Energy Technology Data Exchange (ETDEWEB)
Saikia, Binoy K. [Indian Oil Corporation Ltd., West Bengal (India)
2010-07-01
This paper communicates the distribution of carbon atoms in a single poly-cyclic aromatic (PCA) layer (graphene) in Tikak coal from Assam, India. The pair distribution function (PDF) analysis performed indicates no evidence of any graphite like structure in this coal. The aromatic fraction is observed to be 74%; with the aliphatic fraction correspondingly estimated to be 26% in this coal. The average carbon atom has 2.5 nearest carbon atom neighbours at an average bond distance of 1.50{angstrom}. The average stacking height of the parallel aromatic layers (Lc) and the average diameter of the aromatic layers (La) are estimated to be 9.86 {angstrom} and 4.80 {angstrom} respectively. For this coal, the average number of stacking layers and the average number of atoms per layer are estimated to be four and eight respectively. In addition, the gamma band is observed at a d-value of 4.34{angstrom}. The comparison of the atom-pair correlation function to simulated one-dimensional structure function calculated for a model compound benzene (C{sub 6}H{sub 6}) also indicates that C{sub 6} unit is the major components in this coal. The average carbon atom has at least one and one nearest aryl and alkyl C-C atom pairs separated by 1.39 and 1.54{angstrom} respectively.
International Nuclear Information System (INIS)
Johnson, E.
1977-01-01
A theory for site-site pair distribution functions of molecular fluids is derived from the Ornstein-Zernike equation. Atom-atom pair distribution functions of this theory which were obtained by using different approximations for the Percus-Yevick site-site direct correlation functions are compared
Energy Technology Data Exchange (ETDEWEB)
Masadeh, A S; Bozin, E S; Farrow, C L; Paglia, G; Juhas, P; Billinge, S J. L.; Karkamkar, A; Kanatzidis, M G [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1116 (United States); Department of Chemistry, Michigan State University, East Lansing, Michigan 48824-1116 (United States)
2007-09-15
The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in terms of the wurtzite atomic structure with extensive stacking faults. The density of faults in the nanoparticles is {approx}50%. The diameter of the core region was extracted directly from the PDF data and is in good agreement with the diameter obtained from standard characterization methods, suggesting that there is little surface amorphous region. A compressive strain was measured in the Cd-Se bond length that increases with decreasing particle size being 0.5% with respect to bulk CdSe for the 2 nm diameter particles. This study demonstrates the size-dependent quantitative structural information that can be obtained even from very small nanoparticles using the PDF approach.
Pair distribution function and structure factor of spherical particles
International Nuclear Information System (INIS)
Howell, Rafael C.; Proffen, Thomas; Conradson, Steven D.
2006-01-01
The availability of neutron spallation-source instruments that provide total scattering powder diffraction has led to an increased application of real-space structure analysis using the pair distribution function. Currently, the analytical treatment of finite size effects within pair distribution refinement procedures is limited. To that end, an envelope function is derived which transforms the pair distribution function of an infinite solid into that of a spherical particle with the same crystal structure. Distributions of particle sizes are then considered, and the associated envelope function is used to predict the particle size distribution of an experimental sample of gold nanoparticles from its pair distribution function alone. Finally, complementing the wealth of existing diffraction analysis, the peak broadening for the structure factor of spherical particles, expressed as a convolution derived from the envelope functions, is calculated exactly for all particle size distributions considered, and peak maxima, offsets, and asymmetries are discussed
DEFF Research Database (Denmark)
Bøtker, Johan P; Karmwar, Pranav; Strachan, Clare J
2011-01-01
to analyse the cryo-milled samples. The high similarity between the ¿-indomethacin cryogenic ball milled samples and the crude ¿-indomethacin indicated that milled samples retained residual order of the ¿-form. The PDF analysis encompassed the capability of achieving a correlation with the physical......The aim of this study was to investigate the usefulness of the atomic pair-wise distribution function (PDF) to detect the extension of disorder/amorphousness induced into a crystalline drug using a cryo-milling technique, and to determine the optimal milling times to achieve amorphisation. The PDF...... properties determined from DSC, ss-NMR and stability experiments. Multivariate data analysis (MVDA) was used to visualize the differences in the PDF and XRPD data. The MVDA approach revealed that PDF is more efficient in assessing the introduced degree of disorder in ¿-indomethacin after cryo-milling than...
Directory of Open Access Journals (Sweden)
Hiroshi Suzuki
2016-01-01
Full Text Available The deformation of nanostructure of calcium silicate hydrate (C-S-H in Portland cement (PC paste under compression was characterized by the atomic pair distribution function (PDF, measured using synchrotron X-ray diffraction. The PDF of the PC paste exhibited a unique deformation behavior for a short-range order below 2.0 nm, close to the size of the C-S-H globule, while the deformation for a long-range order was similar to that of a calcium hydroxide phase measured by Bragg peak shift. The compressive deformation of the C-S-H nanostructure was comprised of three stages with different interactions between globules. This behavior would originate from the granular nature of C-S-H, which deforms with increasing packing density by slipping the interfaces between globules, rearranging the overall C-S-H nanostructure. This new approach will lead to increasing applications of the PDF technique to understand the deformation mechanism of C-S-H in PC-based materials.
