exciting non-LTE CO2 15 micron emission, and thus that radiative cooling can be markedly more efficient when H2 is abundant. We map out the region of phase space in which terrestrial planets keep hydrogen-rich atmospheres, which is what we actually want to know for habitability. We will use this framework to reassess Tian et al's hypothesis that H2-rich atmospheres may have been rather long-lived on Earth itself. Finally, we will address the empirical observation that rocky planets with thin or negligible atmospheres are rarely or never bigger than 1.6 Earth radii.

On the connection between the hydrogen atom and the harmonic oscillator: the zero-energy case

International Nuclear Information System (INIS)

Kibler, M.; Negali, T.

1983-09-01

The connection between the three-dimensional hydrogen atom and a four-dimensional harmonic oscillator obtained in previous works, from an hybridization of the infinitesimal Pauli approach to the hydrogen system with the Schwinger approach to spherical and hyperbolical angular momenta, is worked out in the case of the zero-energy point of the hydrogen atom. This leads to the equivalence of the three-dimensional hydrogen problem with a four-dimensional free-particle problem involving a constraint condition. For completeness, the latter results is also derived by using the Kustaanheimo-Stiefel transformation introduced in celestial mechanics. Finally, it is shown how the Lie algebra of SO(4,2) quite naturally arises for the whole spectrum (discrete + continuum + zero-energy point) of the three-dimensional hydrogen atom from the introduction of the constraint condition into the Lie algebra of Sp(8,R) associated to the four-dimensional harmonic oscillator

Positron impact ionization of atomic hydrogen at low energies

Indian Academy of Sciences (India)

The study of low energy ionization of atomic hydrogen has undergone a rapid ... Three distinct theories for describing low energy ionization can now .... clear evidence that the backward peak for ΘЅѕ = 180° is due to positron-nucleus scat-.

Light exotic atoms in liquid and gaseous hydrogen and deuterium. Atom anti pp, theory and experiment

International Nuclear Information System (INIS)

Markushin, V.E.

1980-01-01

Considered are the de-eXcitation, absorption and Stark mixing processes in light exotic atoms formed in liquid and gaseous hydrogen (deuteriUm) and presented is the new method of the cascade calculations. Atom anti pp is studied in detail, calculated are: the populations of atomic levels, the absorption probabilities, and the X-rays yields. The present-day experimental data are discussed and it is concluded that all of them (but one result), can be easily reconciled with each other and with the theory

Use of the SO(4,2) dynamical group for the study of the ground state of a hydrogen atom in a homogeneous magnetic field

International Nuclear Information System (INIS)

Cizek, J.; Vrscay, E.R.

1977-01-01

A perturbation procedure based on the use of the SO(4,2) dynamical group, which includes as its most important feature the nonunitary tilting transformation, is applied to the hydrogen atom system in a strong magnetic field and the terms ΔΣ/sub n/ were calculated to 40th order. The difficulty in using this approach is that the series has zero radius of convergence. Nevertheless, the Pade approximant technique may be used for the summation of the series. Surprising accuracy is found for the Pade estimate of the ionization energy. 5 references

Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist

NARCIS (Netherlands)

Poater, J; Sola, M.; Bickelhaupt, F.M.

2006-01-01

Based on an Atoms-in-Molecules (AIM) analysis, Matta et al. (Chem. Eur. J.2003, 9, 1940) recently claimed evidence for the existence of hydrogen–hydrogen bonding between ortho-hydrogen atoms, pointing towards each other from adjacent phenyl groups in planar biphenyl. This AIM result is opposed to

Molecular beam studies of oxide reduction by atomic hydrogen

International Nuclear Information System (INIS)

Olander, D.R.

1978-01-01

The graphite and oxide internals of a CTR are susceptible to chemical corrosion as well as to physical degradation by high-energy particles. Reactions of thermal atomic hydrogen with oxides are being studied. The hydrogen used is at thermal energy (0.22 eV). Typical data are reported for the H/UO 2 system. The reaction probability is plotted as a function of solid temperature at fixed beam intensity and moculation frequency. The reaction probability increases from low temperature to a high-temperature plateau at about 1300 0 C. Here the reaction rate is limited solely by the sticking probability of H on the surface; about one in seven of the incident atoms is chemisorbed by the surface and ultimately returns to the gas phase as water vapor. A reaction model comprising sticking, recombination to H 2 , solution and diffusion of H in the bulk of the UO 2 , surface reaction of adsorbed H with lattice oxygen atoms to produce the hydroxyl radical, and production of water is constructed. The rate constants for the elementary steps in the mechanism are tabulated. 2 figures, 2 tables

Continuous coherent Lyman-alpha excitation of atomic hydrogen.

NARCIS (Netherlands)

Eikema, K.S.E.; Waltz, J.; Hänsch, T.

2001-01-01

The first near natural linewidth of the 1S-2P transition in atomic hydrogen was reported with a high degree of accuracy. A high yield of continuous Lyman-α radiation based on four wave mixing in mercury was employed. It was shown that laser cooloing and detection with Lyman-α radiation has excellent

The dynamics of highly excited hydrogen atoms in microwave fields: Application of the Floquet picture of quantum mechanics

International Nuclear Information System (INIS)

Holthaus, M.

1990-04-01

The study of short-time phenomena in strongly interacting quantum systems requires on the theoretical side the development of methods, which are both non-perturbative and 'dynamical', which thus regard the change of outer parameters in the slope of time. For systems with a periodic, fast and a further slow, parametric time dependence both requirements are fulfilled by the Floquet picture of quantum mechanics. This picture, which starts from the adiabatic evolution on effective quasi-energy surfaces, is presented in the first chapter of the present thesis, whereby especially the term of the adiabaticity for periodically time dependent systems is explained. In the second chapter the Floquet theory is applied to the description of microwave experiments with highly excited hydrogen atoms. Here it is shown that the Floquet picture permits to understand a manifold of experimental observations under a unified point of view. Really these microwave experiments offer an ideal possibility for the test of the Floquet picture: On the one hand there is the strength of the outer field of the same order of magnitude as that of the nuclear field, by which the highly excited electron is bound, on the other hand in the experiment an extremely precise control of amplitude, frequency, and pulse shape is possible, so that the conditions for a detailed comparison of theory and experiment are given. The insights, which model calculations yield in the dynamics of highly excited hydrogen atoms in strong alternating fields, allow a prediction of further effects, for which it is to be looked for in new experiments. In the following third chapter some further aspects of these model calculations are discussed, whereby also common properties of the dynamics of excited atoms in microwave fields and that of atoms under the influence of strong laser pulses are discussed. (orig./HSI) [de

A theoretical perspective of the nature of hydrogen-bond types - the atoms in molecules approach

Science.gov (United States)

Vijaya Pandiyan, B.; Kolandaivel, P.; Deepa, P.

2014-06-01

Hydrogen bonds and their strength were analysed based on their X-H proton-donor bond properties and the parameters of the H-Y distance (Y proton acceptor). Strong, moderate and weak interactions in hydrogen-bond types were verified through the proton affinities of bases (PA), deprotanation enthalpies of acids (DPE) and the chemical shift (σ). The aromaticity and anti-aromaticity were analysed by means of the NICS (0) (nucleus-independent chemical shift), NICS (1) and ΔNICS (0), ΔNICS (1) of hydrogen-bonded molecules. The strength of a hydrogen bond depends on the capacity of hydrogen atom engrossing into the electronegative acceptor atom. The correlation between the above parameters and their relations were discussed through curve fitting. Bader's theory of atoms in molecules has been applied to estimate the occurrence of hydrogen bonds through eight criteria reported by Popelier et al. The lengths and potential energy shifts have been found to have a strong negative linear correlation, whereas the lengths and Laplacian shifts have a strong positive linear correlation. This study illustrates the common factors responsible for strong, moderate and weak interactions in hydrogen-bond types.

A new exact path integral treatment of the hydrogen atom

International Nuclear Information System (INIS)

Pak, N.K.; Sokmen, I.

1983-08-01

Using a recently developed general new-time transformation method, free of operator ordering ambiguities by construction we reconsider the hydrogen atom problem. We solve the problem direcly without any dimension raising trick. (author)

Measurement of atomic-hydrogen spin-exchange parameters at 0.5 K using a cryogenic hydrogen maser

International Nuclear Information System (INIS)

Hayden, M.E.; Huerlimann, M.D.; Hardy, W.N.

1996-01-01

Using a cryogenic hydrogen maser, suitably modified to have electronic control of both the resonance frequency and the quality factor of the external cavity, we have measured a number of spin-exchange parameters for an atomic-hydrogen (H) gas at a temperature of 0.5 K. These results are relevant to the ultimate achievable frequency stability for cryogenic H masers and, when coupled with accurate calculations of the spin-exchange parameters, serve as a sensitive test of the H-H interatomic potentials. We find evidence for a frequency shift not predicted by semiclassical theories of spin exchange. In the context of a fully quantum mechanical hydrogen-atom spin-exchange theory [B. J. Verhaar et al., Phys. Rev. A 35, 3825 (1987) and J. M. V. A. Koelman et al., Phys. Rev. A 38, 3535 (1988)], this frequency shift is attributed to the influence of hyperfine interactions during spin-exchange collisions. Our findings are generally in agreement with these predictions; however, the sign of the hyperfine-induced frequency shift appears to differ from theory. copyright 1996 The American Physical Society

Atomic scale simulations of hydrogen implantation defects in hydrogen implanted silicon - smart Cut technology

International Nuclear Information System (INIS)

Bilteanu, L.

2010-12-01

The topic of this thesis is related to the implantation step of the SmartCut TM technology. This technology uses hydrogen in order to transfer silicon layers on insulating substrates. The transfer is performed through a fracture induced by the formation of bidimensional defects well known in literature as 'platelets'. More exactly, we have studied within this thesis work the defects appearing in the post implant state and the evolution of the implantation damage towards a state dominated by platelets. The study is organised into two parts: in the first part we present the results obtained by atomic scale simulations while in the second part we present an infrared spectroscopy study of the evolution of defects concentrations after annealing at different temperatures. The atomic scale simulations have been performed within the density functional theory and they allowed us to compute the formation energies and the migration and recombination barriers. The defects included in our study are: the atomic and diatomic interstitials, the hydrogenated vacancies and multi-vacancies and the several platelets models. The obtained energies allowed us to build a stability hierarchy for these types of defects. This scheme has been confronted with some infrared analysis on hydrogen implanted silicon samples (37 keV) in a sub-dose regime which does not allow usually the formation of platelets during the implantation step. The analysis of the infrared data allowed the detailed description of the defects concentration based on the behaviour of peaks corresponding to the respective defects during annealing. The comparison between these evolutions and the energy scheme obtained previously allowed the validation of an evolution scenario of defects towards the platelet state. (author)

Zeeman effect: new outlook on old perturbation theory

International Nuclear Information System (INIS)

Turbiner, A.V.

1980-01-01

The problem of hydrogen atom placed in constant external magnetic field is studied. The properties of ordinary perturbation theory (in powers of the field) in the framework of a new approach proposed earlier are investigated. The ground state are considered in detailed while the excited states are discussed only in brief. It is shown that the ''wave function corrections'' with in this approach are simpler than within ordinary one and contain a finite number of harmonics with polynomial coefficients. Some coefficients of these polynomials are found explicitly

Schwinger variational calculation of ionization of hydrogen atoms for ...

Indian Academy of Sciences (India)

Schwinger variational calculation of ionization of hydrogen atoms for large momentum transfers. K CHAKRABARTI. Department of Mathematics, Scottish Church College, 1 & 3 Urquhart Square,. Kolkata 700 006, India. MS received 7 July 2001; revised 10 October 2001. Abstract. Schwinger variational principle is used here ...

Diagrammatic many-body perturbation expansion for atoms and molecules. Pt. 6

International Nuclear Information System (INIS)

Moncrieff, D.; Baker, D.J.; Wilson, S.

1989-01-01

The efficient evaluation of the second-order expression in the many-body perturbation theory expansion for the correlation energy on vector processing and parallel processing computers is discussed. It is argued that the linked diagram theorem not only leads to the well known theoretical advantages of the many-body perturbation theory approach which allows the calculation of correlation energies for large (i.e. extended molecules or species containing heavy atoms) systems but also decouples the many-electron problem allowing efficient implementation on parallel processing machines. Furthermore, the computation associated with each of the resulting subproblems is very well suited to vector processing machines. Timing tests are reported for the CRAY 1 and CDC Cyber 205 vector processors, for a 1 processor implementation on the CRAY X-MP/48 and the ETA-10E, and for a 4 processor implementation on the Cray X-MP/48. (orig.)

Hydrogen atom in the phase-space formulation of quantum mechanics

International Nuclear Information System (INIS)

Gracia-Bondia, J.M.

1984-01-01

Using a coordinate transformation which regularizes the classical Kepler problem, we show that the hydrogen-atom case may be analytically solved via the phase-space formulation of nonrelativistic quantum mechanics. The problem is essentially reduced to that of a four-dimensional oscillator whose treatment in the phase-space formulation is developed. Furthermore, the method allows us to calculate the Green's function for the H atom in a surprisingly simple way

Theoretical studies of the reactions of HCN with atomic hydrogen

International Nuclear Information System (INIS)

Bair, R.A.; Dunning, T.H. Jr.

1985-01-01

A comprehensive theoretical study has been made of the energetics of the important pathways involved in the reaction of hydrogen atoms with hydrogen cyanide. For each reaction ab initio GVB-CI calculations were carried out to determine the structures and vibrational frequencies of the reactants, transition states, and products; then POL-CI calculations were carried out to more accurately estimate the electronic contribution to the energetics of the reactions. The hydrogen abstraction reaction is calculated to be endoergic by 24 kcal/mol [expt. ΔH (0 K) = 16--19 kcal/mol] with a barrier of 31 kcal/mol in the forward direction and 6 kcal/mol in the reverse direction. For the hydrogen addition reactions, addition to the carbon atom is calculated to be exoergic by 19 kcal/mol with a barrier of 11 kcal/mol, while addition to the nitrogen center is essentially thermoneutral with a barrier of 17 kcal/mol. Calculations were also carried out on the isomerization reactions of the addition products. The cis→trans isomerization of HCNH has a barrier of only 10 kcal/mol with the trans isomer being more stable by 5 kcal/mol. The (1,2)-hydrogen migration reaction, converting H 2 CN to trans-HCNH, is endoergic by only 14 kcal/mol, but the calculated barrier for the transfer is 52 kcal/mol. The energy of the migration pathway thus lies above that of the dissociation--recombination pathway

A theoretical study of hydrogen atoms adsorption and diffusion on PuO_2 (110) surface

International Nuclear Information System (INIS)

Yu, H.L.; Tang, T.; Zheng, S.T.; Shi, Y.; Qiu, R.Z.; Luo, W.H.; Meng, D.Q.

2016-01-01

The mechanisms of adsorption and diffusion of hydrogen atoms on the PuO_2 (110) surface are investigated by density functional theory corrected for onsite Coulombic interactions (GGA + U). In order to find out the energetically more favorable adsorption site and optimum diffusion path, adsorption energy of atomic H on various sites and the diffusion energy barrier are derived and compared. Our results show that both chemisorption and physisorption exist for H atoms adsorption configurations on PuO_2 (110) surface. Two processes for H diffusion are investigated using the climbing nudged-elastic-band (cNEB) approach. We have identified two diffusion mechanisms, leading to migration of atomic H on the surface and diffusion from surface to subsurface. The energy barriers indicate that it is energetically more favorable for H atom to be on the surface. Hydrogen permeation through purity PuO_2 surface is mainly inhibited from hydrogen atom diffusion from surface to subsurface. - Highlights: • H atoms adsorption on PuO_2 (110) surface are investigated by GGA + U. • Both chemisorption and physisorption exist for H atoms adsorption configurations. • H atoms migration into PuO_2 (100) surface are inhibited with the barrier of 2.15 eV. • H atoms diffusion on PuO_2 (110) surface are difficult at room temperature.

Chaotic scattering from hydrogen atoms in a circularly polarized laser field

International Nuclear Information System (INIS)

Okon, Elias; Parker, William; Chism, Will; Reichl, Linda E.

2002-01-01

We investigate the classical dynamics of a hydrogen atom in a circularly polarized laser beam with finite radius. The spatial cutoff for the laser field allows us to use scattering processes to examine the laser-atom dynamics. We find that for certain field parameters, the delay times, the angular momentum, and the distance of closest approach of the scattered electron exhibit fractal behavior. This fractal behavior is a signature of chaos in the dynamics of the atom-field system

Electron-capture cross sections for low-energy highly charged neon and argon ions from molecular and atomic hydrogen

International Nuclear Information System (INIS)

Can, C.; Gray, T.J.; Varghese, S.L.; Hall, J.M.; Tunnell, L.N.

1985-01-01

Electron-capture cross sections for low-velocity (10 6 --10 7 cm/s) highly charged Ne/sup q/+ (2< or =q< or =7) and Ar/sup q/+ (2< or =q< or =10)= projectiles incident on molecular- and atomic-hydrogen targets have been measured. A recoil-ion source that used the collisions of fast heavy ions (1 MeV/amu) with target gas atoms was utilized to produce slow highly charged ions. Atomic hydrogen was produced by dissociating hydrogen molecules in a high-temperature oven. Measurements and analysis of the data for molecular- and atomic-hydrogen targets are discussed in detail. The measured absolute cross sections are compared with published data and predictions of theoretical models

Molecular dynamics simulation of chemical sputtering of hydrogen atom on layer structured graphite

International Nuclear Information System (INIS)

Ito, A.; Wang, Y.; Irle, S.; Morokuma, K.; Nakamura, H.

2008-10-01

Chemical sputtering of hydrogen atom on graphite was simulated using molecular dynamics. Especially, the layer structure of the graphite was maintained by interlayer intermolecular interaction. Three kinds of graphite surfaces, flat (0 0 0 1) surface, armchair (1 1 2-bar 0) surface and zigzag (1 0 1-bar 0) surface, are dealt with as targets of hydrogen atom bombardment. In the case of the flat surface, graphene layers were peeled off one by one and yielded molecules had chain structures. On the other hand, C 2 H 2 and H 2 are dominant yielded molecules on the armchair and zigzag surfaces, respectively. In addition, the interaction of a single hydrogen isotope on a single graphene is investigated. Adsorption, reflection and penetration rates are obtained as functions of incident energy and explain hydrogen retention on layered graphite. (author)

Surface Preparation of InAs (110 Using Atomic Hydrogen

Directory of Open Access Journals (Sweden)

T.D. Veal

2002-06-01

Full Text Available Atomic hydrogen cleaning has been used to produce structurally and electronically damage-free InAs(110 surfaces.  X-ray photoelectron spectroscopy (XPS was used to obtain chemical composition and chemical state information about the surface, before and after the removal of the atmospheric contamination. Low energy electron diffraction (LEED and high-resolution electron-energy-loss spectroscopy (HREELS were also used, respectively, to determine the surface reconstruction and degree of surface ordering, and to probe the adsorbed contaminant vibrational modes and the collective excitations of the clean surface. Clean, ordered and stoichiometric  InAs(110-(1×1 surfaces were obtained by exposure to thermally generated atomic hydrogen at a substrate temperature as low as 400ºC.  Semi-classical dielectric theory analysis of HREEL spectra of the phonon and plasmon excitations of the clean surface indicate that no electronic damage or dopant passivation were induced by the surface preparation method.

Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods

Science.gov (United States)

Alexander, Steven; Coldwell, R. L.

2015-03-01

The nonrelativistic transition matrix elements for hydrogen atoms can be computed exactly and these expressions are given in a number of classic textbooks. The relativistic counterparts of these equations can also be computed exactly but these expressions have been described in only a few places in the literature. In part, this is because the relativistic equations lack the elegant simplicity of the nonrelativistic equations. In this poster I will describe how variational Monte Carlo methods can be used to calculate the energy and properties of relativistic hydrogen atoms and how the wavefunctions for these systems can be used to calculate transition matrix elements.

Atomic displacements due to interstitial hydrogen in Cu and Pd

Indian Academy of Sciences (India)

2015-11-27

Nov 27, 2015 ... Atomic displacements; density functional theory; Kanzaki method. ... pseudopotentials for H, Cu and Pd are generated self-consistently. ... Both Cu and Pd lattices show lattice expansion due to the presence of hydrogen and ...

Concentration of atomic hydrogen in a dielectric barrier discharge measured by two-photon absorption fluorescence

Science.gov (United States)

Dvořák, P.; Talába, M.; Obrusník, A.; Kratzer, J.; Dědina, J.

2017-08-01

Two-photon absorption laser-induced fluorescence (TALIF) was utilized for measuring the concentration of atomic hydrogen in a volume dielectric barrier discharge (DBD) ignited in mixtures of Ar, H2 and O2 at atmospheric pressure. The method was calibrated by TALIF of krypton diluted in argon at atmospheric pressure, proving that three-body collisions had a negligible effect on quenching of excited krypton atoms. The diagnostic study was complemented with a 3D numerical model of the gas flow and a zero-dimensional model of the chemistry in order to better understand the reaction kinetics and identify the key pathways leading to the production and destruction of atomic hydrogen. It was determined that the density of atomic hydrogen in Ar-H2 mixtures was in the order of 1021 m-3 and decreased when oxygen was added into the gas mixture. Spatially resolved measurements and simulations revealed a sharply bordered region with low atomic hydrogen concentration when oxygen was added to the gas mixture. At substoichiometric oxygen/hydrogen ratios, this H-poor region is confined to an area close to the gas inlet and it is shown that the size of this region is not only influenced by the chemistry but also by the gas flow patterns. Experimentally, it was observed that a decrease in H2 concentration in the feeding Ar-H2 mixture led to an increase in H production in the DBD.

Atomic hydrogen in the Orion star-forming region

International Nuclear Information System (INIS)

Chromey, F.R.; Elmegreen, B.G.; Elmegreen, D.M.

1989-01-01

A large-scale survey of atomic hydrogen in Orion reveals low-density material with a total mass comparable to that in dense molecular clouds. The atomic gas is sufficiently dense that it can shield the molecular material from photodissociative radiation and provide a pressure link to the low-density intercloud medium. An excess of H I emission comes from photodissociation fronts near the bright stars and from a giant shell in the Orion Belt region. This shell may have caused the apparent bifurcation between the Orion A and B clouds, and the associated pressures may have induced peculiar motions and star formation in NGC 2023 and 2024. 49 refs

On the chemistry of the lightest exotic atoms

International Nuclear Information System (INIS)

Horvath, D.

1980-01-01

The chemical aspects of formation of three hydrogen-like exotic atoms, positronium, muonium and pionic hydrogen are discussed. For positronium two formation mechanisms, the Ore model with hot-atom reactions, and the spur reaction model are set against experimental observations in solutions. The use of pionic hydrogen atoms in obtaining information on the bond properties of hydrogen is illustrated by recent experiments performed in JINR. The use of negative pions in chemistry is demonstrated by electronic structure investigations performed in Dubna. The probability W that in a chemical system containing bound hydrogen atoms a stopped negative pion is captured by a proton reflects the bond properties of hydrogen. Recent results haVe shown that the hydrogen bond formation in liquid water and the coordination of water molecules in aquacomplexes lead to significant decreases in probability W for water. A comparison of the chemical uses of the exotic atoms shows that positronium and muonium inform us on intermolecular level probing a small environment of a few molecules while the pionic hydrogen atoms deliver information on the chemical bond of hydrogen, i.e. on intramolecular level

When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

Science.gov (United States)

Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

2018-05-25

Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Coupled cluster and density functional theory calculations of atomic hydrogen chemisorption on pyrene and coronene as model systems for graphene hydrogenation.

Science.gov (United States)

Wang, Ying; Qian, Hu-Jun; Morokuma, Keiji; Irle, Stephan

2012-07-05

Ab initio coupled cluster and density functional theory studies of atomic hydrogen addition to the central region of pyrene and coronene as molecular models for graphene hydrogenation were performed. Fully relaxed potential energy curves (PECs) were computed at the spin-unrestricted B3LYP/cc-pVDZ level of theory for the atomic hydrogen attack of a center carbon atom (site A), the midpoint of a neighboring carbon bond (site B), and the center of a central hexagon (site C). Using the B3LYP/cc-pVDZ PEC geometries, we evaluated energies at the PBE density functional, as well as ab initio restricted open-shell ROMP2, ROCCSD, and ROCCSD(T) levels of theory, employing cc-pVDZ and cc-pVTZ basis sets, and performed a G2MS extrapolation to the ROCCSD(T)/cc-pVTZ level of theory. In agreement with earlier studies, we find that only site A attack leads to chemisorption. The G2MS entrance channel barrier heights, binding energies, and PEC profiles are found to agree well with a recent ab initio multireference wave function theory study (Bonfanti et al. J. Chem. Phys.2011, 135, 164701), indicating that single-reference open-shell methods including B3LYP are sufficient for the theoretical treatment of the interaction of graphene with a single hydrogen atom.

Magnetic resonance studies of atomic hydrogen gas at low temperatures

International Nuclear Information System (INIS)

Hardy, W.N.; Morrow, M.; Jochemsen, R.; Statt, B.W.; Kubik, P.R.; Marsolais, R.M.; Berlinsky, A.J.; Landesman, A.

1980-01-01

Using a pulsed low temperature discharge in a closed cell containing H 2 and 4 He, we have been able to store a low density (approximately 10 12 atoms/cc) gas of atomic hydrogen for periods of order one hour in zero magnetic field and T=1 K. Pulsed magnetic resonance at the 1420 MHz hyperfine transition has been used to study a number of the properties of the gas, including the recombination rate H + H + 4 He→H 2 + 4 He, the hydrogen spin-exchange relaxation rates, the diffusion coefficient of H in 4 He gas and the pressure shift of the hyperfine frequency due to the 4 He buffer gas. Here we discuss the application of hyperfine frequency shifts as a probe of the H-He potential, and as a means for determining the binding energy of H on liquid helium

Tungsten deposition by hydrogen-atom reaction with tungsten hexafluoride

International Nuclear Information System (INIS)

Lee, W.W.

1991-01-01

Using gaseous hydrogen atoms with WF 6 , tungsten atoms can be produced in a gas-phase reaction. The atoms then deposit in a near-room temperature process, which results in the formation of tungsten films. The W atoms (10 10 -10 11 /cm 3 ) were measured in situ by atomic absorption spectroscopy during the CVD process. Deposited W films were characterized by Auger electron spectroscopy, Rutherford backscattering, and X-ray diffraction. The surface morphology of the deposited films and filled holes was studied using scanning electron microscopy. The deposited films were highly adherent to different substrates, such as Si, SiO 2 , Ti/Si, TiN/Si and Teflon. The reaction mechanism and kinetics were studied. The experimental results indicated that this method has three advantages compared to conventional CVD or PECVD: (1) film growth occurs at low temperatures; (2) deposition takes place in a plasma-free environment; and (3) a low level of impurities results in high-quality adherent films

Some comments on the hydrogen atom in a spherical enclosure

International Nuclear Information System (INIS)

Aguilera-Navarro, V.C.; Koo, E.L.; Zimerman, A.H.

1980-01-01

Some properties of the ground state energy solutions for the hydrogen atom in a spherical enclosure are discussed. The application of the many-point Pade approximants to this kind of systems inside a box is consider also. (Author) [pt

Formation of ground and excited hydrogen atoms in proton ...

Indian Academy of Sciences (India)

2016-10-17

Oct 17, 2016 ... DOI 10.1007/s12043-016-1282-y. Formation of ground and excited hydrogen atoms in proton–potassium inelastic scattering. S A ELKILANY1,2. 1Department of Mathematics, Faculty of Science, University of Dammam, Dammam, Kingdom of Saudi Arabia. 2Department of Mathematics, Faculty of Science, ...

Two centre problems in relativistic atomic physics

Energy Technology Data Exchange (ETDEWEB)

McConnell, Sean R.

2013-01-09

The work contained within this thesis is concerned with the explanation and usage of a set of theoretical procedures for the study of static and dynamic two-centre problems in the relativistic framework of Dirac's equation. Two distinctly different theories for handling time-dependent atomic interactions are reviewed, namely semi-classical perturbation theory and a non-perturbative numerical technique based on the coupled channel equation to directly solve the time-dependent, two-centre Dirac equation. The non-perturbative numerical technique has been developed independently and the calculations performed with it are entirely new. Calculations for ionisation cross sections and state occupancies are conducted for both these methods. The non-perturbative technique for relativistic two-centre problems is extensively explained and, given its novelty, a probity test is conducted between this technique and that of the well established perturbation theory in calculating K-and L-shell ionisation cross sections for the alpha decay of initially Hydrogen-like Polonium. To that end, an in depth outline of the perturbative technique is also made for both collision and decay processes. As well as the comparison test mentioned, this technique is also applied to the analysis of cross sections of the promotion of a single electron into the positive continuum from either a K- or L-shell due to the alpha decay of heavy, neutral nuclei (Gadolinium, Polonium and Thorium). Dirac-Coulomb eigenfunctions centred on the parent nucleus of the decay pair are taken as the basis for use in the cross section calculations utilising first order, semi-classical pertubation theory. The excellent congruence between both techniques justifies the usage of the non-perturbative algorithms in the subsequent analysis of collisions between very heavy, highly charged ions. As such, a set of calculations are performed examining the bound and continuum state occupancy of the electronic levels during a

The effect of atomic hydrogen adsorption on single-walled carbon nano tubes properties

International Nuclear Information System (INIS)

Jalili, S.; Majidi, R.

2007-01-01

We investigated the adsorption of hydrogen atoms on metallic single-walled carbon nano tubes using ab initio molecular dynamics method. It was found that the geometric structures and the electronic properties of hydrogenated SWNTs can be strongly changed by varying hydrogen coverage. The circular cross sections of the CNTs were changed with different hydrogen coverage. When hydrogen is chemisorbed on the surface of the carbon nano tube, the energy gap will be appeared. This is due to the degree of the Sp 3 hybridization, and the hydrogen coverage can control the band gap of the carbon nano tube

Polarization bremsstrahlung of a hydrogen-like ion in a single crystal

International Nuclear Information System (INIS)

Astapenko, V. A.

2009-01-01

Polarization bremsstrahlung (PB) that arises when a fast hydrogen-like ion is scattered in a single crystal is investigated theoretically. Four types of the process are analyzed that are caused by virtual excitation of electrons of the target and of the incident particle (IP), as well as by a coherent and incoherent interaction between the IP and the single crystal. The spectral, angular, and velocity (of the IP) characteristics of PB are calculated with regard to the spectral function of a photodetector. Optimal observation conditions and regions in which different types of PB are dominant are determined, and the dependence of these regions on the charge of the IP nucleus and of the target atoms is revealed

Parity nonconservation in the hydrogen atom

International Nuclear Information System (INIS)

Chupp, T.E.

1983-01-01

The development of experiments to detect parity nonconserving (PNC) mixing of the 2s/sub a/2/ and 2p/sub 1/2/ levels of the hydrogen atom in a 570 Gauss magnetic field is described. The technique involves observation of an asymmetry in the rate of microwave induced transitions at 1608 MHz due to the interference of two amplitudes, one produced by applied microwave and static electric fields and the other produced by an applied microwave field and the 2s/sub 1/2/-2p/sub 1/2/ mixing inducd by a PNC Hamiltonian

Forward elastic scattering of electrons by hydrogen atoms

Energy Technology Data Exchange (ETDEWEB)

Garibotti, C.R. (Instituto de Fisica Teorica, R. Pamplona 145, Sao Paulo (Brazil)); Massaro, P.A. (Bari Univ. (Italy). Ist. di Fisica)

1978-01-11

The available theoretical and experimental values for the elastic, inelastic and ionization cross-sections of electrons by hydrogen atoms are used to obtain the total cross-section. The optical theorem and a dispersion relation are used to calculate the forward e-H scattering amplitude for medium and high energies. Using this quantity the reliability of the Born expansion for elastic e-H scattering is tested.

Phase transition of DNA-linked gold nanoparticles: Creation of a high concentration of atomic hydrogen in impurity-helium solids

International Nuclear Information System (INIS)

Kiselev, S.I.; Khmelenko, V.V.; Bernard, E.P.; Lee, C.Y.; Lee, D.M.

2003-01-01

The exchange tunneling reactions D+H 2 →HD+H and D+HD→D 2 +H were used to generate high concentrations of atomic hydrogen in impurity-helium solids. The dependence of atom concentration on the content of hydrogen in the injected gas mixture gave a maximum concentration of 7.5x10 17 cm -3 hydrogen atoms for an initial gas ratio H 2 :D 2 :He=1:4:100

Incorporating nitrogen atoms into cobalt nanosheets as a strategy to boost catalytic activity toward CO2 hydrogenation

Science.gov (United States)

Wang, Liangbing; Zhang, Wenbo; Zheng, Xusheng; Chen, Yizhen; Wu, Wenlong; Qiu, Jianxiang; Zhao, Xiangchen; Zhao, Xiao; Dai, Yizhou; Zeng, Jie

2017-11-01

Hydrogenation of CO2 into fuels and useful chemicals could help to reduce reliance on fossil fuels. Although great progress has been made over the past decades to improve the activity of catalysts for CO2 hydrogenation, more efficient catalysts, especially those based on non-noble metals, are desired. Here we incorporate N atoms into Co nanosheets to boost the catalytic activity toward CO2 hydrogenation. For the hydrogenation of CO2, Co4N nanosheets exhibited a turnover frequency of 25.6 h-1 in a slurry reactor under 32 bar pressure at 150 °C, which was 64 times that of Co nanosheets. The activation energy for Co4N nanosheets was 43.3 kJ mol-1, less than half of that for Co nanosheets. Mechanistic studies revealed that Co4N nanosheets were reconstructed into Co4NHx, wherein the amido-hydrogen atoms directly interacted with the CO2 to form HCOO* intermediates. In addition, the adsorbed H2O* activated amido-hydrogen atoms via the interaction of hydrogen bonds.

Thermally stable single atom Pt/m-Al2O3 for selective hydrogenation and CO oxidation

KAUST Repository

Zhang, Zailei

2017-07-27

Single-atom metal catalysts offer a promising way to utilize precious noble metal elements more effectively, provided that they are catalytically active and sufficiently stable. Herein, we report a synthetic strategy for Pt single-atom catalysts with outstanding stability in several reactions under demanding conditions. The Pt atoms are firmly anchored in the internal surface of mesoporous Al2O3, likely stabilized by coordinatively unsaturated pentahedral Al3+ centres. The catalyst keeps its structural integrity and excellent performance for the selective hydrogenation of 1,3-butadiene after exposure to a reductive atmosphere at 200 °C for 24 h. Compared to commercial Pt nanoparticle catalyst on Al2O3 and control samples, this system exhibits significantly enhanced stability and performance for n-hexane hydro-reforming at 550 °C for 48 h, although agglomeration of Pt single-atoms into clusters is observed after reaction. In CO oxidation, the Pt single-atom identity was fully maintained after 60 cycles between 100 and 400 °C over a one-month period.

First-principles calculations of the interaction between hydrogen and 3d alloying atom in nickel

Energy Technology Data Exchange (ETDEWEB)

Liu, Wenguan, E-mail: liuwenguan@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Qian, Yuan; Zhang, Dongxun [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Liu, Wei, E-mail: liuwei@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Han, Han [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China)

2015-10-15

Knowledge of the behavior of hydrogen (H) in Ni-based alloy is essential for the prediction of Tritium behavior in Molten Salt Reactor. First-principles calculations were performed to investigate the interaction between H and 3d transition metal (TM) alloying atom in Ni-based alloy. H prefers the octahedral interstitial site to the tetrahedral interstitial site energetically. Most of the 3d TM elements (except Zn) attract H. The attraction to H in the Ni–TM–H system can be mainly attributed to the differences in electronegativity. With the large electronegativity, H and Ni gain electrons from the other TM elements, resulting in the enhanced Ni–H bonds which are the source of the attraction to H in the Ni–TM–H system. The obviously covalent-like Cr–H and Co–H bindings are also beneficial to the attraction to H. On the other hand, the repulsion to H in the Ni–Zn–H system is due to the stable electronic configuration of Zn. We mainly utilize the results calculated in 32-atom supercell which corresponds to the case of a relatively high concentration of hydrogen. Our results are in good agreement with the experimental ones.

Application of laser fluorescence spectroscopy by two-photon excitation into atomic hydrogen density measurement in reactive plasmas

International Nuclear Information System (INIS)

Kajiwara, Toshinori; Takeda, Kazuyuki; Kim, Hee Je; Park, Won Zoo; Muraoka, Katsunori; Akazaki, Masanori; Okada, Tatsuo; Maeda, Mitsuo.

1990-01-01

Density profiles of hydrogen atoms in reactive plasmas of hydrogen and methane gases were measured, for the first time, using the laser fluorescence spectroscopy by two-photon excitation of Lyman beta transition and observation at the Balmer alpha radiation. Absolute density determinations showed atomic densities of around 3 x 10 17 m -3 , or the degree of dissociation to be 10 -4 . Densities along the axis perpendicular to the RF electrode showed peaked profiles, which were due to the balance of atomic hydrogen production by electron impact on molecules against diffusion loss to the walls. (author)

Electron capture in collisions of S4+ with atomic hydrogen

Science.gov (United States)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-06-01

Charge transfer processes due to collisions of ground state S4+(3s2 1S) ions with atomic hydrogen are investigated for energies between 1 meV u-1 and 10 MeV u-1 using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S3+ excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 106 K are also presented.

The antiproton-hydrogen atom interaction

International Nuclear Information System (INIS)

Morgan, D.L. Jr.

1994-07-01

The bar p-H interaction is the most important aspect of the bar ppe system. While this interaction is worthy of study in itself, it is also relevant to a number of bar p applications, both practical and in the area of fundamental physics. Theoretical study of p-H commenced more than 20 years ago and has continued with growing interest through the present. Experimental study has been limited, but recently measurements have been made of bar p's slowing in hydrogen at KeV energies, which shed light on their interaction with hydrogen atoms. Theoretical work involving various kinds and levels of approximation has now been carried out for a variety of bar p energy domains. Particular attention has been given to bar p capture at low and sub eV energies, in which a bound bar p-p state is formed, and to H excitation and ionization at KeV energies. Such calculations now extend into the sub Kelvin domain of energies. It is beginning to be possible to make comparisons between experiment and calculation and to compare calculations to one another. These comparisons suggest that theoretical work needs to be carried out in some intermediate energy domains and that some past calculations have to be repeated with more accurate methods

STEREO Observations of Energetic Neutral Hydrogen Atoms during the 5 December 2006 Solar Flare

Science.gov (United States)

Mewaldt, R. A.; Leske, R. A.; Stone, E. C.; Barghouty, A. F.; Labrador, A. W.; Cohen, C. M. S.; Cummings, A. C.; Davis, A. J.; vonRosenvinge, T. T.; Wiedenbeck, M. E.

2009-01-01

We report the discovery of energetic neutral hydrogen atoms emitted during the X9 solar event of December 5, 2006. Beginning 1 hour following the onset of this E79 flare, the Low Energy Telescopes (LETs) on both the STEREO A and B spacecraft observed a sudden burst of 1.6 to 15 MeV protons beginning hours before the onset of the main solar energetic particle (SEP) event at Earth. More than 70% of these particles arrived from a longitude within 10 of the Sun, consistent with the measurement resolution. The derived emission profile at the Sun had onset and peak times remarkably similar to the GOES soft X-ray profile and continued for more than an hour. The observed arrival directions and energy spectrum argue strongly that the particle events less than 5 MeV were due to energetic neutral hydrogen atoms (ENAs). To our knowledge, this is the first reported observation of ENA emission from a solar flare/coronal mass ejection. Possible origins for the production of ENAs in a large solar event are considered. We conclude that the observed ENAs were most likely produced in the high corona and that charge-transfer reactions between accelerated protons and partially-stripped coronal ions are an important source of ENAs in solar events.

A laser driven source of spin polarized atomic hydrogen and deuterium

International Nuclear Information System (INIS)

Poelker, M.; Coulter, K.P.; Holt, R.J.; Jones, C.E.; Kowalczyk, R.S.; Young, L.; Toporkov, D.

1993-01-01

Recent results from a laser-driven source of polarized hydrogen (H) and deuterium (D) are presented. The performance of the source is described as a function of atomic flow rate and magnetic field. The data suggest that because atomic densities in the source are high, the system can approach spin-temperature equilibrium although applied magnetic fields are much larger than the critical field of the atoms. The authors also observe that potassium contamination in the source emittance can be reduced to a negligible amount using a teflon-lined transport tube

Theoretical realization of cluster-assembled hydrogen storage materials based on terminated carbon atomic chains.

Science.gov (United States)

Liu, Chun-Sheng; An, Hui; Guo, Ling-Ju; Zeng, Zhi; Ju, Xin

2011-01-14

The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorption of H(2) on the H-terminated chain, we show that two Li (Na) atoms each capping one end of the odd- or even-numbered carbon chain can hold ten H(2) molecules with optimal binding energies for room temperature storage. The hybridization of the Li 2p states with the H(2)σ orbitals contributes to the H(2) adsorption. However, the binding mechanism of the H(2) molecules on Na arises only from the polarization interaction between the charged Na atom and the H(2). Interestingly, additional H(2) molecules can be bound to the carbon atoms at the chain ends due to the charge transfer between Li 2s2p (Na 3s) and C 2p states. More importantly, dimerization of these isolated metal-capped chains does not affect the hydrogen binding energy significantly. In addition, a single chain can be stabilized effectively by the C(60) fullerenes termination. With a hydrogen uptake of ∼10 wt.% on Li-coated C(60)-C(n)-C(60) (n = 5, 8), the Li(12)C(60)-C(n)-Li(12)C(60) complex, keeping the number of adsorbed H(2) molecules per Li and stabilizing the dispersion of individual Li atoms, can serve as better building blocks of polymers than the (Li(12)C(60))(2) dimer. These findings suggest a new route to design cluster-assembled hydrogen storage materials based on terminated sp carbon chains.

Laser-driven source of spin-polarized atomic hydrogen and deuterium

International Nuclear Information System (INIS)

Poelker, M.

1995-01-01

A laser-driven source of spin-polarized hydrogen (H) and deuterium (D) that relies on the technique of optical pumping spin exchange has been constructed. In this source, H or D atoms and potassium atoms flow continuously through a drifilm-coated spin-exchange cell where potassium atoms are optically pumped with circularly-polarized laser light in a high magnetic field. The H or D atoms become polarized through spin-exchange collisions with polarized potassium atoms. High electron polarization (∼80%) has been measured for H and D atoms at flow rates ∼2x10 17 atoms/s. Lower polarization values are measured for flow rates exceeding 1x10 18 atoms/s. In this paper, we describe the performance of the laser-driven source as a function of H and D atomic flow rate, magnetic field strength, alkali density and pump-laser power. Polarization measurements as a function of flow rate and magnetic field suggest that, despite a high magnetic field, atoms within the optical-pumping spin-exchange apparatus evolve to spin-temperature equilibrium which results in direct polarization of the H and D nuclei. (orig.)