Pair distribution function analysis applied to decahedral gold nanoparticles
International Nuclear Information System (INIS)
Nakotte, H; Silkwood, C; Kiefer, B; Karpov, D; Fohtung, E; Page, K; Wang, H-W; Olds, D; Manna, S; Fullerton, E E
2017-01-01
The five-fold symmetry of face-centered cubic (fcc) derived nanoparticles is inconsistent with the translational symmetry of a Bravais lattice and generally explained by multiple twinning of a tetrahedral subunit about a (joint) symmetry axis, with or without structural modification to the fcc motif. Unlike in bulk materials, five-fold twinning in cubic nanoparticles is common and strongly affects their structural, chemical, and electronic properties. To test and verify theoretical approaches, it is therefore pertinent that the local structural features of such materials can be fully characterized. The small size of nanoparticles severely limits the application of traditional analysis techniques, such as Bragg diffraction. A complete description of the atomic arrangement in nanoparticles therefore requires a departure from the concept of translational symmetry, and prevents fully evaluating all the structural features experimentally. We describe how recent advances in instrumentation, together with the increasing power of computing, are shaping the development of alternative analysis methods of scattering data for nanostructures. We present the application of Debye scattering and pair distribution function (PDF) analysis towards modeling of the total scattering data for the example of decahedral gold nanoparticles. PDF measurements provide a statistical description of the pair correlations of atoms within a material, allowing one to evaluate the probability of finding two atoms within a given distance. We explored the sensitivity of existing synchrotron x-ray PDF instruments for distinguishing four different simple models for our gold nanoparticles: a multiply twinned fcc decahedron with either a single gap or multiple distributed gaps, a relaxed body-centered orthorhombic (bco) decahedron, and a hybrid decahedron. The data simulations of the models were then compared with experimental data from synchrotron x-ray total scattering. We present our experimentally
Energy Technology Data Exchange (ETDEWEB)
Li, Wei; Harrington, Richard; Tang, Yuanzhi; Kubicki, James D.; Aryanpour, Masoud; Reeder, Richard J.; Parise, John B.; Phillips, Brian L. (SBU); (Penn)
2012-03-15
Structural information is important for understanding surface adsorption mechanisms of contaminants on metal (hydr)oxides. In this work, a novel technique was employed to study the interfacial structure of arsenate oxyanions adsorbed on {gamma}-alumina nanoparticles, namely, differential pair distribution function (d-PDF) analysis of synchrotron X-ray total scattering. The d-PDF is the difference of properly normalized PDFs obtained for samples with and without arsenate adsorbed, otherwise identically prepared. The real space pattern contains information on atomic pair correlations between adsorbed arsenate and the atoms on {gamma}-alumina surface (Al, O, etc.). PDF results on the arsenate adsorption sample on {gamma}-alumina prepared at 1 mM As concentration and pH 5 revealed two peaks at 1.66 {angstrom} and 3.09 {angstrom}, corresponding to As-O and As-Al atomic pair correlations. This observation is consistent with those measured by extended X-ray absorption fine structure (EXAFS) spectroscopy, which suggests a first shell of As-O at 1.69 {+-} 0.01 {angstrom} with a coordination number of 4 and a second shell of As-Al at 3.13 {+-} 0.04 {angstrom} with a coordination number of 2. These results are in agreement with a bidentate binuclear coordination environment to the octahedral Al of {gamma}-alumina as predicted by density functional theory (DFT) calculation.
Li, Wei; Harrington, Richard; Tang, Yuanzhi; Kubicki, James D; Aryanpour, Masoud; Reeder, Richard J; Parise, John B; Phillips, Brian L
2011-11-15
Structural information is important for understanding surface adsorption mechanisms of contaminants on metal (hydr)oxides. In this work, a novel technique was employed to study the interfacial structure of arsenate oxyanions adsorbed on γ-alumina nanoparticles, namely, differential pair distribution function (d-PDF) analysis of synchrotron X-ray total scattering. The d-PDF is the difference of properly normalized PDFs obtained for samples with and without arsenate adsorbed, otherwise identically prepared. The real space pattern contains information on atomic pair correlations between adsorbed arsenate and the atoms on γ-alumina surface (Al, O, etc.). PDF results on the arsenate adsorption sample on γ-alumina prepared at 1 mM As concentration and pH 5 revealed two peaks at 1.66 Å and 3.09 Å, corresponding to As-O and As-Al atomic pair correlations. This observation is consistent with those measured by extended X-ray absorption fine structure (EXAFS) spectroscopy, which suggests a first shell of As-O at 1.69 ± 0.01 Å with a coordination number of ~4 and a second shell of As-Al at ~3.13 ± 0.04 Å with a coordination number of ~2. These results are in agreement with a bidentate binuclear coordination environment to the octahedral Al of γ-alumina as predicted by density functional theory (DFT) calculation.
Prasai, Binay
We present the results from a study aimed at clarifying the relationship between the atomic structure and activity of nanocatalysts for chemical reactions driving fuel cells, such as the oxygen reduction reaction (ORR). Using in-operando high-energy X-ray diffraction we tracked the evolution of the atomic structure and activity of noble metal-transition metal(NM-TM) nanocatalysts for ORR as they function at the cathode of a fully operational proton exchange membrane fuel cell (PEMFC). Data were analyzed in terms of atomic pair distribution functions and compared to the current output of the PEMFC, which was also recorded during the experiments. The comparison revealed that under actual operating conditions, NM-TM nanocatalysts can undergo structural changes that differ significantly in both length-scale and dynamics and so can suffer losses in their ORR activity that differ significantly in both character and magnitude. Therefore, we argue that strategies for reducing ORR activity losses should implement steps for achieving control not only over the length but also over the time-scale of the structural changes of NM-TM NPs that indeed occur during PEMFC operation.
International Nuclear Information System (INIS)
Fry-Petit, A. M.; Sheckelton, J. P.; McQueen, T. M.; Rebola, A. F.; Fennie, C. J.; Mourigal, M.; Valentine, M.; Drichko, N.
2015-01-01
For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn 2 Mo 3 O 8 , this approach allows direct assignment of the constrained rotational mode of Mo 3 O 13 clusters and internal modes of MoO 6 polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems
Pair distribution function and its relation to the glass transition in an amorphous alloy
International Nuclear Information System (INIS)
Basak, S.; Clarke, R.; Nagel, S.R.
1979-01-01
Data for the pair distribution function g (r) are presented as a function of temperature for amorphous Nb/sub 0.4/Ni/sub 0.6/. We show, based on a simple model, that g (r) varies linearly with T over a wide temperature range in the glass as was found empirically by Wendt and Abraham. We also find that in our glass the behavior of g (r) near the glass transition is, within experimental error, similar to what they found in their Monte Carlo calculation. We interpret the deviation from linearity at the glass transition as due to the onset of diffusive motion of the atoms
DEFF Research Database (Denmark)
Boetker, Johan P.; Koradia, Vishal; Rades, Thomas
2012-01-01
was subjected to quench cooling thereby creating an amorphous form of the drug from both starting materials. The milled and quench cooled samples were, together with the crystalline starting materials, analyzed with X-ray powder diffraction (XRPD), Raman spectroscopy and atomic pair-wise distribution function...... (PDF) analysis of the XRPD pattern. When compared to XRPD and Raman spectroscopy, the PDF analysis was superior in displaying the difference between the amorphous samples prepared by milling and quench cooling approaches of the two starting materials....
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]....
Petkov, Valeri; Prasai, Binay; Shan, Shiyao; Ren, Yang; Wu, Jinfang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian
2016-05-19
Here we present the results from a study aimed at clarifying the relationship between the atomic structure and activity of nanocatalysts for chemical reactions driving fuel cells, such as the oxygen reduction reaction (ORR). In particular, using in operando high-energy X-ray diffraction (HE-XRD) we tracked the evolution of the atomic structure and activity of noble metal-transition metal (NM-TM) nanocatalysts for ORR as they function at the cathode of a fully operational proton exchange membrane fuel cell (PEMFC). Experimental HE-XRD data were analysed in terms of atomic pair distribution functions (PDFs) and compared to the current output of the PEMFC, which was also recorded during the experiments. The comparison revealed that under actual operating conditions, NM-TM nanocatalysts can undergo structural changes that differ significantly in both length-scale and dynamics and so can suffer losses in their ORR activity that differ significantly in both character and magnitude. Therefore we argue that strategies for reducing ORR activity losses should implement steps for achieving control not only over the length but also over the time-scale of the structural changes of NM-TM NPs that indeed occur during PEMFC operation. Moreover, we demonstrate how such a control can be achieved and thereby the performance of PEMFCs improved considerably. Last but not least, we argue that the unique capabilities of in operando HE-XRD coupled to atomic PDF analysis to characterize active nanocatalysts inside operating fuel cells both in a time-resolved manner and with atomic level resolution, i.e. in 4D, can serve well the ongoing search for nanocatalysts that deliver more with less platinum.
Theoretical method for determining particle distribution functions of classical systems
International Nuclear Information System (INIS)
Johnson, E.
1980-01-01
An equation which involves the triplet distribution function and the three-particle direct correlation function is obtained. This equation was derived using an analogue of the Ornstein--Zernike equation. The new equation is used to develop a variational method for obtaining the triplet distribution function of uniform one-component atomic fluids from the pair distribution function. The variational method may be used with the first and second equations in the YBG hierarchy to obtain pair and triplet distribution functions. It should be easy to generalize the results to the n-particle distribution function
White, Claire E; Provis, John L; Proffen, Thomas; Riley, Daniel P; van Deventer, Jannie S J
2010-04-07
Understanding the atomic structure of complex metastable (including glassy) materials is of great importance in research and industry, however, such materials resist solution by most standard techniques. Here, a novel technique combining thermodynamics and local structure is presented to solve the structure of the metastable aluminosilicate material metakaolin (calcined kaolinite) without the use of chemical constraints. The structure is elucidated by iterating between least-squares real-space refinement using neutron pair distribution function data, and geometry optimisation using density functional modelling. The resulting structural representation is both energetically feasible and in excellent agreement with experimental data. This accurate structural representation of metakaolin provides new insight into the local environment of the aluminium atoms, with evidence of the existence of tri-coordinated aluminium. By the availability of this detailed chemically feasible atomic description, without the need to artificially impose constraints during the refinement process, there exists the opportunity to tailor chemical and mechanical processes involving metakaolin and other complex metastable materials at the atomic level to obtain optimal performance at the macro-scale.
Determination of the radial distribution function with the tomographic atom probe
International Nuclear Information System (INIS)
Heinrich, A.; Al-Kassab, T.
2004-01-01
Full text: An algorithm for the determination of the radial distribution function (RDF) and the partial radial distribution function from tomographic atom probe data is introduced and some examples for its application are discussed. Homogeneous distribution of atoms can easily be determined from measured data. Using our algorithm, the lattice of simple cubic structures may be estimated solely from TAP data. The results for bcc and fcc alloys and metals will be presented. By evaluating the vicinity of each atom, information about order phenomena in multi component alloy can be retrieved including short range order. The advantage of determining the (partial) radial distribution functions for any sample with our algorithm is that all data can be derived by one single experiment whereas all other methods of determining a pRDF require one experiment for each pRDF. (author)
Cafarelli, P; Benazeth, C; Nieuwjaer, N; Lorente, N
2003-01-01
We compare the azimuthal distribution of H atoms after scattering off Ag(1 1 0) obtained by molecular dynamics with different H-Ag(1 1 0) potential energy surfaces (PES) and experimental results. We use grazing incident H atoms and low energies (up to 4 keV). Density functional theory (DFT) calculations are performed for the static case of an H atom in front of an Ag(1 1 0) surface. The surface is represented by an 8-atom slab, and the H atoms form 1x1 and 2x2 supercells. The generalized gradient approximation is used. Classical trajectories are evaluated on the obtained PES, and the azimuthal distribution of the scattered atoms is calculated. Good agreement with experiment is obtained which gives us some confidence in the correct description of the system at low energies by the static DFT calculations. These results are also compared with pair-potential calculations. The accuracy of trajectories may be important for the correct evaluation of charge transfer, energy loss and straggling during ion-surface coll...
International Nuclear Information System (INIS)
Hansen, F.Y.
1978-01-01
This program calculates the final pair distribution functions of non-crystalline materials on the basis of the experimental structure factor as calculated in part I and the parameters of the small distance part of the pair distribution function as calculated in part II. In this way, truncation error may be eliminated from the final pair distribution function. The calculations with this program depend on the results of calculations with the programs described in parts I and II. The final pair distribution function is calculated by a Fourier transform of a combination of an experimental structure factor and a model structure factor. The storage requirement depends on the number of data points in the structure factor, the number of data points in the final pair distribution function and the number of peaks necessary to resolve the small distance part of the pair distribution function. In the present set-up a storage requirement is set to 8860 words which is estimated to be satisfactory for a large number of cases. (Auth.)
Directory of Open Access Journals (Sweden)
Chenyang Shi
2017-09-01
Full Text Available Using high-brilliance high-energy synchrotron X-ray radiation, for the first time the total scattering of a thin organic glass film deposited on a strongly scattering inorganic substrate has been measured in transmission mode. The organic thin film was composed of the weakly scattering pharmaceutical substance indomethacin in the amorphous state. The film was 130 µm thick atop a borosilicate glass substrate of equal thickness. The atomic pair distribution function derived from the thin-film measurement is in excellent agreement with that from bulk measurements. This ability to measure the total scattering of amorphous organic thin films in transmission will enable accurate in situ structural studies for a wide range of materials.