Atomic hydrogen cleaning of GaAs photocathodes

International Nuclear Information System (INIS)

Poelker, M.; Price, J.; Sinclair, C.

1997-01-01

It is well known that surface contaminants on semiconductors can be removed when samples are exposed to atomic hydrogen. Atomic H reacts with oxides and carbides on the surface, forming compounds that are liberated and subsequently pumped away. Experiments at Jefferson lab with bulk GaAs in a low-voltage ultra-high vacuum H cleaning chamber have resulted in the production of photocathodes with high photoelectron yield (i.e., quantum efficiency) and long lifetime. A small, portable H cleaning apparatus also has been constructed to successfully clean GaAs samples that are later removed from the vacuum apparatus, transported through air and installed in a high-voltage laser-driven spin-polarized electron source. These results indicate that this method is a versatile and robust alternative to conventional wet chemical etching procedures usually employed to clean bulk GaAs

Hydrogen atoms in a strong magnetic field

International Nuclear Information System (INIS)

Santos, R.R. dos.

1975-07-01

The energies and wave functions of the 14 lowest states of a Hydrogen atom in a strong magnetic field are calculated, using a variational scheme. The equivalence between the atomic problem and the problems related with excitons and impurities in semiconductors in the presence of a strong magnetic field are shown. The calculations of the energies and wave functions have been divided in two regions: the first, for the magnetic field ranging between zero and 10 9 G; in the second the magnetic field ranges between 10 9 and 10 11 G. The results have been compared with those obtained by previous authors. The computation time necessary for the calculations is small. Therefore this is a convenient scheme to obtain the energies and wave functions for the problem. Transition probabilities, wavelengths and oscillator strengths for some allowed transitions are also calculated. (Author) [pt

On the connection between the hydrogen atom and the harmonic oscillator: the continuum case

International Nuclear Information System (INIS)

Kibler, M.; Negadi, T.

1983-05-01

The connection between a three-dimensional nonrelativistic hydrogen atom with positive energy and a four-dimensional isotropic harmonic oscillator with repulsive potential is established by applying Jordan-Schwinger boson calculus to the algebra of the Laplace-Runge-Lenz-Pauli vector. The spectrum generating group SO(4,2) both for the bound and free states of the three-dimensional hydrogen atom arises as a quotient of the group Sp(8,R) associated to a four-dimensional isotropic harmonic oscillator with constraint

Diamond and Diamond-Like Materials as Hydrogen Isotope Barriers

International Nuclear Information System (INIS)

Foreman, L.R.; Barbero, R.S.; Carroll, D.W.; Archuleta, T.; Baker, J.; Devlin, D.; Duke, J.; Loemier, D.; Trukla, M.

1999-01-01

This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The purpose of this project was to develop diamond and diamond-like thin-films as hydrogen isotope permeation barriers. Hydrogen embrittlement limits the life of boost systems which otherwise might be increased to 25 years with a successful non-reactive barrier. Applications in tritium processing such as bottle filling processes, tritium recovery processes, and target filling processes could benefit from an effective barrier. Diamond-like films used for low permeability shells for ICF and HEDP targets were also investigated. Unacceptable high permeabilities for hydrogen were obtained for plasma-CVD diamond-like-carbon films

Plasma screening effects on the energies of hydrogen atom

International Nuclear Information System (INIS)

Soylu, A.

2012-01-01

A more general exponential cosine screened Coulomb potential is used for the first time to investigate the screening effects on the hydrogen atom in plasmas. This potential is examined for four different cases that correspond to four different type potentials when the different parameters are used in the potential within the framework of the well-known asymptotic iteration method. By solving the corresponding the radial Schrödinger equation with the screened and exponential cosine screened Coulomb potentials and comparing the obtained energy eigenvalues with the results of other studies, the applicability of the method to this kind of plasma physics problem is shown. The energy values of more general exponential cosine screened Coulomb potential are presented for various parameters in the potential. One of the advantages of the present potential is that it exhibits stronger screening effect than that of the exponential cosine screened Coulomb potential and it is also reduced to screened Coulomb and exponential cosine screened Coulomb as well as Coulomb potentials for special values of parameters. The parameters in the potential would be useful to model screening effects which cause an increase or decrease in the energy values of hydrogen atom in both Debye and quantum plasmas and in this manner this potential would be useful for the investigations of the atomic structure and collisions in plasmas.

Optical potential study of positron scattering by hydrogenic-type atoms

International Nuclear Information System (INIS)

Kuru Ratnavelu; Nithyanandan Natchimuthu; Kalai Kumar Rajgopal

1999-01-01

An optical potential method based on the close-coupling formalism has been implemented to study positron scattering by hydrogenic-type atoms. The present work will be reviewed in the context of other theories. Preliminary results will be presented and compared with experimental results. (author)

Graphene oxide/metal nanocrystal multilaminates as the atomic limit for safe and selective hydrogen storage.

Science.gov (United States)

Cho, Eun Seon; Ruminski, Anne M; Aloni, Shaul; Liu, Yi-Sheng; Guo, Jinghua; Urban, Jeffrey J

2016-02-23

Interest in hydrogen fuel is growing for automotive applications; however, safe, dense, solid-state hydrogen storage remains a formidable scientific challenge. Metal hydrides offer ample storage capacity and do not require cryogens or exceedingly high pressures for operation. However, hydrides have largely been abandoned because of oxidative instability and sluggish kinetics. We report a new, environmentally stable hydrogen storage material constructed of Mg nanocrystals encapsulated by atomically thin and gas-selective reduced graphene oxide (rGO) sheets. This material, protected from oxygen and moisture by the rGO layers, exhibits exceptionally dense hydrogen storage (6.5 wt% and 0.105 kg H2 per litre in the total composite). As rGO is atomically thin, this approach minimizes inactive mass in the composite, while also providing a kinetic enhancement to hydrogen sorption performance. These multilaminates of rGO-Mg are able to deliver exceptionally dense hydrogen storage and provide a material platform for harnessing the attributes of sensitive nanomaterials in demanding environments.

Effects of classical resonances on the chaotic microwave ionization of highly excited hydrogen atoms

Energy Technology Data Exchange (ETDEWEB)

Jensen, R V

1987-05-01

Experimental measurements of the microwave ionization of highly excited hydrogen atoms with principal quantum numbers ranging from n = 32 to 90 are well described by a classical treatment of the nonlinear electron dynamics. In particular, the measurements of the threshold field for the onset of significant ionization exhibits a curious dependence on the microwave frequency with distinct peaks at rational values of the scaled frequency, n/sup 3/..cap omega.. = 1, 2/3, 1/2, 2/5, 1/3, 1/4, 1/5, which is in excellent agreement with the predictions for the onset of classical chaos in a one-dimensional model of the experiment. In the classical theory this frequency dependence of the threshold fields is due to the stabilizing effect of nonlinear resonances (''islands'') in the classical phase space which is greatly enhanced when the microwave perturbation is turned on slowly (adiabatically) as in the experiments. Quantum calculations for this one-dimensional model also exhibit this stabilizing effect due to the preferential excitation of localized quasi-energy states.

Polarization effects in two-colour ionization of atomic hydrogen with incommensurable frequencies

International Nuclear Information System (INIS)

Cionga, A.

1993-01-01

The angular distribution of ejected electrons for two-colour ionization of atomic hydrogen are studied using an approach which takes into account the radiative corrections to both bound and the continuum states. One considers the ionization process in which one high-frequency photon has enough energy to ionize the atom, meanwhile, one extra-photon is exchanged between atomic system and the low-frequency field. We focus our attention to the case of two incommensurable frequencies. (Author)

Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation.

Science.gov (United States)

Zhou, Chong-Wen; Simmie, John M; Somers, Kieran P; Goldsmith, C Franklin; Curran, Henry J

2017-03-09

Hydrogen atom abstraction from allylic C-H bonds by molecular oxygen plays a very important role in determining the reactivity of fuel molecules having allylic hydrogen atoms. Rate constants for hydrogen atom abstraction by molecular oxygen from molecules with allylic sites have been calculated. A series of molecules with primary, secondary, tertiary, and super secondary allylic hydrogen atoms of alkene, furan, and alkylbenzene families are taken into consideration. Those molecules include propene, 2-butene, isobutene, 2-methylfuran, and toluene containing the primary allylic hydrogen atom; 1-butene, 1-pentene, 2-ethylfuran, ethylbenzene, and n-propylbenzene containing the secondary allylic hydrogen atom; 3-methyl-1-butene, 2-isopropylfuran, and isopropylbenzene containing tertiary allylic hydrogen atom; and 1-4-pentadiene containing super allylic secondary hydrogen atoms. The M06-2X/6-311++G(d,p) level of theory was used to optimize the geometries of all of the reactants, transition states, products and also the hinder rotation treatments for lower frequency modes. The G4 level of theory was used to calculate the electronic single point energies for those species to determine the 0 K barriers to reaction. Conventional transition state theory with Eckart tunnelling corrections was used to calculate the rate constants. The comparison between our calculated rate constants with the available experimental results from the literature shows good agreement for the reactions of propene and isobutene with molecular oxygen. The rate constant for toluene with O 2 is about an order magnitude slower than that experimentally derived from a comprehensive model proposed by Oehlschlaeger and coauthors. The results clearly indicate the need for a more detailed investigation of the combustion kinetics of toluene oxidation and its key pyrolysis and oxidation intermediates. Despite this, our computed barriers and rate constants retain an important internal consistency. Rate constants

On measurement of cross sections for scattering of pμ - and d μ -atoms in hydrogen and deuterium

International Nuclear Information System (INIS)

Bystritskij, V.M.

1993-01-01

The paper is a brief review of all experiments on measurement of cross sections for scattering of pμ - atoms in hydrogen and dμ - atoms in hydrogen and deuterium. The experimental results are analysed and compared both with one another and with calculated results. A program for further investigation of scattering of muonic atoms of hydrogen isotopes is proposed in order to clarify the nature of discrepancies between some experimental results and to get more precise information about the above processes. (author.). 24 refs.; 4 figs.; 3 tabs

Reactions of butadiyne. 1: The reaction with hydrogen atoms

Science.gov (United States)

Schwanebeck, W.; Warnatz, J.

1984-01-01

The reaction of hydrogen (H) atoms with butadiene (C4H2) was studied at room temperature in a pressure range between w mbar and 10 mbar. The primary step was an addition of H to C4H2 which is in its high pressure range at p 1 mbar. Under these conditions the following addition of a second H atom lies in the transition region between low and high pressure range. Vibrationally excited C4H4 can be deactivated to form buten-(1)-yne-(3)(C4H4) or decomposes into two C2H2 molecules. The rate constant at room temperature for primary step is given. The second order rate constant for the consumption of buten-(1)-yne-(3) is an H atom excess at room temperature is given.

New hybrid non-linear transformations of divergent perturbation series for quadratic Zeeman effects

International Nuclear Information System (INIS)

Belkic, D.

1989-01-01

The problem of hydrogen atoms in an external uniform magnetic field (quadratic Zeeman effect) is studied by means of perturbation theory. The power series for the ground-state energy in terms of magnetic-field strength B is divergent. Nevertheless, it is possible to induce convergence of this divergent series by applying various non-linear transformations. These transformations of originally divergent perturbation series yield new sequences, which then converge. The induced convergence is, however, quite slow. A new hybrid Shanks-Levin non-linear transform is devised here for accelerating these slowly converging series and sequences. Significant improvement in the convergence rate is obtained. Agreement with the exact results is excellent. (author)

New template for metal decoration and hydrogen adsorption on graphene-like C3N4

International Nuclear Information System (INIS)

Zhang Yi; Sun Hong; Chen Changfeng

2009-01-01

From density functional theory calculations we identify a graphene-like C 3 N 4 (g-C 3 N 4 ) as an excellent template for stable and well dispersed decoration of alkali (Li) and 3d transition metal (TM) atoms. The porous sites of g-C 3 N 4 accommodate excessive N lone-pair electrons and promote hybridization between the orbitals of N and the metal atoms. The most stable TM decorations (Ti and Sc) on g-C 3 N 4 exhibit high capacities of hydrogen adsorption with binding energies suitable for mobile applications. These metal decorated g-C 3 N 4 may also prove useful in catalytic and sensing applications for their unique nanoscale structural features unavailable in conventional nano-clusters.

Variational approach to excitation of atomic hydrogen atoms by impacts of protons at intermediate velocities

International Nuclear Information System (INIS)

Lasri, B.; Bouamoud, M.; Gayet, R.

2006-01-01

A variational approach to the excitation of atoms by ion impacts at intermediate velocities is re-examined. Contributions from intermediate states of the target continuum, that were ignored in previous applications of this approach, are taken into account. With this improved variational approach, excitation cross sections of hydrogen atoms by intermediate energy protons are calculated and compared to recent experimental data and to previous theoretical cross sections. The influence of the intermediate target continuum is found to be very weak. In addition, the present approach is shown to apply as long as the capture process is negligible

Numerology, hydrogenic levels, and the ordering of excited states in one-electron atoms

Science.gov (United States)

Armstrong, Lloyd, Jr.

1982-03-01

We show that the observed ordering of Rydberg states of one-electron atoms can be understood by assuming that these states are basically hydrogenic in nature. Much of the confusion concerning this point is shown to arise from the failure to differentiate between hydrogenic ordering as the nuclear charge approaches infinity, and hydrogenic ordering for an effective charge of one. The origin of κ ordering of Rydberg levels suggested by Sternheimer is considered within this picture, and the predictions of κ ordering are compared with those obtained by assuming hydrogenic ordering.

A sensitive hydrogen peroxide sensor based on leaf-like silver

International Nuclear Information System (INIS)

Meng, Zuchao; Zhang, Mingyin; Zhang, Hongfang; Zheng, Jianbin

2014-01-01

A novel non-enzymatic hydrogen peroxide sensor based on leaf-like silver was constructed. The leaf-like silver was synthesized on the surface of L-cysteine (L-cys) by electrodeposition. Scanning electron microscopy and electrochemical techniques were used to characterize the leaf-like silver nanoparticles. The sensor showed high electrocatalytic activity towards the reduction of hydrogen peroxide. A wide linear range of 2.5–1.5 mM with a low detection limit of 0.7 µM was obtained. Excellent electrocatalytic activity, large surface-to-volume ratio and efficient electron transport properties of leaf-like silver have enabled stable and highly sensitive performance for the non-enzymatic hydrogen peroxide sensor. (paper)

Methane Formation by Flame-Generated Hydrogen Atoms in the Flame Ionization Detector

DEFF Research Database (Denmark)

Holm, Torkil; Madsen, Jørgen Øgaard

1996-01-01

, and conceivably all hydrocarbons are quantitatively converted into methane at temperatures below 600 C, that is, before the proper combustion has started. The splitting of the C-C bonds is preceded by hydrogenation of double and triple bonds and aromatic rings. The reactions, no doubt, are caused by hydrogen...... atoms, which are formed in the burning hydrogen and which diffuse into the inner core of the flame. The quantitative formation of methane appears to explain the "equal per carbon" rule for the detector response of hydrocarbons, since all carbons are "exchanged" for methane molecules....

Ion cyclotron resonance study of reactions of ions with hydrogen atoms

International Nuclear Information System (INIS)

Karpas, Z.; Anicich, V.; Huntress, W.T. Jr.

1979-01-01

Reactions of H 2 + , HeH + , and CO 2 + ions with hydrogen atoms, and the reactions of D 2 + , CO 2 + , CO + , N 2 + and HCN + with deuterium atoms, were studied using ion cyclotron resonance techniques. These reactions proceed predominantly via a charge transfer mechanism. The rate constants measured are: 6.4, 9.1, 1.1, 5.0, 0.84, 0.90, 1.2, and 0.37 x 10 -10 cm 3 /sec, respectively. Hydrocarbon ions of the types CH/sub n/ + and C 2 H/sub n/ + , where n=2--4, do not react with H or D atoms

Evidence for atomic scale disorder in indium nitride from perturbed angular correlation spectroscopy

International Nuclear Information System (INIS)

Dogra, R; Shrestha, S K; Byrne, A P; Ridgway, M C; Edge, A V J; Vianden, R; Penner, J; Timmers, H

2005-01-01

The crystal lattice of bulk grains and state-of-the-art films of indium nitride was investigated at the atomic scale with perturbed angular correlation spectroscopy using the 111 In/Cd radioisotope probe. The probe was introduced during sample synthesis, by diffusion and by ion implantation. The mean quadrupole interaction frequency ν Q = 28 MHz was observed at the indium probe site in all types of indium nitride samples with broad frequency distributions. The observed small, but non-zero, asymmetry parameter indicates broken symmetry around the probe atoms. Results have been compared with theoretical calculations based on the point charge model. The consistency of the experimental results and their independence of the preparation technique suggest that the origin of the broad frequency distribution is inherent to indium nitride, indicating a high degree of disorder at the atomic scale. Due to the low dissociation temperature of indium nitride, furnace and rapid thermal annealing at atmospheric pressure reduce the lattice disorder only marginally

Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Addition of Hydrogen Atoms.

Science.gov (United States)

Lindquist, Beth A; Takeshita, Tyler Y; Dunning, Thom H

2016-05-05

Ozone (O3) and sulfur dioxide (SO2) are valence isoelectronic species, yet their properties and reactivities differ dramatically. In particular, O3 is highly reactive, whereas SO2 is chemically relatively stable. In this paper, we investigate serial addition of hydrogen atoms to both the terminal atoms of O3 and SO2 and to the central atom of these species. It is well-known that the terminal atoms of O3 are much more amenable to bond formation than those of SO2. We show that the differences in the electronic structure of the π systems in the parent triatomic species account for the differences in the addition of hydrogen atoms to the terminal atoms of O3 and SO2. Further, we find that the π system in SO2, which is a recoupled pair bond dyad, facilitates the addition of hydrogen atoms to the sulfur atom, resulting in stable HSO2 and H2SO2 species.

Hydrogen atom and the H+2 and HeH++ molecular ions inside prolate spheroidal boxes

International Nuclear Information System (INIS)

Ley-Koo, E.; Cruz, S.A.

1981-01-01

We formulate the exact solution of the Schroedinger equation for systems of one electron in the Coulomb field of one or two fixed nuclei at the foci inside prolate spheroidal boxes. Numerical results are obtained for the energy eigenvalues and eigenfunctions of the lowest states of the hydrogen atom and the H + 2 and HeH ++ molecular ions for boxes of different sizes and eccentricities. We also evaluate the hyperfine splitting of atomic hydrogen and of H + 2

Photoexcitation and ionization of hydrogen atom confined in Debye environment

International Nuclear Information System (INIS)

Lumb, S.; Lumb, S.; Nautiyal, V.

2015-01-01

The dynamics of a hydrogen atom confined in an impenetrable spherical box and under the effect of Debye screening, in the presence of intense short laser pulses of few femtosecond is studied in detail. The energy spectra and wave functions have been calculated using Bernstein polynomial (B-polynomial) method. Variation of transition probabilities for various transitions due to changes in Debye screening length, confinement radius as well as the parameters characterizing applied laser pulse is studied and explained. The results are found to be in good agreement with the results obtained by others. The photoexcitation and ionization of the atom strongly depend on confinement radius and screening parameter. For small confinement radii and for some values of screening parameter the atom is found to be ionized easily. The dynamics of the atom can be easily controlled by varying pulse parameters

Self-Regular Black Holes Quantized by means of an Analogue to Hydrogen Atoms

Directory of Open Access Journals (Sweden)

Chang Liu

2016-01-01

Full Text Available We suggest a quantum black hole model that is based on an analogue to hydrogen atoms. A self-regular Schwarzschild-AdS black hole is investigated, where the mass density of the extreme black hole is given by the probability density of the ground state of hydrogen atoms and the mass densities of nonextreme black holes are given by the probability densities of excited states with no angular momenta. Such an analogue is inclined to adopt quantization of black hole horizons. In this way, the total mass of black holes is quantized. Furthermore, the quantum hoop conjecture and the Correspondence Principle are discussed.

Charge transfer between hydrogen(deuterium) ions and atoms in metal vapors

International Nuclear Information System (INIS)

Alvarez T, I.; Cisneros G, C.

1981-01-01

The current state of the experiments on charge transfer between hydrogen (deuterium) ions and atoms in metal vapors are given. Emphasis is given to describing different experimental techniques. The results of calculations if available, are compared with existing experimental data. (author)

Perturbation-induced emergence of Poisson-like behavior in non-Poisson systems

International Nuclear Information System (INIS)

Akin, Osman C; Grigolini, Paolo; Paradisi, Paolo

2009-01-01

The response of a system with ON–OFF intermittency to an external harmonic perturbation is discussed. ON–OFF intermittency is described by means of a sequence of random events, i.e., the transitions from the ON to the OFF state and vice versa. The unperturbed waiting times (WTs) between two events are assumed to satisfy a renewal condition, i.e., the WTs are statistically independent random variables. The response of a renewal model with non-Poisson ON–OFF intermittency, associated with non-exponential WT distribution, is analyzed by looking at the changes induced in the WT statistical distribution by the harmonic perturbation. The scaling properties are also studied by means of diffusion entropy analysis. It is found that, in the range of fast and relatively strong perturbation, the non-Poisson system displays a Poisson-like behavior in both WT distribution and scaling. In particular, the histogram of perturbed WTs becomes a sequence of equally spaced peaks, with intensity decaying exponentially in time. Further, the diffusion entropy detects an ordinary scaling (related to normal diffusion) instead of the expected unperturbed anomalous scaling related to the inverse power-law decay. Thus, an analysis based on the WT histogram and/or on scaling methods has to be considered with some care when dealing with perturbed intermittent systems

Time-resolved X-ray scattering by electronic wave packets: analytic solutions to the hydrogen atom

DEFF Research Database (Denmark)

Simmermacher, Mats; Henriksen, Niels Engholm; Møller, Klaus Braagaard

2017-01-01

Modern pulsed X-ray sources permit time-dependent measurements of dynamical changes in atoms and molecules via non-resonant scattering. The planning, analysis, and interpretation of such experiments, however, require a firm and elaborated theoretical framework. This paper provides a detailed...... description of time-resolved X-ray scattering by non-stationary electronic wave packets in atomic systems. A consistent application of the Waller-Hartree approximation is discussed and different contributions to the total differential scattering signal are identified and interpreted. Moreover......, it is demonstrated how the scattering signal of wave packets in the hydrogen atom can be expressed analytically. This permits simulations without numerical integration and establishes a benchmark for both efficiency and accuracy. Based on that, scattering patterns of an exemplary wave packet in the hydrogen atom...