Development of pair distribution function analysis
International Nuclear Information System (INIS)
Vondreele, R.; Billinge, S.; Kwei, G.; Lawson, A.
1996-01-01
This is the final report of a 3-year LDRD project at LANL. It has become more and more evident that structural coherence in the CuO 2 planes of high-T c superconducting materials over some intermediate length scale (nm range) is important to superconductivity. In recent years, the pair distribution function (PDF) analysis of powder diffraction data has been developed for extracting structural information on these length scales. This project sought to expand and develop this technique, use it to analyze neutron powder diffraction data, and apply it to problems. In particular, interest is in the area of high-T c superconductors, although we planned to extend the study to the closely related perovskite ferroelectric materials andother materials where the local structure affects the properties where detailed knowledge of the local and intermediate range structure is important. In addition, we planned to carry out single crystal experiments to look for diffuse scattering. This information augments the information from the PDF
International Nuclear Information System (INIS)
Meral, Cagla; Benmore, C.J.; Monteiro, Paulo J.M.
2011-01-01
Significant progress was achieved with the application of Rietveld method to characterize the crystalline phases in portland cement paste. However, to obtain detailed information on the amorphous or poorly crystalline phases, it is necessary to analyze the total scattering data. The pair distribution function (PDF) method has been successfully used in the study of liquids and amorphous solids. The method takes the Sine Fourier transform of the measured structure factor over a wide momentum transfer range, providing a direct measure of the probability of finding an atom surrounding a central atom at a radial distance away. The obtained experimental characteristic distances can be also used to validate the predictions by the theoretical models, such as, molecular dynamics, ab initio simulations and density functional theory. The paper summarizes recent results of PDF analysis on silica fume, rice husk ash, fly ash, ASR gel, C-S-H and geopolymers.
Properties of atomic pairs produced in the collision of Bose-Einstein condensates
Ziń, Paweł; Wasak, Tomasz
2018-04-01
During a collision of Bose-Einstein condensates correlated pairs of atoms are emitted. The scattered massive particles, in analogy to photon pairs in quantum optics, might be used in the violation of Bell's inequalities, demonstration of Einstein-Podolsky-Rosen correlations, or sub-shot-noise atomic interferometry. Usually, a theoretical description of the collision relies either on stochastic numerical methods or on analytical treatments involving various approximations. Here, we investigate elastic scattering of atoms from colliding elongated Bose-Einstein condensates within the Bogoliubov method, carefully controlling performed approximations at every stage of the analysis. We derive expressions for the one- and two-particle correlation functions. The obtained formulas, which relate the correlation functions to the condensate wave function, are convenient for numerical calculations. We employ the variational approach for condensate wave functions to obtain analytical expressions for the correlation functions, whose properties we analyze in detail. We also present a useful semiclassical model of the process and compare its results with the quantum one. The results are relevant for recent experiments with excited helium atoms, as well as for planned experiments aimed at investigating the nonclassicality of the system.
Meral, Cagla
2011-07-01
Significant progress was achieved with the application of Rietveld method to characterize the crystalline phases in portland cement paste. However, to obtain detailed information on the amorphous or poorly crystalline phases, it is necessary to analyze the total scattering data. The pair distribution function (PDF) method has been successfully used in the study of liquids and amorphous solids. The method takes the Sine Fourier transform of the measured structure factor over a wide momentum transfer range, providing a direct measure of the probability of finding an atom surrounding a central atom at a radial distance away. The obtained experimental characteristic distances can be also used to validate the predictions by the theoretical models, such as, molecular dynamics, ab initio simulations and density functional theory. The paper summarizes recent results of PDF analysis on silica fume, rice husk ash, fly ash, ASR gel, C-S-H and geopolymers. © 2011 Elsevier Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Perrin, A
2007-11-15
In this thesis, we report on the observation of pairs of correlated atoms produced in the collision of two Bose-Einstein condensates of metastable helium. Three laser beams perform a Raman transfer which extracts the condensate from the magnetic trap and separates it into two parts with opposite mean momenta. While the condensates propagate, elastic scattering of pairs of atoms occurs, whose momenta satisfy energy and momentum conservation laws. Metastable helium atoms large internal energy allows the use of a position-sensitive, single-atom detector which permits a three-dimensional reconstruction of the scattered atoms'momenta. The statistics of these momenta show correlations for atoms with opposite momenta. The measured correlation volume can be understood from the uncertainty-limited momentum spread of the colliding condensates. This interpretation is confirmed by the observation of the momentum correlation function for two atoms scattered in the same direction. This latter effect is a manifestation of the Hanbury Brown-Twiss effect for indistinguishable bosons. Such a correlated-atom-pair source is a first step towards experiments in which one would like to confirm the pairs'entanglement. (author)
Energy Technology Data Exchange (ETDEWEB)
Perrin, A
2007-11-15
In this thesis, we report on the observation of pairs of correlated atoms produced in the collision of two Bose-Einstein condensates of metastable helium. Three laser beams perform a Raman transfer which extracts the condensate from the magnetic trap and separates it into two parts with opposite mean momenta. While the condensates propagate, elastic scattering of pairs of atoms occurs, whose momenta satisfy energy and momentum conservation laws. Metastable helium atoms large internal energy allows the use of a position-sensitive, single-atom detector which permits a three-dimensional reconstruction of the scattered atoms'momenta. The statistics of these momenta show correlations for atoms with opposite momenta. The measured correlation volume can be understood from the uncertainty-limited momentum spread of the colliding condensates. This interpretation is confirmed by the observation of the momentum correlation function for two atoms scattered in the same direction. This latter effect is a manifestation of the Hanbury Brown-Twiss effect for indistinguishable bosons. Such a correlated-atom-pair source is a first step towards experiments in which one would like to confirm the pairs'entanglement. (author)
International Nuclear Information System (INIS)
Perrin, A.
2007-11-01
In this thesis, we report on the observation of pairs of correlated atoms produced in the collision of two Bose-Einstein condensates of metastable helium. Three laser beams perform a Raman transfer which extracts the condensate from the magnetic trap and separates it into two parts with opposite mean momenta. While the condensates propagate, elastic scattering of pairs of atoms occurs, whose momenta satisfy energy and momentum conservation laws. Metastable helium atoms large internal energy allows the use of a position-sensitive, single-atom detector which permits a three-dimensional reconstruction of the scattered atoms'momenta. The statistics of these momenta show correlations for atoms with opposite momenta. The measured correlation volume can be understood from the uncertainty-limited momentum spread of the colliding condensates. This interpretation is confirmed by the observation of the momentum correlation function for two atoms scattered in the same direction. This latter effect is a manifestation of the Hanbury Brown-Twiss effect for indistinguishable bosons. Such a correlated-atom-pair source is a first step towards experiments in which one would like to confirm the pairs'entanglement. (author)
Orientation-dependent backbone-only residue pair scoring functions for fixed backbone protein design
Directory of Open Access Journals (Sweden)
Bordner Andrew J
2010-04-01
Full Text Available Abstract Background Empirical scoring functions have proven useful in protein structure modeling. Most such scoring functions depend on protein side chain conformations. However, backbone-only scoring functions do not require computationally intensive structure optimization and so are well suited to protein design, which requires fast score evaluation. Furthermore, scoring functions that account for the distinctive relative position and orientation preferences of residue pairs are expected to be more accurate than those that depend only on the separation distance. Results Residue pair scoring functions for fixed backbone protein design were derived using only backbone geometry. Unlike previous studies that used spherical harmonics to fit 2D angular distributions, Gaussian Mixture Models were used to fit the full 3D (position only and 6D (position and orientation distributions of residue pairs. The performance of the 1D (residue separation only, 3D, and 6D scoring functions were compared by their ability to identify correct threading solutions for a non-redundant benchmark set of protein backbone structures. The threading accuracy was found to steadily increase with increasing dimension, with the 6D scoring function achieving the highest accuracy. Furthermore, the 3D and 6D scoring functions were shown to outperform side chain-dependent empirical potentials from three other studies. Next, two computational methods that take advantage of the speed and pairwise form of these new backbone-only scoring functions were investigated. The first is a procedure that exploits available sequence data by averaging scores over threading solutions for homologs. This was evaluated by applying it to the challenging problem of identifying interacting transmembrane alpha-helices and found to further improve prediction accuracy. The second is a protein design method for determining the optimal sequence for a backbone structure by applying Belief Propagation
Atom-Pair Kinetics with Strong Electric-Dipole Interactions.
Thaicharoen, N; Gonçalves, L F; Raithel, G
2016-05-27
Rydberg-atom ensembles are switched from a weakly to a strongly interacting regime via adiabatic transformation of the atoms from an approximately nonpolar into a highly dipolar quantum state. The resultant electric dipole-dipole forces are probed using a device akin to a field ion microscope. Ion imaging and pair-correlation analysis reveal the kinetics of the interacting atoms. Dumbbell-shaped pair-correlation images demonstrate the anisotropy of the binary dipolar force. The dipolar C_{3} coefficient, derived from the time dependence of the images, agrees with the value calculated from the permanent electric-dipole moment of the atoms. The results indicate many-body dynamics akin to disorder-induced heating in strongly coupled particle systems.
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.
Awale, Mahendra; Jin, Xian; Reymond, Jean-Louis
2015-01-01
Tools to explore large compound databases in search for analogs of query molecules provide a strategically important support in drug discovery to help identify available analogs of any given reference or hit compound by ligand based virtual screening (LBVS). We recently showed that large databases can be formatted for very fast searching with various 2D-fingerprints using the city-block distance as similarity measure, in particular a 2D-atom pair fingerprint (APfp) and the related category extended atom pair fingerprint (Xfp) which efficiently encode molecular shape and pharmacophores, but do not perceive stereochemistry. Here we investigated related 3D-atom pair fingerprints to enable rapid stereoselective searches in the ZINC database (23.2 million 3D structures). Molecular fingerprints counting atom pairs at increasing through-space distance intervals were designed using either all atoms (16-bit 3DAPfp) or different atom categories (80-bit 3DXfp). These 3D-fingerprints retrieved molecular shape and pharmacophore analogs (defined by OpenEye ROCS scoring functions) of 110,000 compounds from the Cambridge Structural Database with equal or better accuracy than the 2D-fingerprints APfp and Xfp, and showed comparable performance in recovering actives from decoys in the DUD database. LBVS by 3DXfp or 3DAPfp similarity was stereoselective and gave very different analogs when starting from different diastereomers of the same chiral drug. Results were also different from LBVS with the parent 2D-fingerprints Xfp or APfp. 3D- and 2D-fingerprints also gave very different results in LBVS of folded molecules where through-space distances between atom pairs are much shorter than topological distances. 3DAPfp and 3DXfp are suitable for stereoselective searches for shape and pharmacophore analogs of query molecules in large databases. Web-browsers for searching ZINC by 3DAPfp and 3DXfp similarity are accessible at www.gdb.unibe.ch and should provide useful assistance to drug
Model for pairing phase transition in atomic nuclei
International Nuclear Information System (INIS)
Schiller, A.; Guttormsen, M.; Hjorth-Jensen, M.; Rekstad, J.; Siem, S.
2002-01-01
A model is developed which allows the investigation and classification of the pairing phase transition in atomic nuclei. The regions of the parameter space are discussed for which a pairing phase transition can be observed. The model parameters include number of particles, attenuation of pairing correlations with increasing seniority, single-particle level spacing, and pairing gap parameter
Terban, Maxwell W.