Hydrogen atom in phase space

International Nuclear Information System (INIS)

Chetouani, L.; Hammann, T.F.

1987-01-01

The Hamiltonian of the three-dimensional hydrogen atom is reduced, in parabolic coordinates, to the Hamiltonians of two bidimensional harmonic oscillators, by doing several space-time transformations,separating the movement along the three parabolic directions (ξ,eta,phi), and introducing two auxiliary angular variables psi and psi', 0≤psi, psi'≤2π. The Green's function is developed into partial Green's functions, and expressed in terms of two Green's functions that describe the movements along both the ξ and eta axes. Introducing auxiliary Hamiltonians allows one to calculate the Green's function in the configurational space, via the phase-space evolution function of the two-dimensional harmonic oscillator. The auxiliary variables psi and psi' are eliminated by projection. The thus-obtained Green's function, save for a multiplicating factor, coincides with that calculated following the path-integral formalism

Atomic layer deposition of high-mobility hydrogen-doped zinc oxide

NARCIS (Netherlands)

Macco, B.; Knoops, H.C.M.; Verheijen, M.A.; Beyer, W.; Creatore, M.; Kessels, W.M.M.

2017-01-01

In this work, atomic layer deposition (ALD) has been employed to prepare high-mobility H-doped zinc oxide (ZnO:H) films. Hydrogen doping was achieved by interleaving the ZnO ALD cycles with H2 plasma treatments. It has been shown that doping with H2 plasma offers key advantages over traditional

Hydrogen atom spectrum and the Lamb shift in noncommutative QED

International Nuclear Information System (INIS)

Chaichian, M. . Helsinki Institute of Physics, Helsinki; Tureanu, A. . Helsinki Institute of Physics, Helsinki; FI)

2000-10-01

We have calculated the energy levels of the hydrogen atom and as well the Lamb shift within the noncommutative quantum electrodynamics theory. The results show deviations from the usual QED both on the classical and on the quantum levels. On both levels, the deviations depend on the parameter of space/space noncommutativity. (author)

Multiple pole in the electron--hydrogen-atom scattering amplitude

International Nuclear Information System (INIS)

Amusia, M.Y.; Kuchiev, M.Y.

1982-01-01

It is demonstrated that the amplitude for electron--hydrogen-atom forward scattering has the third-order pole at the point E = -13.6 eV, E being the energy of the incident electron. The coefficients which characterize the pole are calculated exactly. The invalidity of the Born approximation is proved. The contribution of the pole singularity to the dispersion relation for the scattering amplitude is discussed

Positron scattering by atomic hydrogen including positronium formation

International Nuclear Information System (INIS)

Higgins, K.; Burke, P.G.

1993-01-01

Positron scattering by atomic hydrogen including positronium formation has been formulated using the R-matrix method and a general computer code written. Partial wave elastic and ground state positronium formation cross sections have been calculated for L ≤ 6 using a six-state approximation which includes the ground state and the 2s and 2p pseudostates of both hydrogen and positronium. The elastic scattering results obtained are in good agreement with those derived from a highly accurate calculation based upon the intermediate energy R-matrix approach. As in a previous coupled-channel static calculation, resonance effects are observed at intermediate energies in the S-wave positronium formation cross section. However, in the present results, the dominant resonance arises in the P-wave cross sections at an energy of 2.73 Ryd and with a width of 0.19 Ryd. (author)

Charge transfer to the continuum by heavy ions in atomic hydrogen

International Nuclear Information System (INIS)

Sellin, I.A.

1981-01-01

Design and installation of an atomic hydrogen target for measurements of charge transfer to the continuum by heavy ions are discussed. The design consists of a tungsten gas cell operated at temperatures of 2500 to 2600 0 K. Initial testing is underway

Invariant exchange perturbation theory for multicenter systems: Time-dependent perturbations

International Nuclear Information System (INIS)

Orlenko, E. V.; Evstafev, A. V.; Orlenko, F. E.

2015-01-01

A formalism of exchange perturbation theory (EPT) is developed for the case of interactions that explicitly depend on time. Corrections to the wave function obtained in any order of perturbation theory and represented in an invariant form include exchange contributions due to intercenter electron permutations in complex multicenter systems. For collisions of atomic systems with an arbitrary type of interaction, general expressions are obtained for the transfer (T) and scattering (S) matrices in which intercenter electron permutations between overlapping nonorthogonal states belonging to different centers (atoms) are consistently taken into account. The problem of collision of alpha particles with lithium atoms accompanied by the redistribution of electrons between centers is considered. The differential and total charge-exchange cross sections of lithium are calculated

Generalization of the Z expansion scheme in atoms

Energy Technology Data Exchange (ETDEWEB)

Horak, Z J; Maca, F [Czechoslovak Academy of Sciences, Praha, (Czechoslovakia). Inst. of Solid State Physics

1979-03-01

A perturbation theory is described which recovers the ordinary Z-expansion scheme in the limit Z ..-->.. infinity. It introduces nonintegral principal quantum numbers and orbitals of analytical form which is more realistic than hydrogen-like orbitals.

Pt Single Atoms Embedded in the Surface of Ni Nanocrystals as Highly Active Catalysts for Selective Hydrogenation of Nitro Compounds.

Science.gov (United States)

Peng, Yuhan; Geng, Zhigang; Zhao, Songtao; Wang, Liangbing; Li, Hongliang; Wang, Xu; Zheng, Xusheng; Zhu, Junfa; Li, Zhenyu; Si, Rui; Zeng, Jie

2018-06-13

Single-atom catalysts exhibit high selectivity in hydrogenation due to their isolated active sites, which ensure uniform adsorption configurations of substrate molecules. Compared with the achievement in catalytic selectivity, there is still a long way to go in exploiting the catalytic activity of single-atom catalysts. Herein, we developed highly active and selective catalysts in selective hydrogenation by embedding Pt single atoms in the surface of Ni nanocrystals (denoted as Pt 1 /Ni nanocrystals). During the hydrogenation of 3-nitrostyrene, the TOF numbers based on surface Pt atoms of Pt 1 /Ni nanocrystals reached ∼1800 h -1 under 3 atm of H 2 at 40 °C, much higher than that of Pt single atoms supported on active carbon, TiO 2 , SiO 2 , and ZSM-5. Mechanistic studies reveal that the remarkable activity of Pt 1 /Ni nanocrystals derived from sufficient hydrogen supply because of spontaneous dissociation of H 2 on both Pt and Ni atoms as well as facile diffusion of H atoms on Pt 1 /Ni nanocrystals. Moreover, the ensemble composed of the Pt single atom and nearby Ni atoms in Pt 1 /Ni nanocrystals leads to the adsorption configuration of 3-nitrostyrene favorable for the activation of nitro groups, accounting for the high selectivity for 3-vinylaniline.

Magnetic interaction of positronium atoms measured by perturbed angular distribution in 3 gamma annihilation decay

International Nuclear Information System (INIS)

Ivanov, E.; Vata, I.; Plostinaru, D.; Catana, D.; Dudu, D.; Constantinescu, O.

2003-01-01

The Time Differential Perturbed Angular Distribution (TDPAD) method in connection with long-lived Positron Life-Time Spectroscopy (PLTS) have been used to observe 'quantum beat' spin oscillations of positronium atom in an external magnetic field. Our results offer an encouraging hint toward a new method of condensed matter investigation by PLTS. Similarities with Muonium Spin Rotation (μSR) method are suggested. (authors)

Joint General Atomic-TAERF fusion program

Energy Technology Data Exchange (ETDEWEB)

Kerst, D W [John Jay Hopkins Laboratory for Pure and Applied Science, General Atomic Division of General Dynamics Corporation, San Diego, CA (United States)

1958-07-01

The experimental work has consisted of several parts: the study of charge exchange in hydrogen ionic and atomic collisions, the study of some linear pinch discharge systems with high stabilizing axial magnetic fields, developments on a small scale for a large toroidal geometry, and experiments with various diagnostic methods, including electrical, optical, and shock-tube methods. The experiments on atomic collisions have consisted of measurements of cross sections for the ionization, the excitation of Lyman-alpha radiation, and elastic scattering for the case of electron bombardment. In addition, charge-exchange cross sections between deuterons and deuterium atoms have been measured. The calculations of Dalgarno and Yadav, using a perturbed stationary-state approximation are close to the experimental results which show a very large cross section for charge exchange.

High temperature equation of state of metallic hydrogen

International Nuclear Information System (INIS)

Shvets, V. T.

2007-01-01

The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures from 3000 to 20 000 K and densities from 0.2 to 3 mol/cm 3 , which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the conditions in the cores of giant planets of the solar system such as Jupiter and Saturn. It is assumed that hydrogen is in an atomic state and all its electrons are collectivized. Perturbation theory in the electron-proton interaction is applied to determine the thermodynamic potentials of metallic hydrogen. The electron subsystem is considered in the randomphase approximation with regard to the exchange interaction and the correlation of electrons in the local-field approximation. The proton-proton interaction is taken into account in the hard-spheres approximation. The thermodynamic characteristics of metallic hydrogen are calculated with regard to the zero-, second-, and third-order perturbation theory terms. The third-order term proves to be rather essential at moderately high temperatures and densities, although it is much smaller than the second-order term. The thermodynamic potentials of metallic hydrogen are monotonically increasing functions of density and temperature. The values of pressure for the temperatures and pressures that are characteristic of the conditions under which metallic hydrogen is produced on earth coincide with the corresponding values reported by the discoverers of metallic hydrogen to a high degree of accuracy. The temperature and density ranges are found in which there exists a liquid phase of metallic hydrogen

Dirac equation, hydrogen atom spectrum and the Lamb shift in ...

Indian Academy of Sciences (India)

2017-04-12

Apr 12, 2017 ... Abstract. We derive the relativistic Hamiltonian of hydrogen atom in dynamical non-commutative spaces. (DNCS or τ-space). Using this Hamiltonian we calculate the energy shift of the ground state as well the 2P1/2, 2S1/2 levels. In all the cases, the energy shift depends on the dynamical non-commutative ...

Hydrogen atom injection into carbon surfaces by comparison between Monte-Carlo, molecular dynamics and ab-initio calculations

International Nuclear Information System (INIS)

Ito, A.; Kenmotsu, T.; Kikuhara, Y.; Inai, K.; Ohya, K.; Wang, Y.; Irle, S.; Morokuma, K.; Nakamura, H.

2009-01-01

Full text: To understand the plasma-wall interaction on divertor plates, we investigate the interaction of hydrogen atoms and carbon materials used in the high heat flux components by the use of the following simulations. Monte-Carlo (MC) method based on binary collision approximation can calculate the sputtering process of hydrogen atoms on the carbon material quickly. Classical molecular dynamics (MD) method employs multi-body potential models and can treat realistic structures of crystal and molecule. The ab-initio method can calculate electron energy in quantum mechanics, which is regarded as realistic potential for atoms. In the present paper, the interaction of the hydrogen and the carbon material is investigated using the multi-scale (MC, MD and ab-initio) methods. The bombardment of hydrogen atoms onto the carbon material is simulated by the ACAT-code of the MC method, which cannot represent the structure of crystal, and the MD method using modified reactive empirical bond order (REBO) potential, which treats single crystal graphite and amorphous carbon. Consequently, we clarify that the sputtering yield and the reflection rate calculated by the ACAT-code agree with those on the amorphous carbon calculated by the MD. Moreover, there are many kinds of REBO potential for the MD. Adsorption, reflection and penetration rates between a hydrogen atom and a graphene surface are calculated by the MD simulations using the two kinds of potential model. For the incident energy of less than 1 eV, the MD simulation using the modified REBO potential, which is based on Brenner's REBO potential in 2002, shows that reflection is dominant, while the most popular Brenner's REBO potential in 1990 shows that adsorption is dominant. This reflection of the low energy injection is caused by a small potential barrier for the hydrogen atom in the modified REBO potential. The small potential barrier is confirmed by the ab-initio calculations, which are hybrid DFT (B3LYP/cc-pVDZ), ab

Hydrogen atom in a uniform electromagnetic field as an anharmonic oscillator

International Nuclear Information System (INIS)

Kibler, M.; Negadi, T.

1984-01-01

This work establishes, by means of the Kustaanheimo-Stiefel transformation, a connection between two branches of theoretical physics which are, in present times, the object of numerous studies: the quantum mechanics of anharmonic oscillators and of the hydrogen atom in a (strong) homogeneous and constant electromagnetic field

Calculation of the 1s-2s two-photon excitation cross-section in atomic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Celik, G.; Celik, E.; Kilic, H.S. [Selcuk Univ., Dept. of Physics, Faculty of Arts and Science (Turkey)

2008-12-15

The two-photon excitation cross-section of atomic hydrogen is calculated using explicit summation over intermediate states within the framework of dipole approximation. The matrix element for two-photon excitation is transformed into finite sums, consisting of the product of a radial and angular part. Nine intermediate states are employed in the calculation of the transition matrix element. The two-photon excitation cross-section obtained for the transition 1s{sup 2}S{sub 1/2}-2s{sup 2}S{sub 1/2} in atomic hydrogen is in good agreement with the literature. (authors)

Calculation of the 1s-2s two-photon excitation cross-section in atomic hydrogen

International Nuclear Information System (INIS)

Celik, G.; Celik, E.; Kilic, H.S.

2008-01-01

The two-photon excitation cross-section of atomic hydrogen is calculated using explicit summation over intermediate states within the framework of dipole approximation. The matrix element for two-photon excitation is transformed into finite sums, consisting of the product of a radial and angular part. Nine intermediate states are employed in the calculation of the transition matrix element. The two-photon excitation cross-section obtained for the transition 1s 2 S 1/2 -2s 2 S 1/2 in atomic hydrogen is in good agreement with the literature. (authors)

Effect of Ge atoms on crystal structure and optoelectronic properties of hydrogenated Si-Ge films

Science.gov (United States)

Li, Tianwei; Zhang, Jianjun; Ma, Ying; Yu, Yunwu; Zhao, Ying

2017-07-01

Optoelectronic and structural properties of hydrogenated microcrystalline silicon-germanium (μc-Si1-xGex:H) alloys prepared by radio-frequency plasma-enhanced chemical vapor deposition (RF-PECVD) were investigated. When the Ge atoms were predominantly incorporated in amorphous matrix, the dark and photo-conductivity decreased due to the reduced crystalline volume fraction of the Si atoms (XSi-Si) and the increased Ge dangling bond density. The photosensitivity decreased monotonously with Ge incorporation under higher hydrogen dilution condition, which was attributed to the increase in both crystallization of Ge and the defect density.

Hydrogen-Atom Attack on Methyl Viologen in Aqueous Solution Studied by Pulse Radiolysis

DEFF Research Database (Denmark)

Solar, S.; Solar, W.; Getoff, N.

1984-01-01

Using hydrogen at high pressures of up to 150 bar (0.12 mol dm–3 H2) as an OH scavenger in aqueous MV2+ solutions (pH 1) it is possible to differentiate between two kinds of transient formed simultaneously by H-atom attack on methyl viologen. One of them is assigned to an H adduct on the N atom, ...

Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype study.

Science.gov (United States)

Pham, Buu Q; Gordon, Mark S

2016-12-07

The thermodynamic and kinetic controls of graphene chemistry are studied computationally using a graphene hydrogenation reaction and polyaromatic hydrocarbons to represent the graphene surface. Hydrogen atoms are concertedly chemisorped onto the surface of graphene models of different shapes (i.e., all-zigzag, all-armchair, zigzag-armchair mixed edges) and sizes (i.e., from 16-42 carbon atoms). The second-order Z-averaged perturbation theory (ZAPT2) method combined with Pople double and triple zeta basis sets are used for all calculations. It is found that both the net enthalpy change and the barrier height of graphene hydrogenation at graphene edges are lower than at their interior surfaces. While the thermodynamic product distribution is mainly determined by the remaining π-islands of functionalized graphenes (Phys. Chem. Chem. Phys., 2013, 15, 3725-3735), the kinetics of the reaction is primarily correlated with the localization of the electrostatic potential of the graphene surface.

Atomic data for dielectronic recombination into Mg-like Fe

International Nuclear Information System (INIS)

Murakami, I.; Kato, T.; Kato, D.; Safronova, U.I.; Cowan, T.E.; Ralchenko, Yu.

2006-03-01

Energy levels, radiative transition probabilities, and autoionization rates for 1s 2 2s 2 2p 6 3l'nl (n=3-12, l≤n-1) and 1s 2 2s 2 2p 6 4l'nl (n=4-7, l≤n-1) states in Mg-like iron (Fe 14+ ) are calculated by the Hartree-Fock-Relativistic method (Cowan code) and the relativistic many-body perturbation theory method (RMBPT code). Autoionizing levels above three thresholds 1s 2 2s 2 2p 6 3s, 1s 2 2s 2 2p 6 3p, and 1s 2 2s 2 2p 6 3d are considered. It is found that configuration mixing [3sns + 3pnp + 3dnd], [3snp + 3pns + 3pnd + 3dnp] play an important role for all atomic characteristics. Branching ratios relative to the first threshold and intensity factors for satellite lines are calculated, and dielectronic recombination (DR) rate coefficients are determined for the excited 444 odd-parity and 419 even-parity states. It is shown that the contribution of the highly-excited states is very important for calculation of DR rates. Contribution from the excited 1s 2 2s 2 2p 6 3l'nl states with n≥12 and 1s 2 2s 2 2p 6 4l'nl states with n≥7 to DR rate coefficients are estimated by extrapolation of all atomic characteristics. The total DR rate coefficient is derived as a function of electron temperature. (author)

Electron capture in collisions of S{sup 4+} with atomic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Stancil, P.C. [Department of Physics and Astronomy, University of Georgia, Athens, GA (United States)]. E-mail: stancil@physast.uga.edu; Turner, A.R. [Department of Chemistry, University of Liverpool, Liverpool (United Kingdom)]. E-mail: art@liv.ac.uk; Cooper, D.L. [Department of Chemistry, University of Liverpool, Liverpool (United Kingdom)]. E-mail: dlc@liv.ac.uk; Schultz, D.R. [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States)]. E-mail: schultz@mail.phy.ornl.gov; Rakovic, M.J. [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States)]. E-mail: milun@mail.phy.ornl.gov; Fritsch, W. [Abteilung Theoretische Physik, Hahn-Meitner-Institut Berlin, Berlin (Germany)]. E-mail: fritsch@hmi.de; Zygelman, B. [Department of Physics, University of Nevada, Las Vegas, NV (United States)]. E-mail: bernard@physics.unlv.edu

2001-06-28

Charge transfer processes due to collisions of ground state S{sup 4+}(3s{sup 2} {sup 1}S) ions with atomic hydrogen are investigated for energies between 1 meV u{sup -1} and 10 MeV u{sup -1} using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S{sup 3+} excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 10{sup 6} K are also presented. (author)

Formation of the low-resistivity compound Cu_3Ge by low-temperature treatment in an atomic hydrogen flux

International Nuclear Information System (INIS)

Erofeev, E. V.; Kazimirov, A. I.; Fedin, I. V.; Kagadei, V. A.

2016-01-01

The systematic features of the formation of the low-resistivity compound Cu_3Ge by low-temperature treatment of a Cu/Ge two-layer system in an atomic hydrogen flux are studied. The Cu/Ge two-layer system is deposited onto an i-GaAs substrate. Treatment of the Cu/Ge/i-GaAs system, in which the layer thicknesses are, correspondingly, 122 and 78 nm, in atomic hydrogen with a flux density of 10"1"5 at cm"2 s"–"1 for 2.5–10 min at room temperature induces the interdiffusion of Cu and Ge, with the formation of a polycrystalline film containing the stoichiometric Cu_3Ge phase. The film consists of vertically oriented grains 100–150 nm in size and exhibits a minimum resistivity of 4.5 µΩ cm. Variations in the time of treatment of the Cu/Ge/i-GaAs samples in atomic hydrogen affect the Cu and Ge depth distribution, the phase composition of the films, and their resistivity. Experimental observation of the synthesis of the Cu_3Ge compound at room temperature suggests that treatment in atomic hydrogen has a stimulating effect on both the diffusion of Cu and Ge and the chemical reaction of Cu_3Ge-compound formation. These processes can be activated by the energy released upon the recombination of hydrogen atoms adsorbed at the surface of the Cu/Ge/i-GaAs sample.