Nanoscale structural characterization is critical to understanding the physical underpinnings of properties and behavior in materials with technological applications. The work herein shows how the pair distribution function technique can be applied to x-ray total scattering data for material systems which weakly scatter x-rays, a typically difficult task due to the poor signal-to-noise obtained from the structures of interest. Characterization and structural modeling are demonstrated for a variety of molecular and porous systems, along with the detection and characterization of disordered, minority phases and components. In particular, reliable detection and quantitative analysis are demonstrated for nanocrystals of an active pharmaceutical ingredient suspended in dilute solution down to a concentration of 0.25 wt. %, giving a practical limit of detection for ordered nanoscale phases within a disordered matrix. Further work shows that minority nanocrystalline phases can be detected, fingerprinted, and modeled for mixed crystalline and amorphous systems of small molecules and polymers. The crystallization of amorphous lactose is followed under accelerated aging conditions. Melt quenching is shown to produce a different local structure than spray drying or freeze drying, along with increased resistance to crystallization. The initial phases which form in the spray dried formulation are identified as a mixture of polymorphs different from the final alpha-lactose monohydrate form. Hard domain formation in thermoplastic polyurethanes is also characterized as a function of methylene diphenyl diisocyanate and butanediol component ratio, showing that distinct and different hard phase structures can form and are solved by indexing with structures derived from molecular dynamics relaxation. In both cases, phase fractions can be quantified in the mixed crystalline and amorphous systems by fitting with both standards or structure models. Later chapters, demonstrate pair
International Nuclear Information System (INIS)
Hansen, F.Y.
1978-01-01
The pair distribution function of non-crystalline materials may be obtained by a Fourier transform of the structure factor as calculated in part I of this series. The structure factor is often limited in the sense that it shows significant oscillations at the maximal wave vector transfers obtainable. The Fourier transform of such functions, therefore, introduces truncation errors in the transformed function. With this program a parametrization of the small distance part of the pair distribution function is obtained according to a method described which enables one to eliminate truncation error from the final pair distribution function. It is based on a least squares fit calculation of the small distance part of the pair distribution function obtained by a direct transform of the experimental structure factor and a model pair distribution function obtained from a model structure factor truncated at the same wave vector transfers as the experimental factor. The storage requirement depends on the number of structure factor data and the number of peaks used to resolve the small distance part of the pair distribution function. In the present set-up storage requirement is set to 15083 words, which is estimated to be satisfactory for a large number of cases. (Auth.)
Energy Technology Data Exchange (ETDEWEB)
Sutter, John P., E-mail: john.sutter@diamond.ac.uk; Chater, Philip A.; Hillman, Michael R.; Keeble, Dean S.; Wilhelm, Heribert [Diamond Light Source Ltd, Harwell Science and Innovation Campus, Chilton, Didcot, Oxfordshire OX11 0DE (United Kingdom); Tucker, Matt G. [Diamond Light Source Ltd, Harwell Science and Innovation Campus, Chilton, Didcot, Oxfordshire OX11 0DE (United Kingdom); ISIS Neutron and Muon Source, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxfordshire OX11 0QX (United Kingdom)
2016-07-27
The I15-1 beamline, the new side station to I15 at the Diamond Light Source, will be dedicated to the collection of atomic pair distribution function data. A Laue monochromator will be used consisting of three silicon crystals diffracting X-rays at a common Bragg angle of 2.83°. The crystals use the (1 1 1), (2 2 0), and (3 1 1) planes to select 40, 65, and 76 keV X-rays, respectively, and will be bent meridionally to horizontally focus the selected X-rays onto the sample. All crystals will be cut to the same optimized asymmetry angle in order to eliminate image broadening from the crystal thickness. Finite element calculations show that the thermal distortion of the crystals will affect the image size and bandpass.
International Nuclear Information System (INIS)
Sutter, John P.; Chater, Philip A.; Hillman, Michael R.; Keeble, Dean S.; Wilhelm, Heribert; Tucker, Matt G.
2016-01-01
The I15-1 beamline, the new side station to I15 at the Diamond Light Source, will be dedicated to the collection of atomic pair distribution function data. A Laue monochromator will be used consisting of three silicon crystals diffracting X-rays at a common Bragg angle of 2.83°. The crystals use the (1 1 1), (2 2 0), and (3 1 1) planes to select 40, 65, and 76 keV X-rays, respectively, and will be bent meridionally to horizontally focus the selected X-rays onto the sample. All crystals will be cut to the same optimized asymmetry angle in order to eliminate image broadening from the crystal thickness. Finite element calculations show that the thermal distortion of the crystals will affect the image size and bandpass.
Construction of high-dimensional neural network potentials using environment-dependent atom pairs.
Jose, K V Jovan; Artrith, Nongnuch; Behler, Jörg
2012-05-21
An accurate determination of the potential energy is the crucial step in computer simulations of chemical processes, but using electronic structure methods on-the-fly in molecular dynamics (MD) is computationally too demanding for many systems. Constructing more efficient interatomic potentials becomes intricate with increasing dimensionality of the potential-energy surface (PES), and for numerous systems the accuracy that can be achieved is still not satisfying and far from the reliability of first-principles calculations. Feed-forward neural networks (NNs) have a very flexible functional form, and in recent years they have been shown to be an accurate tool to construct efficient PESs. High-dimensional NN potentials based on environment-dependent atomic energy contributions have been presented for a number of materials. Still, these potentials may be improved by a more detailed structural description, e.g., in form of atom pairs, which directly reflect the atomic interactions and take the chemical environment into account. We present an implementation of an NN method based on atom pairs, and its accuracy and performance are compared to the atom-based NN approach using two very different systems, the methanol molecule and metallic copper. We find that both types of NN potentials provide an excellent description of both PESs, with the pair-based method yielding a slightly higher accuracy making it a competitive alternative for addressing complex systems in MD simulations.
DEFF Research Database (Denmark)
Hansen, Flemming Yssing; Carneiro, K.
1977-01-01
A simple numerical method, which unifies the calculation of structure factors from X-ray or neutron diffraction data with the calculation of reliable pair distribution functions, is described. The objective of the method is to eliminate systematic errors in the normalizations and corrections of t...
Pair distribution functions of carbonaceous solids, determined using energy filtered diffraction
International Nuclear Information System (INIS)
Petersen, T.C.; McCulloch, D.G.
2002-01-01
Full text: The structures of various carbonaceous solids were investigated using energy filtered diffraction patterns collected in two dimensions using a Gatan Imaging Filter (GIF). In order to reduce multiple scattering and eliminate inelastic scattering effects, the diffraction patterns were filtered using an energy -selecting slit around the zero-loss peak. Software has been developed for the extraction of radially averaged pair distributions functions from the diffraction data. This entails finding the position of the un-scattered beam, radially averaging the two dimensional intensity distributions, calibrating the resulting one dimensional intensity profiles and finally normalising the data to obtain structure factors. Techniques for improving and assessing data quality, pertaining to the methodology used here, have also been explored. Structure factors and radial distribution functions generated using this analysis will be discussed and, for the commercial V25 glassy carbon samples, compared to previous, work of one of the authors'. In order to answer questions regarding multiple scattering effects and structural homogeneity of the samples, neutron scattering was performed on the Medium Resolution Powder Diffractometer (MRPD), at the Australian Nuclear Science and Technology's (ANSTO) facility. A critical comparison of the neutron scattering and electron diffraction generated structure factors will be presented. Copyright (2002) Australian Society for Electron Microscopy Inc
International Nuclear Information System (INIS)
Matsuoka, Daisuke; Nakasako, Masayoshi
2013-01-01
Highlights: ► Empirical distribution functions of water molecules in protein hydration are made. ► The functions measure how hydrogen-bond geometry in hydration deviate from ideal. ► The functions assess experimentally identified hydration structures of protein. - Abstract: To quantitatively characterize hydrogen-bond geometry in local hydration structures of proteins, we constructed a set of empirical hydration distribution functions (EHDFs) around polar protein atoms in the main and side chains of 11 types of hydrophilic amino acids (D. Matsuoka, M. Nakasako, Journal of Physical Chemistry B 113 (2009) 11274). The functions are the ensemble average of possible hydration patterns around the polar atoms, and describe the anisotropic deviations from ideal hydrogen bond geometry. In addition, we defined probability distribution function of hydration water molecules (PDFH) over the hydrophilic surface of a protein as the sum of EHDFs of solvent accessible polar protein atoms. The functions envelop most of hydration sites identified in crystal structures of proteins (D. Matsuoka, M. Nakasako, Journal of Physical Chemistry B 114 (2010) 4652). Here we propose the application of EHDFs and PDFHs for assessing crystallographically identified hydration structures of proteins. First, hydration water molecules are classified with respect to the geometry in hydrogen bonds in referring EHDFs. Difference Fourier electron density map weighted by PDFH of protein is proposed to identify easily density peaks as candidates of hydration water molecules. A computer program implementing those ideas was developed and used for assessing hydration structures of proteins
Efimov, D K
2016-05-18
We consider Penning ionization of Rydberg atom pairs as an Auger-type process induced by the dipole-dipole interaction and employ semiclassical formulae for dipole transitions to calculate the autoionization width as a function of the principal quantum numbers, n d, n i, of both atoms. While for symmetric atom pairs with the well-known increase of the autoionization width with increasing n 0 is obtained, the result for asymmetric pairs is counterintuitive - for a fixed n i of the ionizing atom of the pair, the autoionization width strongly increases with decreasing n d of the de-excited atom. For H Rydberg atoms this increase reaches two orders of magnitude at the maximum of the n d dependence, and the same type of counterintuitive behavior is exhibited also by Na, Rb and Cs atoms. This is a purely quantum-mechanical effect, which points towards existence of optimal (we call them \\'Tom\\' and \\'Jerry\\' for \\'big\\' and \\'small\\') pairs of Rydberg atoms with respect to autoionization efficiency. Building on the model of population redistribution in cold Rydberg gases proposed in [1], we demonstrate that population evolution following the initial laser excitation of Rydberg atoms in state n 0 would eventually lead to the formation of such Tom-Jerry pairs with which feature autoionization widths that are enhanced by several orders of magnitude compared to that of two atoms in the initial laser-excited state n 0. We also show that in the high-density regime of cold Rydberg gas experiments the ionization rate of Tom-Jerry pairs can be substantially larger than the blackbody radiation-induced photoionization rate. © 2016 IOP Publishing Ltd.
Machine Learning Estimation of Atom Condensed Fukui Functions.
Zhang, Qingyou; Zheng, Fangfang; Zhao, Tanfeng; Qu, Xiaohui; Aires-de-Sousa, João
2016-02-01
To enable the fast estimation of atom condensed Fukui functions, machine learning algorithms were trained with databases of DFT pre-calculated values for ca. 23,000 atoms in organic molecules. The problem was approached as the ranking of atom types with the Bradley-Terry (BT) model, and as the regression of the Fukui function. Random Forests (RF) were trained to predict the condensed Fukui function, to rank atoms in a molecule, and to classify atoms as high/low Fukui function. Atomic descriptors were based on counts of atom types in spheres around the kernel atom. The BT coefficients assigned to atom types enabled the identification (93-94 % accuracy) of the atom with the highest Fukui function in pairs of atoms in the same molecule with differences ≥0.1. In whole molecules, the atom with the top Fukui function could be recognized in ca. 50 % of the cases and, on the average, about 3 of the top 4 atoms could be recognized in a shortlist of 4. Regression RF yielded predictions for test sets with R(2) =0.68-0.69, improving the ability of BT coefficients to rank atoms in a molecule. Atom classification (as high/low Fukui function) was obtained with RF with sensitivity of 55-61 % and specificity of 94-95 %. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
2011-01-01
Background The performance of 3D-based virtual screening similarity functions is affected by the applied conformations of compounds. Therefore, the results of 3D approaches are often less robust than 2D approaches. The application of 3D methods on multiple conformer data sets normally reduces this weakness, but entails a significant computational overhead. Therefore, we developed a special conformational space encoding by means of Gaussian mixture models and a similarity function that operates on these models. The application of a model-based encoding allows an efficient comparison of the conformational space of compounds. Results Comparisons of our 4D flexible atom-pair approach with over 15 state-of-the-art 2D- and 3D-based virtual screening similarity functions on the 40 data sets of the Directory of Useful Decoys show a robust performance of our approach. Even 3D-based approaches that operate on multiple conformers yield inferior results. The 4D flexible atom-pair method achieves an averaged AUC value of 0.78 on the filtered Directory of Useful Decoys data sets. The best 2D- and 3D-based approaches of this study yield an AUC value of 0.74 and 0.72, respectively. As a result, the 4D flexible atom-pair approach achieves an average rank of 1.25 with respect to 15 other state-of-the-art similarity functions and four different evaluation metrics. Conclusions Our 4D method yields a robust performance on 40 pharmaceutically relevant targets. The conformational space encoding enables an efficient comparison of the conformational space. Therefore, the weakness of the 3D-based approaches on single conformations is circumvented. With over 100,000 similarity calculations on a single desktop CPU, the utilization of the 4D flexible atom-pair in real-world applications is feasible. PMID:21733172
Wave functions and two-electron probability distributions of the Hooke's-law atom and helium
International Nuclear Information System (INIS)
O'Neill, Darragh P.; Gill, Peter M. W.