Measurements of recombination coefficient of hydrogen atoms on plasma deposited thin films

International Nuclear Information System (INIS)

Drenik, A.; Vesel, A.; Mozetic, M.

2006-01-01

We have performed experiments in plasma afterglow in order to determine the recombination coefficients of plasma deposited thin films of tungsten and graphite. Plasma deposited films rather than bulk material were used in order to more closely emulate surface structure of plasma-facing material deposits in fusion reactors. We have also determined the recombination coefficient of 85250 borosilicate glass and Teflon. Plasma was created by means of a radio frequency generator in a mixture of argon and hydrogen at the pressures between 60 Pa and 280 Pa. The degree of dissociation of hydrogen molecules was found to be between 0.1 and 1. The H-atom density was measured by Fiber Optic Catalytic Probe. The recombination coefficient was determined by measuring the axial profile of the H-atom density and using Smith's side arm diffusion model. (author)

A classical treatment of the quadratic Zeeman effect in atomic hydrogen

Science.gov (United States)

Al-Laithy, M. A.; Farmer, C. M.; McDowell, M. R. C.

1985-03-01

A description of the non-relativistic classical motion of the electron of a hydrogen atom in the presence of a static magnetic field of arbitrary (non-relativistic) strength is given for arbitrary angular momentum. Applications are given to m = 0 and m = 3 at B = 26.877 kG.

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron

Science.gov (United States)

Barklem, P. S.

2018-05-01

Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A90

Hydrogen atom in a magnetic field: Ghost orbits, catastrophes, and uniform semiclassical approximations

International Nuclear Information System (INIS)

Main, J.; Wunner, G.

1997-01-01

Applying closed-orbit theory to the recurrence spectra of the hydrogen atom in a magnetic field, one can interpret most, but not all, structures semiclassically in terms of closed classical orbits. In particular, conventional closed-orbit theory fails near bifurcations of orbits where semiclassical amplitudes exhibit unphysical divergences. Here we analyze the role of ghost orbits living in complex phase space. The ghosts can explain resonance structures in the spectra of the hydrogen atom in a magnetic field at positions where no real orbits exist. For three different types of catastrophes, viz. fold, cusp, and butterfly catastrophes, we construct uniform semiclassical approximations and demonstrate that these solutions are completely determined by classical parameters of the real orbits and complex ghosts. copyright 1997 The American Physical Society

The populations of excited levels of hydrogen-like and helium-like ions in plasmas traversed by neutral hydrogen beams

International Nuclear Information System (INIS)

Spence, J.; Summers, H.P.

1985-01-01

This paper examines the populations of levels of impurity ions in a spartially homogeneous plasma containing primarily thermal electrons and protons and monoenergetic neutral hydrogen atoms. Of special concern is the role of recombination which may include the radiative, three-body and dielectronic process together with charge exchange capture from neutral hydrogen beams. The influence of these primary processes on the population is modified by radiative transitions and redistributive transitions due to collisions with electrons and protons in the plasma. The behaviour of the populations of the ions C 5+ , C 4+ and Ar 16+ with variation of plasma parameters is explored in the present work. A bundled principal quantum level picture and a more elaborate LS resolved picture are used which allow investigation of the expected spectral emission and its sensitivity to uncertainty in the primary rates. The variation of the impurity ion spectrum in transiently recombining or ionising conditions is also considered. (orig.)

ATOMIC HYDROGEN IN A GALACTIC CENTER OUTFLOW

Energy Technology Data Exchange (ETDEWEB)

McClure-Griffiths, N. M.; Green, J. A.; Hill, A. S. [Australia Telescope National Facility, CSIRO Astronomy and Space Science, Marsfield, NSW 2122 (Australia); Lockman, F. J. [National Radio Astronomy Observatory, Green Bank, WV 24944 (United States); Dickey, J. M. [School of Physics and Mathematics, University of Tasmania, TAS 7001 (Australia); Gaensler, B. M.; Green, A. J., E-mail: naomi.mcclure-griffiths@csiro.au [Sydney Institute for Astronomy, School of Physics, The University of Sydney, NSW 2006 (Australia)

2013-06-10

We describe a population of small, high-velocity, atomic hydrogen clouds, loops, and filaments found above and below the disk near the Galactic center. The objects have a mean radius of 15 pc, velocity widths of {approx}14 km s{sup -1}, and are observed at |z| heights up to 700 pc. The velocity distribution of the clouds shows no signature of Galactic rotation. We propose a scenario where the clouds are associated with an outflow from a central star-forming region at the Galactic center. We discuss the clouds as entrained material traveling at {approx}200 km s{sup -1} in a Galactic wind.

ATOMIC HYDROGEN IN A GALACTIC CENTER OUTFLOW

International Nuclear Information System (INIS)

McClure-Griffiths, N. M.; Green, J. A.; Hill, A. S.; Lockman, F. J.; Dickey, J. M.; Gaensler, B. M.; Green, A. J.

2013-01-01

We describe a population of small, high-velocity, atomic hydrogen clouds, loops, and filaments found above and below the disk near the Galactic center. The objects have a mean radius of 15 pc, velocity widths of ∼14 km s –1 , and are observed at |z| heights up to 700 pc. The velocity distribution of the clouds shows no signature of Galactic rotation. We propose a scenario where the clouds are associated with an outflow from a central star-forming region at the Galactic center. We discuss the clouds as entrained material traveling at ∼200 km s –1 in a Galactic wind.

Asymptotics of Rydberg states for the hydrogen atom

International Nuclear Information System (INIS)

Thomas, L.E.

1997-01-01

The asymptotics of Rydberg states, i.e., highly excited bound states of the hydrogen atom Hamiltonian, and various expectations involving these states are investigated. We show that suitable linear combinations of these states, appropriately rescaled and regarded as functions either in momentum space or configuration space, are highly concentrated on classical momentum space or configuration space Kepler orbits respectively, for large quantum numbers. Expectations of momentum space or configuration space functions with respect to these states are related to time-averages of these functions over Kepler orbits. (orig.)

Charge transfer between O6+ and atomic hydrogen

Science.gov (United States)

Wu, Y.; Stancil, P. C.; Liebermann, H. P.; Buenker, R. J.; Schultz, D. R.; Hui, Y.

2011-05-01

The charge exchange process has been found to play a dominant role in the production of X-rays and/or EUV photons observed in cometary and planetary atmospheres and from the heliosphere. Charge transfer cross sections, especially state-selective cross sections, are necessary parameters in simulations of X-ray emission. In the present work, charge transfer due to collisions of ground state O6+(1s2 1 S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling method (QMOCC). The multi-reference single- and double-excitation configuration interaction approach (MRDCI) has been applied to compute the adiabatic potential and nonadiabatic couplings, and the atomic basis sets used have been optimized with the method proposed previously to obtain precise potential data. Total and state-selective cross sections are calculated for energies between 10 meV/u and 10 keV/u. The QMOCC results are compared to available experimental and theoretical data as well as to new atomic-orbital close-coupling (AOCC) and classical trajectory Monte Carlo (CTMC) calculations. A recommended set of cross sections, based on the MOCC, AOCC, and CTMC calculations, is deduced which should aid in X-ray modeling studies.

Electromigration of hydrogen in zircaloy-2

International Nuclear Information System (INIS)

Parmeswaran, P.; Kamachi Mudali, U.; Raghunathan, V.S.; Govinda Rajan, K.

1989-01-01

Electromigration is a purification technique for removing interstitial impurities from metals like Zr, Ti and Nb. It uses an electric field to induce migration of atoms from one end to other. This paper describes an attempt to purify zircaloy-2 of its hydrogen content by this technique. Resistivity measurement has been used to evaluate the change in impurity concentration that occurs during the process. Results indicate the movement of hydrogen atoms towards the cathode end. The value of the effective charge number, Z * , calculated from the results confirms hydrogen migration to the cathode aided by a positive wind force. (author). 6 refs., 5 figs

Chapter 6 Quantum Mechanical Methods for Loss-Excitation and Loss-Ionization in Fast Ion-Atom Collisions

Science.gov (United States)

Belkic, Dzevad

Inelastic collisions between bare nuclei and hydrogen-like atomic systems are characterized by three main channels: electron capture, excitation, and ionization. Capture dominates at lower energies, whereas excitation and ionization prevail at higher impact energies. At intermediate energies and in the region of resonant scattering near the Massey peak, all three channels become competitive. For dressed or clothed nuclei possessing electrons, such as hydrogen-like ions, several additional channels open up, including electron loss (projectile ionization or stripping). The most important aspect of electron loss is the competition between one- and two-electron processes. Here, in a typical one-electron process, the projectile emits an electron, whereas the target final and initial states are the same. A prototype of double-electron transitions in loss processes is projectile ionization accompanied with an alteration of the target state. In such a two-electron process, the target could be excited or ionized. The relative importance of these loss channels with single- and double-electron transitions involving collisions of dressed projectiles with atomic systems is also strongly dependent on the value of the impact energy. Moreover, impact energies determine which theoretical method is likely to be more appropriate to use for predictions of cross sections. At low energies, an expansion of total scattering wave functions in terms of molecular orbitals is adequate. This is because the projectile spends considerable time in the vicinity of the target, and as a result, a compound system comprised of the projectile and the target can be formed in a metastable molecular state which is prone to decay. At high energies, a perturbation series expansion is more appropriate in terms of powers of interaction potentials. In the intermediate energy region, atomic orbitals are often used with success while expanding the total scattering wave functions. The present work is focused on

Comment on "Theoretical study of the dynamics of atomic hydrogen adsorbed on graphene multilayers"

Science.gov (United States)

Bonfanti, Matteo; Martinazzo, Rocco

2018-03-01

It is shown that the theoretical prediction of a transient magnetization in bilayer and multilayer graphene (M. Moaied et al., Phys. Rev. B 91, 155419 (2015), 10.1103/PhysRevB.91.155419) relies on an incorrect physical scenario for adsorption, namely, one in which H atoms adsorb barrierless on graphitic substrates and form a random adsorption pattern of monomers. Rather, according to experimental evidence, H atom sticking is an activated process, and adsorption is under kinetic control, largely ruled by a preferential sticking mechanism that leads to stable, nonmagnetic dimers at all but the smallest coverages (Theory and experiments are reconciled by reconsidering the hydrogen atom adsorption energetics with the help of van der Waals-inclusive density functional calculations that properly account for the basis set superposition error. It is shown that today van der Waals-density functional theory predicts a shallow physisorption well that nicely agrees with available experimental data and suggests that the hydrogen atom adsorption barrier in graphene is 180 meV high, within ˜5 meV accuracy.

Rotating disk atomization of Gd and Gd-Y for hydrogen liquefaction via magnetocaloric cooling

Energy Technology Data Exchange (ETDEWEB)

Slinger, Tyler [Iowa State Univ., Ames, IA (United States)

2016-12-17

In order to enable liquid hydrogen fuel cell technologies for vehicles the cost of hydrogen liquefaction should be lowered. The current method of hydrogen liquefaction is the Claude cycle that has a figure of merit (FOM) of 0.3-0.35. New magnetocaloric hydrogen liquefaction devices have been proposed with a FOM>0.5, which is a significant improvement. A significant hurdle to realizing these devices is the synthesis of spherical rare earth based alloy powders of 200μm in diameter. In this study a centrifugal atomization method that used a rotating disk with a rotating oil quench bath was developed to make gadolinium and gadolinium-yttrium spheres. The composition of the spherical powders included pure Gd and Gd_0.91Y_0.09. The effect of atomization parameters, such as superheat, melt properties, disk shape, disk speed, and melt system materials and design, were investigated on the size distribution and morphology of the resulting spheres. The carbon, nitrogen, and oxygen impurity levels also were analyzed and compared with the magnetic performance of the alloys. The magnetic properties of the charge material as well as the resulting powders were measured using a vibrating sample magnetometer. The saturation magnetization and Curie temperature were the target properties for the resulting spheres. These values were compared with measurements taken on the charge material in order to investigate the effect of atomization processing on the alloys.

To problem of experimental determination of parameters of μ-atom charge-exchange process of hydrogen isotopes on He nuclei

International Nuclear Information System (INIS)

Bystritskij, V.M.; Stolupin, V.A.

1990-01-01

The kinetics of μ-atomic and μ-molecular processes occuring in hydrogen isotopes-helium mixture is observed. The expressions are obtained to determine the parameters of a process of the muon transition from hydrogen isotope μ atoms to helium nuclei with the use of different experimental methods. 18 refs.; 3 figs.; 1 tab

Excitation of the hydrogen atom by fast-electron impact in the presence of a laser field

International Nuclear Information System (INIS)

Bhattacharya, M.; Sinha, C.; Sil, N.C.

1991-01-01

An approach has been developed to study the excitation of a ground-state H atom to the n=2 level under the simultaneous action of fast-electron impact and a monochromatic, linearly polarized, homogeneous laser beam. The laser frequency is assumed to be low (soft-photon limit) so that a stationary-state perturbation theory can be applied as is done in the adiabatic theory. An elegant method has been developed in the present work to construct the dressed excited-state wave functions of the H atom using first-order perturbation theory in the parabolic coordinate representation. By virtue of this method, the problem arising due to the degeneracy of the excited states of the H atom has been successfully overcome. The main advantage of the present approach is that the dressed wave function has been obtained in terms of a finite number of Laguerre polynomials instead of an infinite summation occurring in the usual perturbative treatment. The amplitude for direct excitation (without exchange) has been obtained in closed form. Numerical results for differential cross sections are presented for individual excitations to different Stark manifolds as well as for excitations to the n=2 level at high energies (100 and 200 eV) and for field directions both parallel and perpendicular to the incident electron momentum. Extension to a higher order of perturbation is also possible in the present approach for the construction of the dressed states, and the electron-exchange effect can also be taken into account without any further approximation

Excitation of the hydrogen atom by fast-electron impact in the presence of a laser field

Science.gov (United States)

Bhattacharya, Manabesh; Sinha, C.; Sil, N. C.

1991-08-01

An approach has been developed to study the excitation of a ground-state H atom to the n=2 level under the simultaneous action of fast-electron impact and a monochromatic, linearly polarized, homogeneous laser beam. The laser frequency is assumed to be low (soft-photon limit) so that a stationary-state perturbation theory can be applied as is done in the adiabatic theory. An elegant method has been developed in the present work to construct the dressed excited-state wave functions of the H atom using first-order perturbation theory in the parabolic coordinate representation. By virtue of this method, the problem arising due to the degeneracy of the excited states of the H atom has been successfully overcome. The main advantage of the present approach is that the dressed wave function has been obtained in terms of a finite number of Laguerre polynomials instead of an infinite summation occurring in the usual perturbative treatment. The amplitude for direct excitation (without exchange) has been obtained in closed form. Numerical results for differential cross sections are presented for individual excitations to different Stark manifolds as well as for excitations to the n=2 level at high energies (100 and 200 eV) and for field directions both parallel and perpendicular to the incident electron momentum. Extension to a higher order of perturbation is also possible in the present approach for the construction of the dressed states, and the electron-exchange effect can also be taken into account without any further approximation.

Exact perturbation theory of multiphoton processes at high intensities. [Schroedinger equation, perturbation theory, matrix

Energy Technology Data Exchange (ETDEWEB)

Faisal, F H.M. [Bielefeld Univ. (Germany, F.R.). Fakultaet fuer Physik

1976-06-11

In this work the perturbation theory for multiphoton processes at high intensities is investigated and it is described an analytical method of summing the perturbation series to extract the contribution from all terms that give rise to the absorption of N photons by an atomic system. The method is first applied to the solution of a simple model problem and the result is confirmed by direct integration of the model Schroedinger equation. The usual lowest (nonvanishing)-order perturbation-theoretical calculation is also carried out for this model to demonstrate explicitly that the full result correctly reproduces that of the lowest-order theory in the limit of low intensity. The method is then extended to the case of an atomic system with well-developed spectrum (e.g. H atom) and the N-photon T-matrix is derived in terms of a ''photon matrix'' asub(N), for which a three-term recurrence relation is established. Next, from the vantage point of the general result obtained here, A probe is made into the nature of several approximate nonperturbative solutions that have appeared in the literature in the past. It is shown here that their applicability is severely restricted by the requirement of the essential spectral degeneracy of the atomic system. Finally, appendix A outlines a prescription of computing the photon matrix asub(N), which (as in the usual lowest-order perturbation-theoretical calculation)requires a knowledge of the eigenfunctions and eigenvalues of the atomic Hamiltonian only.

What we do and not know about electron impact excitation of atomic hydrogen

International Nuclear Information System (INIS)

Callaway, J.

1982-11-01

The present state of knowledge derived from both theoretical and experimental information on electron impact excitation of atomic hydrogen is briefly reviewed. Suggestions are made for further calculations and for additional experiments. (author)

Precision spectroscopy of the 2S-4P{sub 1/2} transition in atomic hydrogen on a cold thermal beam of optically excited 2S atoms

Energy Technology Data Exchange (ETDEWEB)

Beyer, Axel; Kolachevsky, Nikolai; Alnis, Janis; Yost, Dylan C.; Matveev, Arthur; Parthey, Christian G.; Pohl, Randolf; Udem, Thomas [Max-Planck-Institut fuer Quantenoptik, 85748 Garching (Germany); Khabarova, Ksenia [FSUE ' VNIIFTRI' , 141570 Moscow (Russian Federation); Haensch, Theodor W. [Max-Planck-Institut fuer Quantenoptik, 85748 Garching (Germany); Ludwig-Maximilians-Universitaet, 80799 Muenchen (Germany)

2013-07-01

The 'proton size puzzle', i.e. the discrepancy between the values for the proton r.m.s. charge radius deduced from precision spectroscopy of atomic hydrogen and electron-proton-scattering on one side and the value deduced from muonic hydrogen spectroscopy on the other side, has been persisting for more than two years now. Although huge efforts have been put into trying to resolve this discrepancy from experimental and theoretical side, no convincing argument could be found so far. In this talk, we report on a unique precision spectroscopy experiment on atomic hydrogen, which is aiming to bring some light to the hydrogen part of the puzzle: In contrast to any previous high resolution experiment probing a transition frequency between the meta-stable 2S state and a higher lying nL state (n=3,4,6,8,12, L=S,P,D), our measurement of the 2S-4P{sub 1/2} transition frequency is the first experiment being performed on a cold thermal beam of hydrogen atoms optically excited to the 2S state. We will discuss how this helps to efficiently suppresses leading systematic effects of previous measurements and present the preliminary results we obtained so far.

A generalization of the Z expansion scheme in atoms

International Nuclear Information System (INIS)

Horak, Z.J.; Maca, F.

1979-01-01

A perturbation theory is described which recovers the ordinary Z-expansion scheme in the limit Z → infinity. It introduces nonintegral principal quantum numbers and orbitals of analytical form which is more realistic than hydrogen-like orbitals. (Auth.)

Permeability of two-dimensional graphene and hexagonal-boron nitride to hydrogen atom

Science.gov (United States)

Gupta, Varun; Kumar, Ankit; Ray, Nirat

2018-05-01

The permeability of atomic hydrogen in monolayer hexagonal Boron Nitride(h-BN) and graphene has been studied using first-principles density functional theory based simulations. For the specific cases of physisorption and chemisoroption, barrier heights are calculated using the nudged elastic band approach. We find that the barrier potential for physisorption through the ring is lower for graphene than h-BN. In the case of chemisorption, where the H atom passes through by making bonds with the atoms in the ring, the barrier potential for the graphene was found to be higher than that of h-BN. We conclude that the penetration of H atom with notable kinetic energy (graphene as compared to h-BN. Whereas through chemisorption, lower kinetic energy (>3eV) H-atoms have a higher chance to penetrate through h-BN than graphene.

Learning about Regiochemistry from a Hydrogen-Atom Abstraction Reaction in Water

Science.gov (United States)

Sears-Dundes, Christopher; Huon, Yoeup; Hotz, Richard P.; Pinhas, Allan R.

2011-01-01

An experiment has been developed in which the hydrogen-atom abstraction and the coupling of propionitrile, using Fenton's reagent, are investigated. Students learn about the regiochemistry of radical formation, the stereochemistry of product formation, and the interpretation of GC-MS data, in a safe reaction that can be easily completed in one…

On the proton exchange contribution to electron-hydrogen atom elastic scattering

International Nuclear Information System (INIS)

Mignaco, J.A.; Tort, A.C.

1979-05-01

It is shown that the exchange contribution to the electron-proton potential Born term in elastic electron-hydrogen atom scattering arises as the non relativistic limit from the exchange of a proton between the two participant electrons - calculated from quantum electrodynamics including properly bound states (as solution of Bethe - Salpeter equation). (Author) [pt

Application of the Ursell-Mayer method in the theory of spin-polarized atomic hydrogen

International Nuclear Information System (INIS)

Kilic, S.; Radelja, T.

1981-01-01

Employing the Ursell-Mayer method and Ljolje semi-free gas model analytic relations describing ground state properties (energy, pressure, compressibility, sound velocity, radial distribution function and one-particle density matrix) of spin-polarized atomic hydrogen were derived. The expressions are valid up to density 2 10 26 atoms/m 3 . It was found out that at density of 2 10 26 atoms/m 3 the condensation of particle in momentum space is 88% (at absolute zero). (orig.)

The signature of the first stars in atomic hydrogen at redshift 20.

Science.gov (United States)

Visbal, Eli; Barkana, Rennan; Fialkov, Anastasia; Tseliakhovich, Dmitriy; Hirata, Christopher M

2012-07-05

Dark and baryonic matter moved at different velocities in the early Universe, which strongly suppressed star formation in some regions. This was estimated to imprint a large-scale fluctuation signal of about two millikelvin in the 21-centimetre spectral line of atomic hydrogen associated with stars at a redshift of 20, although this estimate ignored the critical contribution of gas heating due to X-rays and major enhancements of the suppression. A large velocity difference reduces the abundance of haloes and requires the first stars to form in haloes of about a million solar masses, substantially greater than previously expected. Here we report a simulation of the distribution of the first stars at redshift 20 (cosmic age of around 180 million years), incorporating all these ingredients within a 400-megaparsec box. We find that the 21-centimetre hydrogen signature of these stars is an enhanced (ten millikelvin) fluctuation signal on the hundred-megaparsec scale, characterized by a flat power spectrum with prominent baryon acoustic oscillations. The required sensitivity to see this signal is achievable with an integration time of a thousand hours with an instrument like the Murchison Wide-field Array or the Low Frequency Array but designed to operate in the range of 50-100 megahertz.

Microwave ionization of hydrogen atoms below the classical chaos border

Energy Technology Data Exchange (ETDEWEB)

Bluemel, R; Smilansky, U

1987-01-01

We present and discuss theoretical predictions for the occurrence of radiation induced ionization of hydrogen atoms in fields which are well below the classical ionization threshold. Strong ionization occurs due to enhanced population of a band of high n states which ionize easily. This enhancement happens only at rather narrowly defined field values, and is explained in terms of avoided crossings of Floquet levels.

Investigation of confined hydrogen atom in spherical cavity, using B-splines basis set

Directory of Open Access Journals (Sweden)

M Barezi

2011-03-01

Full Text Available Studying confined quantum systems (CQS is very important in nano technology. One of the basic CQS is a hydrogen atom confined in spherical cavity. In this article, eigenenergies and eigenfunctions of hydrogen atom in spherical cavity are calculated, using linear variational method. B-splines are used as basis functions, which can easily construct the trial wave functions with appropriate boundary conditions. The main characteristics of B-spline are its high localization and its flexibility. Besides, these functions have numerical stability and are able to spend high volume of calculation with good accuracy. The energy levels as function of cavity radius are analyzed. To check the validity and efficiency of the proposed method, extensive convergence test of eigenenergies in different cavity sizes has been carried out.

The general expression for the transition amplitude of two-photon ionization of atomic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Karule, E [Institute of Atomic Physics and Spectroscopy, University of Latvia, Raina Boulevard 19, Riga, LV-1586 (Latvia); Moine, B [Universite Paris Sud, 91405 Orsay Cedex (France)

2003-05-28

Two-photon ionization of atomic hydrogen with an excess photon is revisited. The non-relativistic dipole approximation and Coulomb Green function (CGF) formalism are applied. Using the CGF Sturmian expansion straightforwardly, one gets the radial transition amplitude in the form of an infinite sum over Gauss hypergeometric functions which are polynomials. It is convergent if all intermediate states are in the discrete spectrum. In the case of two-photon ionization with an excess photon, when photoionization is also possible, intermediate states are in the continuum. We performed the explicit summation over intermediate states and got a simple general expression for the radial transition amplitude in the form of a finite sum over Appell hypergeometric functions, which are not polynomials. An Appell function may be expressed as an infinite sum over Gauss functions. In the case of ionization by an excess photon, Gauss functions are transformed to give a convergent radial transition amplitude for the whole region. The generalized cross sections for two-photon above-threshold ionization of atomic hydrogen in the ground state and excited states calculated by us agree very well with results of previous calculations. Generalized cross sections for two-photon ionization of positronium in the ground state are obtained by scaling those for atomic hydrogen.

Muon transfer from muonic hydrogen to heavier atoms; Transfert de charge muonique

Energy Technology Data Exchange (ETDEWEB)

Dupays, A

2004-06-01

This work concerns muon transfer from muonic hydrogen to heavier atoms. Recently, a method of measurement of the hyperfine structure of ground-state muonic hydrogen based on the collision energy dependence of the muon transfer rate to oxygen has been proposed. This proposal is based on measurements which where performed at the Paul Scherrer Institute in the early nineties which indicate that the muon transfer from muonic hydrogen to oxygen increases by a factor of 4 going from thermal to 0.12 eV energies. The motivation of our calculations was to confirm this behaviour. To study the collision energy dependence of the muon transfer rate, we have used a time-independent close-coupling method. We have set up an hyperspherical elliptic formalism valid for nonzero total angular momentum which allows accurate computations of state-to-state reactive and charge exchange processes. We have applied this formalism to muon-transfer process to oxygen and neon. The comparison with experimental results is in both cases excellent. Finally, the neon transfer rate dependence with energy suggests to use neon instead of oxygen to perform a measurement of the hyperfine structure of muonic hydrogen. The results of accurate calculations of the muon transfer rates from muonic protium and deuterium atoms to nitrogen, oxygen and neon are also reported. Very good agreement with measured rates is obtained and for the three systems, the isotopic effect is perfectly reproduced. (author)

Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomers.

Science.gov (United States)

Reva, Igor; Nowak, Maciej J; Lapinski, Leszek; Fausto, Rui

2015-02-21

Photoisomerization reactions of monomeric thiophenol have been investigated for the compound isolated in low-temperature argon matrices. The initial thiophenol population consists exclusively of the thermodynamically most stable thiol form. Phototransformations were induced by irradiation of the matrices with narrowband tunable UV light. Irradiation at λ > 290 nm did not induce any changes in isolated thiophenol molecules. Upon irradiation at 290-285 nm, the initial thiol form of thiophenol converted into its thione isomer, cyclohexa-2,4-diene-1-thione. This conversion occurs by transfer of an H atom from the SH group to a carbon atom at the ortho position of the ring. Subsequent irradiation at longer wavelengths (300-427 nm) demonstrated that this UV-induced hydrogen-atom transfer is photoreversible. Moreover, upon irradiation at 400-425 nm, the cyclohexa-2,4-diene-1-thione product converts, by transfer of a hydrogen atom from the ortho to para position, into another thione isomer, cyclohexa-2,5-diene-1-thione. The latter thione isomer is also photoreactive and is consumed if irradiated at λ atom-transfer isomerization reactions dominate the unimolecular photochemistry of thiophenol confined in a solid argon matrix. A set of low-intensity infrared bands, observed in the spectra of UV irradiated thiophenol, indicates the presence of a phenylthiyl radical with an H- atom detached from the SH group. Alongside the H-atom-transfer and H-atom-detachment processes, the ring-opening photoreaction occurred in cyclohexa-2,4-diene-1-thione by the cleavage of the C-C bond at the alpha position with respect to the thiocarbonyl C[double bond, length as m-dash]S group. The resulting open-ring conjugated thioketene adopts several isomeric forms, differing by orientations around single and double bonds. The species photogenerated upon UV irradiation of thiophenol were identified by comparison of their experimental infrared spectra with the spectra theoretically calculated for

The influence hydrogen atom addition has on charge switching during motion of the metal atom in endohedral Ca@C60H4 isomers

Science.gov (United States)

Raggi, G.; Besley, E.; Stace, A. J.

2016-01-01

Density functional theory has been applied in a study of charge transfer between an endohedral calcium atom and the fullerene cage in Ca@C60H4 and [Ca@C60H4]+ isomers. Previous calculations on Ca@C60 have shown that the motion of calcium within a fullerene is accompanied by large changes in electron density on the carbon cage. Based on this observation, it has been proposed that a tethered endohedral fullerene might form the bases of a nanoswitch. Through the addition of hydrogen atoms to one hemisphere of the cage it is shown that, when compared with Ca@C60, asymmetric and significantly reduced energy barriers can be generated with respect to motion of the calcium atom. It is proposed that hydrogen atom addition to a fullerene might offer a route for creating a bi-stable nanoswitch that can be fine-tuned through the selection of an appropriate isomer and number of atoms attached to the cage of an endohedral fullerene. This article is part of the themed issue ‘Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene’. PMID:27501967

The electromagnetic virtual cloud of the ground-state hydrogen atom - a quantum field theory approach

International Nuclear Information System (INIS)

Radozycki, T.

1990-01-01

The properties of the virtual cloud around the hydrogen atom in the ground state are studied with the use of quantum field theory methods. The relativistic expression for the electromagnetic energy density around the atom, with the electron spin taken into account, is obtained. The distribution of the angular momentum contained in the cloud and the self-interaction kernel for the electrons bound in atom are also investigated. (author)

Study of the anti-hydrogen atom and ion formation in the collisions antiproton-positronium

International Nuclear Information System (INIS)

Comini, Pauline

2014-01-01

The future CERN experiment called GBAR intends to measure the gravitational acceleration of antimatter on Earth using cold (neV) anti-hydrogen atoms undergoing a free fall. The experiment scheme first needs to cool anti-hydrogen positive ions, obtained thanks to two consecutive reactions occurring when an antiproton beam collides with a dense positronium cloud.The present thesis studies these two reactions in order to optimise the production of the anti-ions. The total cross sections of both reactions have been computed in the framework of a perturbation theory model (Continuum Distorted Wave - Final State), in the range 0 to 30 keV antiproton kinetic energy; several excited states of positronium have been investigated. These cross sections have then been integrated to a simulation of the interaction zone where antiprotons collide with positronium; the aim is to find the optimal experimental parameters for GBAR. The results suggest that the 2P, 3D or, to a lower extend, 1S states of positronium should be used, respectively with 2, less than 1 or 6 keV antiprotons. The importance of using short pulses of antiprotons has been underlined; the positronium will have to be confined in a tube of 20 mm length and 1 mm diameter. In the prospect of exciting the 1S-3D two-photon transition in positronium at 410 nm, a pulsed laser system had already been designed. It consists in the frequency doubling of an 820 nm pulsed titanium-sapphire laser. The last part of the thesis has been dedicated to the realisation of this laser system, which delivers short pulses (9 ns) of 4 mJ energy at 820 nm. (author) [fr

Approximate motion integral for a hydrogen atom in a magnetic field

International Nuclear Information System (INIS)

Solov'ev, E.A.

1981-01-01

It is shown that the Schroedinger equation for highly excited states of a hydrogen atom in a magnetic field H allows a separation of variables (within an accuracy of H 4 ) in elliptical-cylindrical coordinates on a sphere in a four-dimensional momentum space. A new classification and approximate selection rules are proposed for these states

Positron scattering by atomic hydrogen at intermediate energies

International Nuclear Information System (INIS)

Higgins, K.; Burke, P.G.; Walters, H.R.J.

1990-01-01

Results of an accurate calculation based upon the intermediate energy R-matrix theory are reported for elastic scattering of positrons by atomic hydrogen. T-matrix elements for both low and intermediate energy scattering are evaluated for the S e , P o , D e and F o partial wave symmetries. The low-energy elastic phaseshifts are found to be in good agreement with previous accurate variational calculations. Using an optical potential approach to include the effect of the higher partial waves, elastic and total cross sections are presented for energies ranging from near threshold to 3.7 Rydbergs. (author)

Fourth-order terms in the diagrammatic perturbation expansion for the electronic energy of atoms and molecules

International Nuclear Information System (INIS)

Wilson, S.; Silver, D.M.

1979-01-01

Third-order diagrammatic perturbation theory provides a simple and accurate description of the electronic structure of atoms and molecules beyond that afforded by independent electron models. The largest corrections to such treatments, the fourth-order terms, are presented and discussed. All of the diagrams, which arise when the closed-shell Hartree--Fock function is utilized as a reference function, are given through fourth order. 18 references

Plasma screening effects on the energies of hydrogen atom under the influence of velocity-dependent potential

International Nuclear Information System (INIS)

Bahar, M. K.

2014-01-01

In order to examine the plasma screening and velocity-dependent potential effects on the hydrogen atom, the Schrödinger equation including a more general exponential cosine screened Coulomb and velocity-dependent potential is solved numerically in the framework asymptotic iteration method. The more general exponential cosine screened Coulomb potential is used to model Debye and quantum plasma for the specific values of the parameters in its structure. However, in order to examine effects of velocity-dependent potential on energy values of hydrogen atom in Debye and quantum plasma, the isotropic form factor of velocity-dependent potential is given as harmonic oscillator type, ρ(r)=ρ o r 2 . Then, the energies of s and p states are calculated numerically without any approximation. In order to investigate thoroughly plasma screening effects and contribution of velocity-dependent potential on energy values of hydrogen atom, the corresponding calculations are carried out by using different values of parameters of more general exponential cosine screened Coulomb potential and isotropic dependence, results of which are discussed

Atom Probe Analysis of Ex Situ Gas-Charged Stable Hydrides.

Science.gov (United States)

Haley, Daniel; Bagot, Paul A J; Moody, Michael P

2017-04-01

In this work, we report on the atom probe tomography analysis of two metallic hydrides formed by pressurized charging using an ex situ hydrogen charging cell, in the pressure range of 200-500 kPa (2-5 bar). Specifically we report on the deuterium charging of Pd/Rh and V systems. Using this ex situ system, we demonstrate the successful loading and subsequent atom probe analysis of deuterium within a Pd/Rh alloy, and demonstrate that deuterium is likely present within the oxide-metal interface of a native oxide formed on vanadium. Through these experiments, we demonstrate the feasibility of ex situ hydrogen analysis for hydrides via atom probe tomography, and thus a practical route to three-dimensional imaging of hydrogen in hydrides at the atomic scale.

Palladium-Catalyzed Atom-Transfer Radical Cyclization at Remote Unactivated C(sp3 )-H Sites: Hydrogen-Atom Transfer of Hybrid Vinyl Palladium Radical Intermediates.

Science.gov (United States)

Ratushnyy, Maxim; Parasram, Marvin; Wang, Yang; Gevorgyan, Vladimir

2018-03-01

A novel mild, visible-light-induced palladium-catalyzed hydrogen atom translocation/atom-transfer radical cyclization (HAT/ATRC) cascade has been developed. This protocol involves a 1,5-HAT process of previously unknown hybrid vinyl palladium radical intermediates, thus leading to iodomethyl carbo- and heterocyclic structures. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Plasma out of thermodynamical equilibrium: influence of the plasma environment on atomic structure and collisional cross sections

International Nuclear Information System (INIS)

Belkhiri, Madeny

2014-01-01

In hot dense plasmas, the free-electron and ion spatial distribution may strongly affect the atomic structure. To account for such effects we have implemented a potential correction based on the uniform electron gas model and on a Thomas-Fermi Approach in the Flexible Atomic Code (FAC). This code has been applied to obtain energies, wave-functions and radiative rates modified by the plasma environment. In hydrogen-like ions, these numerical results have been successfully compared to an analytical calculation based on first-order perturbation theory. In the case of multi-electron ions, we observe level crossings in agreement with another recent model calculation. Various methods for the collision cross-section calculations are reviewed. The influence of plasma environment on these cross-sections is analyzed in detail. Some analytical expressions are proposed for hydrogen-like ions in the limit where Born or Lotz approximations apply and are compared to the numerical results from the FAC code. Finally, from this work, we study the influence of the plasma environment on our collisional-radiative model so-called Foch. Because of this environment, the mean charge state of the ions increases. The line shift is observed on the bound-bound emission spectra. A good agreement is found between our work and experimental data on a Titanium plasma. (author) [fr

Charge exchange of excited mesic atoms of hydrogen isotopes in triple collisions with molecules

International Nuclear Information System (INIS)

Men'shikov, L.I.; Ponomarev, L.I.

1985-01-01

At high densities of deuterium-tritium mixture the probability for the occurrence of the isotope-exchange reaction (dμ)/sub n/+t → d+(tμ)/sub n/ from the excited states of n mesic atoms of deuterium is high in the triple collisions of mesic atoms with the molecules of hydrogen isotopes. This reaction should be taken into account in describing the kinetics of muon catalysis

Partial molar volumes of hydrogen and deuterium in niobium and vanadium

International Nuclear Information System (INIS)

Herro, H.M.

1979-01-01

Lattice dilation studies and direct pressure experiments gave comparable values for the partial molar volumes of hydrogen and deuterium in niobium and vanadium. Small isotope effects in the partial molar volume of hydrogen were measured in both metals by the differential isotope method. Hydrogen had a larger partial molar volume than deuterium in niobium, but the reverse was true in vanadium. The isotope effect measured in niobium can be represented as being due to the larger amplitude of vibration of the hydrogen atom than the deuterium atom in the metal lattice. Since hydrogen has a larger mean displacement from the equilibrium position than does deuterium, the average force hydrogen exerts on the metal atoms is greater than the force deuterium exerts. The isotope effect in vanadium is likely a result of anharmonic effects in the lattice and local vibrational modes

Three-dimensional atomic mapping of hydrogenated polymorphous silicon solar cells

Energy Technology Data Exchange (ETDEWEB)

Chen, Wanghua, E-mail: wanghua.chen@polytechnique.edu; Roca i Cabarrocas, Pere [LPICM, CNRS, Ecole Polytechnique, Université Paris-Saclay, 91128 Palaiseau (France); Pareige, Philippe [GPM, CNRS, Université et INSA de Rouen, Normandie Université, 76801 Saint Etienne du Rouvray (France)

2016-06-20

Hydrogenated polymorphous silicon (pm-Si:H) is a nanostructured material consisting of silicon nanocrystals embedded in an amorphous silicon matrix. Its use as the intrinsic layer in thin film p-i-n solar cells has led to good cell properties in terms of stability and efficiency. Here, we have been able to assess directly the concentration and distribution of nanocrystals and impurities (dopants) in p-i-n solar cells, by using femtosecond laser-assisted atom probe tomography (APT). An effective sample preparation method for APT characterization is developed. Based on the difference in atomic density between hydrogenated amorphous and crystalline silicon, we are able to distinguish the nanocrystals from the amorphous matrix by using APT. Moreover, thanks to the three-dimensional reconstruction, we demonstrate that Si nanocrystals are homogeneously distributed in the entire intrinsic layer of the solar cell. The influence of the process pressure on the incorporation of nanocrystals and their distribution is also investigated. Thanks to APT we could determine crystalline fractions as low as 4.2% in the pm-Si:H films, which is very difficult to determine by standard techniques, such as X-ray diffraction, Raman spectroscopy, and spectroscopic ellipsometry. Moreover, we also demonstrate a sharp p/i interface in our solar cells.

Electronic perturbation investigations into excitation and ionization in the millisecond pulsed glow discharge plasma

International Nuclear Information System (INIS)

Li Lei; Robertson-Honecker, Jennifer; Vaghela, Vishal; King, Fred L.

2006-01-01

This study employed a power perturbation method to examine the energy transfer processes at different locations within the afterpeak regime of a millisecond pulsed glow discharge plasma. Brief power perturbation pulses were applied during the afterpeak regime altering the environment of the collapsing plasma. Responses of several transitions to the power perturbations were measured via atomic emission and absorption spectroscopic methods at various distances from the surface of the cathode. The experimental data provide further insight into the energy transfer processes that occur at different spatial locations and in different temporal regimes of these pulsed glow discharge plasmas. Although the enhancement of the large population of metastable argon atoms is again confirmed, the mechanism responsible for this enhancement remains unclear. The most likely possibility involves some form of ion-electron recombination followed by radiative relaxation of the resulting species. The metastable argon atoms subsequently Penning ionize sputtered copper atoms which then appear to undergo a similar ion-electron recombination process yielding variable degrees of observable afterpeak emission for copper atom transitions. The kinetic information of these processes was approximated from the corresponding relaxation time. The electron thermalization time allowing for recombination with ions was found to be ∼25 μs after the discharge power termination

Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

Energy Technology Data Exchange (ETDEWEB)

Zhou, Yun, E-mail: zhou.yun.x@gmail.com; Pollak, Eli, E-mail: eli.pollak@weizmann.ac.il [Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovot (Israel); Miret-Artés, Salvador, E-mail: s.miret@iff.csic.es [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain)

2014-01-14

A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to “soft” corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

Second order classical perturbation theory for atom surface scattering: analysis of asymmetry in the angular distribution.

Science.gov (United States)

Zhou, Yun; Pollak, Eli; Miret-Artés, Salvador

2014-01-14

A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to "soft" corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

The fundamentals of atomic and molecular physics

CERN Document Server

Brooks, Robert L

2013-01-01

The Fundamentals of Atomic and Molecular Physics is intended as an introduction to the field for advanced undergraduates who have taken quantum mechanics. Each chapter builds upon the previous, using the same tools and methods throughout. As the students progress through the book, their ability to use these tools will steadily increase, along with their confidence in their efficacy. The book treats the two-electron atom as the simplest example of the many-electron atom—as opposed to using techniques that are not applicable to many-electron atoms—so that it is unnecessary to develop additional equations when turning to multielectron atoms, such as carbon. External fields are treated using both perturbation theory and direct diagonalization and spontaneous emission is developed from first principles. Only diatomic molecules are considered with the hydrogen molecular ion and neutral molecule treated in some detail. This comprehensive coverage of the quantum mechanics of complex atoms and simple diatomic mole...

Some applications of perturbed angular correlation and positron annihilation to materials science

International Nuclear Information System (INIS)

Shengyun Zhu; Yongnan Zheng; Yi Zuo; Dongmei Zhou; Daqing Yuan; Anli Li; Zhiqiang Wang; Xiao Duan; Meng Liu; Yong Li

2007-01-01

The perturbed angular correlation (PAC) and positron annihilation spectroscopy (PAS) that use nuclear probes to characterize the micro-structure of materials are briefly described. Three examples are given to show their partial applications. The first example is the study of radiation damage in Si irradiated by fast neutrons of 1.45 x 10 20 cm -2 and 178 W heavy ions of 5 x 10 11 cm -2 , respectively. The PAC and PAS measurements all show that the monovacancy-oxygen complexes and divacancies and divacancy-oxygen complexes were produced by the irradiations, and quadrivacancies and quadrivacancy-oxygen complexes were formed during thermal annealing. The second one illustrates the investigation of high T c superconductivity for YBaCuO. The PAS experiment found the charge transfer during the superconducting transition. The PAC measurement suggested a transition of two- to one-dimensional Cu-O-Cu chain structure at the superconducting transition temperature T c , which favors the charge transfer from the CuO layer to the CuO chain in YBaCuO. The third one is for investigating the hydrogen behavior in Pd 0.75 Ag 0.25 -H x as functions of temperature from 77 K to RT and hydrogen concentration (x) from 0 to 35 at.%. The PAC and PAS results exhibit that hydrogen atoms are congregated into the hydrogen bubbles and the hydrogen bubbles grow with the increasing of the hydrogen concentration in Pd 0.75 Ag 0.25 -H x . These examples demonstrate that the PAC and PAS techniques are very sensitive and powerful tools in materials science, which can well investigate phenomena in materials on atomic scale. (author)

Microstructure and high-temperature tribological properties of Si-doped hydrogenated diamond-like carbon films

Science.gov (United States)

Zhang, Teng Fei; Wan, Zhi Xin; Ding, Ji Cheng; Zhang, Shihong; Wang, Qi Min; Kim, Kwang Ho

2018-03-01

Si-doped DLC films have attracted great attention for use in tribological applications. However, their high-temperature tribological properties remain less investigated, especially in harsh oxidative working conditions. In this study, Si-doped hydrogenated DLC films with various Si content were synthesized and the effects of the addition of Si on the microstructural, mechanical and high-temperature tribological properties of the films were investigated. The results indicate that Si doping leads to an obvious increase in the sp3/sp2 ratio of DLC films, likely due to the silicon atoms preferentially substitute the sp2-hybridized carbon atoms and augment the number of sp3 sites. With Si doping, the mechanical properties, including hardness and adhesion strength, were improved, while the residual stress of the DLC films was reduced. The addition of Si leads to higher thermal and mechanical stability of DLC films because the Si atoms inhibit the graphitization of the films at an elevated temperature. Better high-temperature tribological properties of the Si-DLC films under oxidative conditions were observed, which can be attributed to the enhanced thermal stability and formation of a Si-containing lubricant layer on the surfaces of the wear tracks. The nano-wear resistance of the DLC films was also improved by Si doping.

Precise optical Lamb shift measurements in atomic hydrogen

International Nuclear Information System (INIS)

Weitz, M.; Schmidt-Kaler, F.; Haensch, T.W.

1992-01-01

The 1S ground-state Lamb shift in atomic hydrogen has been measured to an accuracy of 1.3 parts in 10 5 by directly comparing the optical frequencies of the 1S-2S and the 2S-4S,4D two-photon transitions. The result, 8172.82(11) MHz, agrees with the theoretical prediction of 8172.94(9) MHz and rivals measurements of the 2S Lamb shift as a test of QED for a bound system. A comparison of the 2S-4S and 2S-4D intervals yields a 4S Lamb shift of 131.66(4) MHz

Hydrogen atom in momentum space with a minimal length

International Nuclear Information System (INIS)

Bouaziz, Djamil; Ferkous, Nourredine

2010-01-01

A momentum representation treatment of the hydrogen atom problem with a generalized uncertainty relation, which leads to a minimal length ΔX imin =(ℎ/2π)√(3β+β ' ), is presented. We show that the distance squared operator can be factorized in the case β ' =2β. We analytically solve the s-wave bound-state equation. The leading correction to the energy spectrum caused by the minimal length depends on √(β). An upper bound for the minimal length is found to be about 10 -9 fm.

Calculation of nuclear-spin-relaxation rate for spin-polarized atomic hydrogen

International Nuclear Information System (INIS)

Ahn, R.M.C.; Eijnde, J.P.H.W.V.; Verhaar, B.J.

1983-01-01

Approximations introduced in previous calculations of spin relaxation for spin-polarized atomic hydrogen are investigated by carrying out a more exact coupled-channel calculation. With the exception of the high-temperature approximation, the approximations turn out to be justified up to the 10 -3 level of accuracy. It is shown that at the lowest temperatures for which experimental data are available, the high-temperature limit underestimates relaxation rates by a factor of up to 2. For a comparison with experimental data it is also of interest to pay attention to the expression for the atomic hydrogen relaxation rates in terms of transition amplitudes for two-particle collisions. Discrepancies by a factor of 2 among previous derivations of relaxation rates are pointed out. To shed light on these discrepancies we present two alternative derivations in which special attention is paid to identical-particle aspects. Comparing with experiment, we find our theoretical volume relaxation rate to be in better agreement with measured values than that obtained by other groups. The theoretical surface relaxation rate, however, still shows a discrepancy with experiment by a factor of order 50

A polarized hydrogen/deuterium atomic beam source for internal target experiments

International Nuclear Information System (INIS)

Szczerba, D.; Buuren, L.D. van; Brand, J.F.J. van den; Bulten, H.J.; Ferro-Luzzi, M.; Klous, S.; Kolster, H.; Lang, J.; Mul, F.; Poolman, H.R.; Simani, M.C.

2000-01-01

A high-brightness hydrogen/deuterium atomic beam source is presented. The apparatus, previously used in electron scattering experiments with tensor-polarized deuterium (Ferro-Luzzi et al., Phys. Rev. Lett. 77 (1996) 2630; van den Brand et al., Phys. Rev. Lett. 78 (1997) 1235; Zhou et al., Phys. Rev. Lett. 82 (1998) 687; Bouwhuis et al., Phys. Rev. Lett. 82 (1999) 3755), was configured as a source for internal target experiments to measure single- and double-polarization observables, with either polarized hydrogen or vector/tensor polarized deuterium. The atomic beam intensity was enhanced by a factor of ∼2.5 by optimizing the Stern-Gerlach focusing system using high tip-field (∼1.5 T) rare-earth permanent magnets, and by increasing the pumping speed in the beam-formation chamber. Fluxes of (5.9±0.2)x10 16 1 H/s were measured in a diameter 12 mmx122 mm compression tube with its entrance at a distance of 27 cm from the last focusing element. The total output flux amounted to (7.6±0.2)x10 16 1 H/s

Electron capture by Ne3+ ions from atomic hydrogen

International Nuclear Information System (INIS)

Rejoub, R.; Bannister, M.E.; Havener, C.C.; Savin, D.W.; Verzani, C.J.; Wang, J.G.; Stancil, P.C.

2004-01-01

Using the Oak Ridge National Laboratory ion-atom merged-beam apparatus, absolute total electron-capture cross sections have been measured for collisions of Ne 3+ ions with hydrogen (deuterium) atoms at energies between 0.07 and 826 eV/u. Comparison to previous measurements shows large discrepancies between 50 and 400 eV/u. Previously published molecular-orbital close-coupling (MOCC) calculations were performed over limited energy ranges, but show good agreement with the present measurements. Here MOCC calculations are presented for energies between 0.01 and 1000 eV/u for collisions with both H and D. For energies below ∼1 eV/u, an enhancement in the magnitude of both the experimental and theoretical cross sections is observed which is attributed to the ion-induced dipole attraction between the reactants. Below ∼4 eV/u, the present calculations show a significant target isotope effect

Electron capture by Ne3+ ions from atomic hydrogen

Science.gov (United States)

Rejoub, R.; Bannister, M. E.; Havener, C. C.; Savin, D. W.; Verzani, C. J.; Wang, J. G.; Stancil, P. C.

2004-05-01

Using the Oak Ridge National Laboratory ion-atom merged-beam apparatus, absolute total electron-capture cross sections have been measured for collisions of Ne3+ ions with hydrogen (deuterium) atoms at energies between 0.07 and 826 eV/u . Comparison to previous measurements shows large discrepancies between 50 and 400 eV/u . Previously published molecular-orbital close-coupling (MOCC) calculations were performed over limited energy ranges, but show good agreement with the present measurements. Here MOCC calculations are presented for energies between 0.01 and 1000 eV/u for collisions with both H and D. For energies below ˜1 eV/u , an enhancement in the magnitude of both the experimental and theoretical cross sections is observed which is attributed to the ion-induced dipole attraction between the reactants. Below ˜4 eV/u , the present calculations show a significant target isotope effect.

Laser controlled magnetism in hydrogenated fullerene films

International Nuclear Information System (INIS)

Makarova, Tatiana L.; Shelankov, Andrei L.; Kvyatkovskii, Oleg E.; Zakharova, Irina B.; Buga, Sergei G.; Volkov, Aleksandr P.

2011-01-01

Room temperature ferromagnetic-like behavior in fullerene photopolymerized films treated with monatomic hydrogen is reported. The hydrogen treatment controllably varies the paramagnetic spin concentration and laser induced polymerization transforms the paramagnetic phase to a ferromagnetic-like one. Excess laser irradiation destroys magnetic ordering, presumably due to structural changes, which was continuously monitored by Raman spectroscopy. We suggest an interpretation of the data based on first-principles density-functional spin-unrestricted calculations which show that the excess spin from mono-atomic hydrogen is delocalized within the host fullerene and the laser-induced polymerization promotes spin exchange interaction and spin alignment in the polymerized phase.

New directions in the theory of spin-polarized atomic hydrogen and deuterium

International Nuclear Information System (INIS)

Koelman, J.M.V.A.

1988-01-01

The three chapters of this thesis dealing with collisions between hydrogen (or deuterium) atoms in their ground state, each treat a different development in the theory of atomic hydrogen or deuterium gas. The decay due to interatomic collisions hindered till now all attempts to reach the low temperature, high-density regime where effects due to degeneracy are expected to show up. In ch. 2 a simple way out is presented for the case of Fermi gases: In spin-polarized Fermi systems at very low temperatures collisions are much effective than in Bose systems. For the Fermi gas, consisting of magnetically confined deuterium atoms, it appears that fast spin-exchange collisions automatically lead to a completely spin-polarized gas for which the spin-relaxation limited lifetime increases dramatically with decreasing temperature. As also the ratio of internal thermalization rate over decay rate increases with decreasing temperature, this gas can be cooled by forced evaporation down to very low temperatures. In ch. 3 it iis shown that the nuclear spin dynamics due to the hyperfine interaction during collisions, strongly limits the improvement in frequency stability attainable by H masers operating at low temperatures. In ch. 4 the phenomenon of spin waves is studied. It is shown that, despite the fact that interactions between two atoms are nuclear-spin independent, the outcome of a scattering event does not depend on the nuclear spins involved due to the particle indistinguishability effects at low collision energies. This effect gives rise to quantum phenomena on a macroscopic scale via the occurrence of spin waves. (author). 185 refs.; 34 figs

Atomic structure calculations for F-like tungsten

Science.gov (United States)

Sunny, Aggarwal

2014-09-01

Energy levels, wavefunction compositions and lifetimes have been computed for all levels of 1s22s22p5, 1s22s2p6, 1s22s22p43s, 1s22s22p43p, and 1s22s22p43d configurations in highly charged F-like tungsten ion. The multiconfigurational Dirac—Fock method (MCDF) is adopted to generate the wavefunctions. We have also presented the transition wavelengths, oscillator strengths, transition probabilities, and line strengths for the electric dipole (E1) and magnetic quadrupole (M2) transition from the 1s22s22p5 ground configuration. We have performed parallel calculations with the flexible atomic code (FAC) for comparing the atomic data. The reliability of present data is assessed by comparison with other theoretical and experimental data available in the literature. Good agreement is found between our results and those obtained using different approaches confirm the quality of our results. Additionally, we have predicted some new atomic data for F-like W that were not available so far and may be important for plasma diagnostic analysis in fusion plasma.

Ground state of a hydrogen ion molecule immersed in an inhomogeneous electron gas

International Nuclear Information System (INIS)

Diaz-Valdes, J.; Gutierrez, F.A.; Matamala, A.R.; Denton, C.D.; Vargas, P.; Valdes, J.E.

2007-01-01

In this work we have calculated the ground state energy of the hydrogen molecule, H 2 + , immersed in the highly inhomogeneous electron gas around a metallic surface within the local density approximation. The molecule is perturbed by the electron density of a crystalline surface of Au with the internuclear axis parallel to the surface. The surface spatial electron density is calculated through a linearized band structure method (LMTO-DFT). The ground state of the molecule-ion was calculated using the Born-Oppenheimer approximation for a fixed-ion while the screening effects of the inhomogeneous electron gas are depicted by a Thomas-Fermi like electrostatic potential. We found that within our model the molecular ion dissociates at the critical distance of 2.35a.u. from the first atomic layer of the solid

Eosin Y as a Direct Hydrogen Atom Transfer Photocatalyst for the Functionalization of C-H Bonds.

Science.gov (United States)

Fan, Xuan-Zi; Rong, Jia-Wei; Wu, Hao-Lin; Zhou, Quan; Deng, Hong-Ping; Tan, Jin Da; Xue, Cheng-Wen; Wu, Li-Zhu; Tao, Hai-Rong; Wu, Jie

2018-05-02

Eosin Y, a well-known economical alternative to metal catalysts in visible-light-driven single-electron transfer-based organic transformations, can behave as an effective direct hydrogen atom transfer catalyst for C-H activation. Using the alkylation of C-H bonds with electron-deficient alkenes as a model study revealed an extremely broad substrate scope, enabling easy access to a variety of important synthons. This eosin Y-based photocatalytic hydrogen atom transfer strategy is promising for diverse functionalization of a wide range of native C-H bonds in a green and sustainable manner. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Coupled-channels calculations of excitation and ionization in ion-atom collisions

International Nuclear Information System (INIS)

Martir, M.H.

1981-01-01

A numerical method has been used to compute excitation and ionization cross sections for ion-atom collisions. The projectile is treated classically and follows a straight line, constant velocity path (unless indicated otherwise). The wave function that describes the atom is expanded about the target in a truncated Hilbert space. The interaction between the projectile and the target atom is treated as a time dependent perturbation. A unitary time development operator, U, propagates the wave function from a time prior to the collision to a time after the collision in small time steps. Contrary to first-order theories, coupling between states is allowed. This method has been improved so that any number of partial waves can be included in the wave function expansion. This method has been applied to study negatively charged projectiles. Cross sections are obtained for collisions of antiprotons on atomic hydrogen (30 keV to 372 keV) and compared with cross sections of protons on atomic hydrogen to explore the Z/sub P/ dependence. The antiproton-hydrogen results were converted into electron-hydrogen values with E/sub e/ = E/sub P/(m/sub e//m/sub P/) (15 eV to 200 eV) and compared to experimental values. The method is then applied to study vacancy production from the L-shell. The partial wave convergence of the cross sections was carefully studied for s through g waves. Collisions between protons (and alpha-particles) and argon are studied to explore the Z/sub P/ dependence of the cross sections. The cross section ratio sigma(α)/(4sigma(p)) is compared to experiment

Carbon-hydrogen defects with a neighboring oxygen atom in n-type Si

Science.gov (United States)

Gwozdz, K.; Stübner, R.; Kolkovsky, Vl.; Weber, J.

2017-07-01

We report on the electrical activation of neutral carbon-oxygen complexes in Si by wet-chemical etching at room temperature. Two deep levels, E65 and E75, are observed by deep level transient spectroscopy in n-type Czochralski Si. The activation enthalpies of E65 and E75 are obtained as EC-0.11 eV (E65) and EC-0.13 eV (E75). The electric field dependence of their emission rates relates both levels to single acceptor states. From the analysis of the depth profiles, we conclude that the levels belong to two different defects, which contain only one hydrogen atom. A configuration is proposed, where the CH1BC defect, with hydrogen in the bond-centered position between neighboring C and Si atoms, is disturbed by interstitial oxygen in the second nearest neighbor position to substitutional carbon. The significant reduction of the CH1BC concentration in samples with high oxygen concentrations limits the use of this defect for the determination of low concentrations of substitutional carbon in Si samples.

XUV-Exposed, Non-Hydrostatic Hydrogen-Rich Upper Atmospheres of Terrestrial Planets. Part II: Hydrogen Coronae and Ion Escape

Science.gov (United States)

Lammer, Helmut; Holmström, Mats; Panchenko, Mykhaylo; Odert, Petra; Erkaev, Nikolai V.; Leitzinger, Martin; Khodachenko, Maxim L.; Kulikov, Yuri N.; Güdel, Manuel; Hanslmeier, Arnold

2013-01-01

Abstract We studied the interactions between the stellar wind plasma flow of a typical M star, such as GJ 436, and the hydrogen-rich upper atmosphere of an Earth-like planet and a “super-Earth” with a radius of 2 REarth and a mass of 10 MEarth, located within the habitable zone at ∼0.24 AU. We investigated the formation of extended atomic hydrogen coronae under the influences of the stellar XUV flux (soft X-rays and EUV), stellar wind density and velocity, shape of a planetary obstacle (e.g., magnetosphere, ionopause), and the loss of planetary pickup ions on the evolution of hydrogen-dominated upper atmospheres. Stellar XUV fluxes that are 1, 10, 50, and 100 times higher compared to that of the present-day Sun were considered, and the formation of high-energy neutral hydrogen clouds around the planets due to the charge-exchange reaction under various stellar conditions was modeled. Charge-exchange between stellar wind protons with planetary hydrogen atoms, and photoionization, lead to the production of initially cold ions of planetary origin. We found that the ion production rates for the studied planets can vary over a wide range, from ∼1.0×1025 s−1 to ∼5.3×1030 s−1, depending on the stellar wind conditions and the assumed XUV exposure of the upper atmosphere. Our findings indicate that most likely the majority of these planetary ions are picked up by the stellar wind and lost from the planet. Finally, we estimated the long-time nonthermal ion pickup escape for the studied planets and compared them with the thermal escape. According to our estimates, nonthermal escape of picked-up ionized hydrogen atoms over a planet's lifetime within the habitable zone of an M dwarf varies between ∼0.4 Earth ocean equivalent amounts of hydrogen (EOH) to stars—Early atmospheres—Earth-like exoplanets—Energetic neutral atoms—Ion escape—Habitability. Astrobiology 13, 1030–1048. PMID:24283926

Charge changing and excitation cross sections for 1-25 KeV hydrogen ions and atoms incident on sodium

International Nuclear Information System (INIS)

Howald, A.M.

1983-01-01

Measurements of charge changing and excitation cross sections for 1-25 keV beams of hydrogen atoms and ions incident on a sodium vapor target are reported. The charge changing cross sections are for reactions in which the incident H ion or atom gains or loses an electron during a collision with a Na atoms to form a hydrogen ion or atom in a different charge state. The six cross sections measured are sigma/sub +0/ and sigma/sub +-/ for incident protons, sigma/sub -0/ and sigma/sub -+/ for incident H - ions, and sigma/sub g-/ and sigma/sub g+/ for incident H(1s) atoms. Measurements are also reported for the negative, neutral, and positve equilibrium fractions for H beams in thick Na targets. The excitation cross sections are for reactions in which the Na target atom is excited to the 3p level by a collision with a H atom or ion. The five cross sections measured are for incident H + , H 2 + , H 3 + , and H - ions, and for H(1s) atoms. These cross sections are measured using a new technique that compares them directly to the known cross section for excitation by electron impact

Atomic phenomena in dense plasmas

International Nuclear Information System (INIS)

Weisheit, J.C.

1981-03-01

The following chapters are included: (1) the plasma environment, (2) perturbations of atomic structure, (3) perturbations of atomic collisions, (4) formation of spectral lines, and (5) dielectronic recombination

"Phonon" scattering beyond perturbation theory

Science.gov (United States)

Qiu, WuJie; Ke, XueZhi; Xi, LiLi; Wu, LiHua; Yang, Jiong; Zhang, WenQing

2016-02-01

Searching and designing materials with intrinsically low lattice thermal conductivity (LTC) have attracted extensive consideration in thermoelectrics and thermal management community. The concept of part-crystalline part-liquid state, or even part-crystalline part-amorphous state, has recently been proposed to describe the exotic structure of materials with chemical- bond hierarchy, in which a set of atoms is weakly bonded to the rest species while the other sublattices retain relatively strong rigidity. The whole system inherently manifests the coexistence of rigid crystalline sublattices and fluctuating noncrystalline substructures. Representative materials in the unusual state can be classified into two categories, i.e., caged and non-caged ones. LTCs in both systems deviate from the traditional T -1 relationship ( T, the absolute temperature), which can hardly be described by small-parameter-based perturbation approaches. Beyond the classical perturbation theory, an extra rattling-like scattering should be considered to interpret the liquid-like and sublattice-amorphization-induced heat transport. Such a kind of compounds could be promising high-performance thermoelectric materials, due to the extremely low LTCs. Other physical properties for these part-crystalline substances should also exhibit certain novelty and deserve further exploration.

Inelastic processes in interaction of an atom with ultrashort pulse of an electromagnetic field

International Nuclear Information System (INIS)

Matveev, V.I.; Gusarevich, E.S.; Pashev, I.N.

2005-01-01

Electron transitions occurring when a heavy relativistic atom interacts with a spatially inhomogeneous ultrashort electromagnetic pulse are considered. Transition probabilities are expressed in terms of the known inelastic atomic form factors. By way of example, the inelastic processes accompanying the interaction of ultrashort pulses with hydrogen-like atoms are considered. The probabilities of ionization and production of a bound-free electron-positron pair on a bare nucleus, which are accompanied by the formation of a hydrogen-like atom in the final state and a positron in the continuum, are calculated. The developed technique makes it possible to take into exact account magnetic interaction besides spatial inhomogeneity of an ultrashort electromagnetic pulse [ru

Photoabsorption of atomic hydrogen in an external DC electric field

International Nuclear Information System (INIS)

Gailitis, Modris; Gailitis, Agris

1996-01-01

An analytical approach is presented which aids the computation of the photoabsorption spectrum of atomic hydrogen in a weak external DC electric field. Separation constants in the parabolic frame and one of the normalization factors are evaluated by the Telnov algorithm. For matrix elements the series expansion after powers of parabolic coordinates is used. An enhanced precision arithmetic is applied to extract the second normalization factor from the power expansion. The results agree with those from the previous calculations and experiment. (Author)

Hydrogen molecules and hydrogen-related defects in crystalline silicon

OpenAIRE

Fukata, N.; Sasak, S.; Murakami, K.; Ishioka, K.; Nakamura, K. G.; Kitajima, M.; Fujimura, S.; Kikuchi, J.; Haneda, H.

1997-01-01

We have found that hydrogen exists in molecular form in crystalline silicon treated with hydrogen atoms in the downstream of a hydrogen plasma. The vibrational Raman line of hydrogen molecules is observed at 4158cm-1 for silicon samples hydrogenated between 180 and 500 °C. The assignment of the Raman line is confirmed by its isotope shift to 2990cm-1 for silicon treated with deuterium atoms. The Raman intensity has a maximum for hydrogenation at 400 °C. The vibrational Raman line of the hydro...

Reaction of hydrogen atoms produced by radiolysis and photolysis in solid phase at 4 and 77 K

International Nuclear Information System (INIS)

Miyazaki, Tetsuo

1991-01-01

The behavior of H atoms in the solid phase has been reviewed with special attention to comparison of H atoms produced by radiolysis with those produced by photolysis. The paper consists of three parts. I -Production of H atoms: (1) the experimental results which indicate H-atom formation in the radiolysis of solid alkane are summarized; (2) ESR saturation behavior of trapped H atoms depends upon the method of H-atom-production, i.e. photolysis or radiolysis, and upon the initial energy of H atoms in the photolysis. II - Diffusion of H atoms: (1) activation energies for thermally-activated diffusion of H atoms are shown; (2) quantum diffusion of H atoms in solid H 2 is explained in terms of repetition of tunneling reaction H 2 + H → H + H 2 . III -Reaction of H atoms: (1) reactions and trapping processes of hot H atoms have been shown in solid methane and argon by use of hot H atoms with specified initial energy; (2) when H atoms are produced by the radiolysis of solvent alkane or by the photolysis of HI in the alkane mixtures at 77 K, the H atoms react very selectively with solute alkane at low concentration. The selective reaction of the H atom has been found in eight matrices; (3) activation energy for a hydrogen-atom-abstraction reaction by thermal H atoms at low temperatures is less than than several kJ mol -1 because of quantum tunneling. The absolute rate constants for H 2 (D 2 , HD) + H(D) tunneling reactions have been determined experimentally in solid hydrogen at 4.2K; (4) theoretical studies for tunneling reactions H 2 (D 2 ,HD) + H(D) at ultralow temperatures were reviewed. The calculated rate constants were compared with the rate constants obtained experimentally. (author)

Precise calibration of few-cycle laser pulses with atomic hydrogen

Science.gov (United States)

Wallace, W. C.; Kielpinski, D.; Litvinyuk, I. V.; Sang, R. T.

2017-12-01

Interaction of atoms and molecules with strong electric fields is a fundamental process in many fields of research, particularly in the emerging field of attosecond science. Therefore, understanding the physics underpinning those interactions is of significant interest to the scientific community. One crucial step in this understanding is accurate knowledge of the few-cycle laser field driving the process. Atomic hydrogen (H), the simplest of all atomic species, plays a key role in benchmarking strong-field processes. Its wide-spread use as a testbed for theoretical calculations allows the comparison of approximate theoretical models against nearly-perfect numerical solutions of the three-dimensional time-dependent Schrödinger equation. Until recently, relatively little experimental data in atomic H was available for comparison to these models, and was due mostly due to the difficulty in the construction and use of atomic H sources. Here, we review our most recent experimental results from atomic H interaction with few-cycle laser pulses and how they have been used to calibrate important laser pulse parameters such as peak intensity and the carrier-envelope phase (CEP). Quantitative agreement between experimental data and theoretical predictions for atomic H has been obtained at the 10% uncertainty level, allowing for accurate laser calibration intensity at the 1% level. Using this calibration in atomic H, both accurate CEP data and an intensity calibration standard have been obtained Ar, Kr, and Xe; such gases are in common use for strong-field experiments. This calibration standard can be used by any laboratory using few-cycle pulses in the 1014 W cm-2 intensity regime centered at 800 nm wavelength to accurately calibrate their peak laser intensity to within few-percent precision.

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen

Science.gov (United States)

Barklem, P. S.

2018-02-01

Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data

Coulomb states in atoms and solids

International Nuclear Information System (INIS)

Ortalano, D.M.

1988-05-01

In this dissertation, an empirical quantum defect approach to describe the valence excitons of the rare gas solids is developed. These Coulomb states are of s-symmetry and form a hydrogen-like series which converges to the bottom of the lowest conduction band. A non-zero quantum defect is found for all of the excitons of neon, argon and xenon. For these systems, then, there exists, in addition to the screened Coulombic component, a non-Coulombic component to the total exciton binding energy. The Wannier formalism is, therefore, inappropriate for the excitons of Ne, Ar and Xe. From the sign of the quantum defect, the non-Coulombic potential is repulsive for Ne and Ar, attractive for Xe, and nearly zero for Kr. This is opposite to that for the Rydberg states of the corresponding rare gas atoms, where the non-Coulombic potential between the electron and the cation is attractive for all of the atoms. The excitons then, are not simply perturbed Rydberg states of the corresponding rare gas atoms (i.e., the excitons do not possess atomic parentage). Interatomic term value/band gap energy correlations and reduced term value/reduced band gap correlations were performed. These correlations were exploited to provide further evidence against both the Wannier formalism and the atomic parentage view point. From these correlations, it was also discovered that the non-Coulombic potential varies smoothly across the valence isoelectronic series of solids, and that it becomes more attractive (or less repulsive) in going from neon to xenon. In order to address the atomic parentage controversy, it was necessary to compare the excitons to the low-n Rydberg states of the rare gas atoms. A review of the quantum defect description of the atomic Rydberg states is, therefore, presented. Also, Rydberg term value/ionization energy correlations are discussed and compared with the analogous exciton correlations. 7 refs., 10 figs., 5 tabs

The variational method in the atomic structure calcularion

International Nuclear Information System (INIS)

Tomimura, A.

1970-01-01

The importance and limitations of variational methods on the atomic structure calculations is set into relevance. Comparisons are made to the Perturbation Theory. Ilustrating it, the method is applied to the H - , H + and H + 2 simple atomic structure systems, and the results are analysed with basis on the study of the associated essential eigenvalue spectrum. Hydrogenic functions (where the screening constants are replaced by variational parameters) are combined to construct the wave function with proper symmetry for each one of the systems. This shows the existence of a bound state for H - , but no conclusions can be made for the others, where it may or may not be necessary to use more flexible wave functions, i.e., with greater number of terms and parameters. (author) [pt

Theoretical calculations of electron-impact and radiative processes in atoms

International Nuclear Information System (INIS)

Pindzola, M.S.

1975-01-01

Electron-impact and radiative processes in atoms are investigated with particular attention paid to the effects of electron correlations. Using the optical potential method, the cross section for the elastic scattering of electrons by the neutral argon atom is calculated from 0 to 300 eV. Corrections to the Hartree--Fock cross section are obtained from a many-particle perturbation expansion. The effects of electron correlations are found to be quite significant at low energy. The optical potential results are compared with a polarized orbital calculation, the Born approximation and experiment. The 2s and 2p excitation cross sections for electron scattering on hydrogen are calculated by two similar methods. The distorted wave method is applied and the effect of calculating the outgoing scattered electron in the potential of the initial or final state is investigated. The imaginary part of the optical potential is also calculated in lowest order by the use of many-body diagrams. The subshell photoionization cross sections in argon are calculated using the acceleration, length and velocity forms of the dipole operator. First order electron correlation corrections to the Hartree--Fock approximation are obtained through the use of many-body perturbation theory. Also investigated is the two photon ionization cross section for the neutral argon atom. A double perturbation expansion in the Coulomb correlations and the atom-radiation field interaction is made. Contributions from intermediate states are obtained by direct summation over Hartree--Fock bound and continuum single particle states. The effects of electron correlations and photon radiative corrections are investigated

Atomic processes in hydrogen and deuterium negative ion discharges

International Nuclear Information System (INIS)

Hiskes, J.R.

1992-01-01

A knowledge of the atomic processes active in a hydrogen negative ion discharge and their respective rates is an essential component of the interpretation, modeling, and enhancement of negative ion systems. The generation of the cross sections and rate processes appropriate to this problem has been a principal activity at several laboratories. In this paper is discussed those collision processes that are of major importance for the destruction of the vibrationally excited molecules generated in the discharge, processes that are essential to the valuation of the optimization procedure that is to be discussed in this paper

Dynamics of a Rydberg hydrogen atom near a metal surface in the electron-extraction scheme

Energy Technology Data Exchange (ETDEWEB)

Iñarrea, Manuel [Área de Física Aplicada, Universidad de La Rioja, Logroño (Spain); Lanchares, Víctor [Departamento de Matemáticas y Computación, Universidad de La Rioja, Logroño, La Rioja (Spain); Palacián, Jesús [Departamento de Ingeniería Matemática e Informática, Universidad Pública de Navarra, Pamplona (Spain); Pascual, Ana I. [Departamento de Matemáticas y Computación, Universidad de La Rioja, Logroño, La Rioja (Spain); Salas, J. Pablo, E-mail: josepablo.salas@unirioja.es [Área de Física Aplicada, Universidad de La Rioja, Logroño (Spain); Yanguas, Patricia [Departamento de Ingeniería Matemática e Informática, Universidad Pública de Navarra, Pamplona (Spain)

2015-01-23

We study the classical dynamics of a Rydberg hydrogen atom near a metal surface in the presence of a constant electric field in the electron-extraction situation [1], e.g., when the field attracts the electron to the vacuum. From a dynamical point of view, this field configuration provides a dynamics richer than in the usual ion-extraction scheme, because, depending on the values of field and the atom–surface distance, the atom can be ionized only towards the metal surface, only to the vacuum or to the both sides. The evolution of the phase space structure as a function of the atom–surface distance is explored in the bound regime of the atom. In the high energy regime, the ionization mechanism is also investigated. We find that the classical results of this work are in good agreement with the results obtained in the wave-packet propagation study carried out by So et al. [1]. - Highlights: • We study a classical hydrogen atom near a metal surface plus a electric field. • We explore the phase space structure as a function of the field strength. • We find most of the electronic orbits are oriented along the field direction. • We study the ionization of the atom for several atom–surface distances. • This classical study is in good agreement with the quantum results.

Anelastic mechanical loss spectrometry of hydrogen in austenitic stainless steels

International Nuclear Information System (INIS)

Yagodzinskyy, Y.; Andronova, E.; Ivanchenko, M.; Haenninen, H.

2009-01-01

Atomic distribution of hydrogen, its elemental diffusion jumps and its interaction with dislocations in a number of austenitic stainless steels are studied with anelastic mechanical loss (AML) spectrometry in combination with the hydrogen thermal desorption method. Austenitic stainless steels of different chemical composition, namely, AISI 310, AISI 201, and AISI 301LN, as well as LDX 2101 duplex stainless steel are studied to clarify the role of different alloying elements on the hydrogen behavior. Activation analyses of the hydrogen Snoek-like peaks are performed with their decomposition to sets of Gaussian components. Fine structure of the composite hydrogen peaks is analyzed under the assumption that each component corresponds to diffusion transfer of hydrogen between octahedral positions with certain atomic compositions of the nearest neighbouring lattice sites. An additional component originating from hydrogen-dislocation interaction is considered. Binding energies for hydrogen-dislocation interaction are also estimated for the studied austenitic stainless steels.

Calculation of the positronium formation differential cross section for collision of electron with anti-hydrogen atoms

International Nuclear Information System (INIS)

Ghanbari Adivi, E.; Kanjuri, F.; Bolorizadeh, M.

2006-01-01

The positronium formation differential cross sections in collision of the high-energy but non-relativistic electrons with anti-hydrogen atoms are calculated by using the three-body Faddeev-Watson-Lovelace formalism. In a second-order approximation, the inter-nuclear and nuclear-electronic partial amplitudes therein the Faddeev-Watson series are calculated, analytically, in the range of 0-180 degrees of the scattering angles. The presence of the T homas peak a t 45 d egree i s investigated. The results are discussed for 1 and 10 keV impact energies and for electron transition from anti-hydrogen ground state into the different states therein the K-, L- and M- shells of the positronium atoms.

Atomic-resolution neutron holography

International Nuclear Information System (INIS)

Cser, L.; Toeroek, Gy.; Krexner, G.

2001-01-01

Atomic-resolution neutron holography can be realised by two different schemes. In the frame of the first approach a point-like source of slow neutrons is produced inside the investigated crystal. Due to the extremely large value of the incoherent-scattering cross-section of the proton, hydrogen atoms imbedded in a metal single-crystal lattice may serve as point-like sources when the sample is irradiated by a monochromatic beam of slow neutrons. The second approach utilizes the registration of the interference between the incident and scattered waves by means of a point-like detector inserted in the lattice of the crystal under investigation. In addition, neutron-induced electron holography is considered. The feasibility of these ideas is discussed. (orig.)

Relativistic Dirac-Fock and many-body perturbation calculations on He, He-like ions, Ne, and Ar

International Nuclear Information System (INIS)

Ishikawa, Y.

1990-01-01

Relativistic Dirac-Fock and diagrammatic many-body perturbation-theory calculations have been performed on He, several He-like ions, Ne, and Ar. The no-pair Dirac-Coulomb Hamiltonian is taken as the starting point. A solution of the Dirac-Fock equations is obtained by analytic expansion in basis sets of Gaussian-type functions. Many-body perturbation improvements of Coulomb correlation are done to third order

Ultrafine hydrogen storage powders

Science.gov (United States)

Anderson, Iver E.; Ellis, Timothy W.; Pecharsky, Vitalij K.; Ting, Jason; Terpstra, Robert; Bowman, Robert C.; Witham, Charles K.; Fultz, Brent T.; Bugga, Ratnakumar V.

2000-06-13

A method of making hydrogen storage powder resistant to fracture in service involves forming a melt having the appropriate composition for the hydrogen storage material, such, for example, LaNi.sub.5 and other AB.sub.5 type materials and AB.sub.5+x materials, where x is from about -2.5 to about +2.5, including x=0, and the melt is gas atomized under conditions of melt temperature and atomizing gas pressure to form generally spherical powder particles. The hydrogen storage powder exhibits improved chemcial homogeneity as a result of rapid solidfication from the melt and small particle size that is more resistant to microcracking during hydrogen absorption/desorption cycling. A hydrogen storage component, such as an electrode for a battery or electrochemical fuel cell, made from the gas atomized hydrogen storage material is resistant to hydrogen degradation upon hydrogen absorption/desorption that occurs for example, during charging/discharging of a battery. Such hydrogen storage components can be made by consolidating and optionally sintering the gas atomized hydrogen storage powder or alternately by shaping the gas atomized powder and a suitable binder to a desired configuration in a mold or die.

Role of atom--atom inelastic collisions in two-temperature nonequilibrium plasmas

International Nuclear Information System (INIS)

Kunc, J.A.

1987-01-01

The contribution of inelastic atom--atom collisions to the production of electrons and excited atoms in two-temperature (with electron temperature T/sub e/, atomic temperature T/sub a/, and atomic density N/sub a/), steady-state, nonequilibrium atomic hydrogen plasma is investigated. The results are valid for plasmas having large amounts of atomic hydrogen as one of the plasma components, so that e--H and H--H inelastic collisions and interaction of these atoms with radiation dominate the production of electrons and excited hydrogen atoms. Densities of electrons and excited atoms are calculated in low-temperature plasma, with T/sub e/ and T/sub a/≤8000 K and 10 16 cm -3 ≤N/sub a/≤10 18 cm -3 , and with different degrees of the reabsorption of radiation. The results indicate that inelastic atom--atom collisions are important for production of electrons and excited atoms in partially ionized plasmas with medium and high atomic density and temperatures below 8000 K

Determination of the Relative Atomic Masses of Metals by Liberation of Molecular Hydrogen

Science.gov (United States)

Waghorne, W. Earle; Rous, Andrew J.

2009-01-01

Students determine the relative atomic masses of calcium, magnesium, and aluminum by reaction with hydrochloric acid and measurement of the volume of hydrogen gas liberated. The experiment demonstrates stoichiometry and illustrates clearly that mass of the reagent is not the determinant of the amounts in chemical reactions. The experiment is…

Modification of rubber surface with hydrogenated diamond-like carbon thin films

NARCIS (Netherlands)

Pei, Y. T.; Bui, X. L.; De Hosson, J. Th. M.; Laudon, M; Romanowicz, B

2009-01-01

Thin films of hydrogenated diamond-like carbon (DLC) have been deposited on hydrogenated nitrile butadiene rubber (HNBR) for reduction of friction and enhancement of wear resistance of dynamic rubber seals, by sputtering graphite targets in C(2)H(2)/Ar plasma. The wax removal and pre-deposition

Irregular wave functions of a hydrogen atom in a uniform magnetic field

Science.gov (United States)

Wintgen, D.; Hoenig, A.

1989-01-01

The highly excited irregular wave functions of a hydrogen atom in a uniform magnetic field are investigated analytically, with wave function scarring by periodic orbits considered quantitatively. The results obtained confirm that the contributions of closed classical orbits to the spatial wave functions vanish in the semiclassical limit. Their disappearance, however, is slow. This discussion is illustrated by numerical examples.

Membrane pumping technology, helium and hydrogen isotopes separation in the fusion hydrogen

International Nuclear Information System (INIS)

Pigarov, A.Yu.; Pistunovich, V.I.; Busnyuk, A.O.

1994-01-01

A gas pumping system for the ITER, improved by implementation of superpermeable membranes for selective hydrogen isotope exhaust, is considered. The study of the pumping capability of a niobium membrane for a hydrogen-helium mixture has been fulfilled. The membrane superpermeability can be only realized for atomic hydrogen. Helium does not pass through the membrane, and its presence does not affect the hydrogen pumping. A detailed Monte Carlo simulation of gas behavior for the experimental facility has been done. The probability of permeation for a hydrogen atom for one collision with the membrane is ∼0.1; the same probability of molecule permeation is ∼10 -5 . The probability for atomization, i.e. re-emission of an atomizer is ∼0.2; the probability of recombination of an atom is ∼0.2

Electron capture in slow collisions of multicharged ions with hydrogen atoms using merged beams

International Nuclear Information System (INIS)

Havener, C.C.; Nesnidal, M.P.; Porter, M.R.; Phaneuf, R.A.

1991-01-01

Absolute total electron-capture cross-section mesurements are reported for collisions of O 3+ and O 4+ with atomic hydrogen in the energy range 1-1000 eV /amu using merged beams. The data are compared with available coupled-states theoretical calculations. (orig.)

Atomic scale study of the chemistry of oxygen, hydrogen and water at SiC surfaces

International Nuclear Information System (INIS)

Amy, Fabrice

2007-01-01

Understanding the achievable degree of homogeneity and the effect of surface structure on semiconductor surface chemistry is both academically challenging and of great practical interest to enable fabrication of future generations of devices. In that respect, silicon terminated SiC surfaces such as the cubic 3C-SiC(1 0 0) 3 x 2 and the hexagonal 6H-SiC(0 0 0 1) 3 x 3 are of special interest since they give a unique opportunity to investigate the role of surface morphology on oxygen or hydrogen incorporation into the surface. In contrast to silicon, the subsurface structure plays a major role in the reactivity, leading to unexpected consequences such as the initial oxidation starting several atomic planes below the top surface or the surface metallization by atomic hydrogen. (review article)

Production and detection of cold anti-hydrogen atoms A first step towards high precision CPT test

CERN Document Server

Variola, A; Bonomi, G; Boutcha, A; Bowe, P; Carraro, C; Cesar, C L; Charlton, M; Doser, Michael; Filippini, V; Fontana, A; Fujiwara, M C; Funakoshi, R; Genova, P; Hangst, J S; Hayano, R S; Jørgensen, L V; Lagomarsino, V; Landua, Rolf; Lindelöf, D; Lodi-Rizzini, E; Macri, M; Madsen, N; Manuzio, G; Montagna, P; Pruys, H S; Regenfus, C; Rotondi, A; Riedler, P; Testera, G; Van der Werf, D P

2003-01-01

Observations of anti-hydrogen in small quantities have been reported at CERN and at FermiLab, but these experiments were not suited to spectroscopy experiments. In 2002 the ATHENA collaboration reported the production and detection of very low energy anti-hydrogen atoms produced in cryogenic environment. This is the first major step in the study of antiatom's internal structure and it can lead to a high precision test of the CPT fundamental symmetry. The method of production and detection of cold anti-hydrogen will be introduced. The absolute rate of anti-hydrogen production and the signal to background ratio in the ATHENA experiment will be discussed. (7 refs) .

Inelastic Processes in the Interaction of an Atom with an Ultrashort Electromagnetic Pulse

International Nuclear Information System (INIS)

Matveev, V.I.; Gusarevich, E.S.; Pashev, I.N.