2003-01-01
The Hooke's-law atom (hookium) provides an exactly soluble model for a two-electron atom in which the nuclear-electron Coulombic attraction has been replaced by a harmonic one. Starting from the known exact position-space wave function for the ground state of hookium, we present the momentum-space wave function. We also look at the intracules, two-electron probability distributions, for hookium in position, momentum, and phase space. These are compared with the Hartree-Fock results and the Coulomb holes (the difference between the exact and Hartree-Fock intracules) in position, momentum, and phase space are examined. We then compare these results with analogous results for the ground state of helium using a simple, explicitly correlated wave function
Phase transitions and pairing signature in strongly attractive Fermi atomic gases
International Nuclear Information System (INIS)
Guan, X. W.; Bortz, M.; Batchelor, M. T.; Lee, C.
2007-01-01
We investigate pairing and quantum phase transitions in the one-dimensional two-component Fermi atomic gas in an external field. The phase diagram, critical fields, magnetization, and local pairing correlation are obtained analytically via the exact thermodynamic Bethe ansatz solution. At zero temperature, bound pairs of fermions with opposite spin states form a singlet ground state when the external field H c1 . A completely ferromagnetic phase without pairing occurs when the external field H>H c2 . In the region H c1 c2 , we observe a mixed phase of matter in which paired and unpaired atoms coexist. The phase diagram is reminiscent of that of type II superconductors. For temperatures below the degenerate temperature and in the absence of an external field, the bound pairs of fermions form hard-core bosons obeying generalized exclusion statistics
High-pressure pair distribution function (PDF) measurement using high-energy focused x-ray beam
Energy Technology Data Exchange (ETDEWEB)
Hong, Xinguo, E-mail: xhong@bnl.gov; Weidner, Donald J. [Mineral Physics Institute, Stony Brook University, Stony Brook, NY 11794 (United States); Ehm, Lars [Mineral Physics Institute, Stony Brook University, Stony Brook, NY 11794 (United States); National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973 (United States); Zhong, Zhong; Ghose, Sanjit [National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973 (United States); Duffy, Thomas S. [Department of Geosciences, Princeton University, Princeton, NJ 08544 (United States)
2016-07-27
In this paper, we report recent development of the high-pressure pair distribution function (HP-PDF) measurement technique using a focused high-energy X-ray beam coupled with a diamond anvil cell (DAC). The focusing optics consist of a sagittally bent Laue monochromator and Kirkpatrick-Baez (K–B) mirrors. This combination provides a clean high-energy X-ray beam suitable for HP-PDF research. Demonstration of the HP-PDF technique for nanocrystalline platinum under quasi-hydrostatic condition above 30 GPa is presented.
Energy Technology Data Exchange (ETDEWEB)
Swartz, Morris L. [Chicago U.
1984-03-01
The production of massive muon pairs in 225 GeV/c $\\pi^-$-nucleus interactions has been studied for four nuclear targets. The dependence of the integrated cross section on atomic mass A was measured by comparing the relative cross sections for the targets. If one assumes that the cross section is proportional to $A^{\\alpha}$, a value of a= 1.00±0.06 for muon pair masses between 4.0 GeV/$c^2$ and 8.5 GeV/$c^2$ was obtained. The Drell-Yan model predicts an additional dependence of the cross section on the proton fraction Z/A. If one parametizes the integrated cross I section as a(Z/A)$A^{\\alpha}$ where $\\sigma$(Z/A) is a function of the proton fraction that includes the effects of the Drell-Yan model, Fermi Motion, and secondary pion production, a value of $\\alpha$ = 0.97±0.06 was obtained. The dependence of the muon pair transverse momentum distribution on nuclear size was also investigated. The second moment of the distribution <$P^2_T$> was found to be consistent with being independent of nuclear size. If the dependence of <$P^2_T$> on nuclear size is parametized as <$P^2_T$> = a + b $A^{1/3}$ the coefficient b was found to be less than 0.015 $GeV^2$/$c^2$ with 90% confidence.
Wigner function and tomogram of the pair coherent state
International Nuclear Information System (INIS)
Meng, Xiang-Guo; Wang, Ji-Suo; Fan, Hong-Yi
2007-01-01
Using the entangled state representation of Wigner operator and the technique of integration within an ordered product (IWOP) of operators, the Wigner function of the pair coherent state is derived. The variations of the Wigner function with the parameters α and q in the ρ-γ phase space are discussed. The physical meaning of the Wigner function for the pair coherent state is given by virtue of its marginal distributions. The tomogram of the pair coherent state is calculated with the help of the Radon transform between the Wigner operator and the projection operator of the entangled state |η 1 ,η 2 ,τ 1 ,τ 2 >
Exotic pairing in 1D spin-3/2 atomic gases with SO(4 symmetry
Directory of Open Access Journals (Sweden)
Yuzhu Jiang
2015-06-01
Full Text Available Tuning interactions in the spin singlet and quintet channels of two colliding atoms could change the symmetry of the one-dimensional spin-3/2 fermionic systems of ultracold atoms while preserving the integrability. Here we find a novel SO(4 symmetry integrable point in the spin-3/2 Fermi gas and derive the exact solution of the model using the Bethe ansatz. In contrast to the model with SU(4 and SO(5 symmetries, the present model with SO(4 symmetry preserves spin singlet and quintet Cooper pairs in two sets of SU(2⊗SU(2 spin subspaces. We obtain full phase diagrams, including the Fulde–Ferrel–Larkin–Ovchinnikov like pair correlations, spin excitations and quantum criticality through the generalized Yang–Yang thermodynamic equations. In particular, various correlation functions are calculated by using finite-size corrections in the frame work of conformal field theory. Moreover, within the local density approximation, we further find that spin singlet and quintet pairs form subtle multiple shell structures in density profiles of the trapped gas.
International Nuclear Information System (INIS)
Harrison, D.E. Jr.; Webb, R.P.
1982-01-01
A molecular dynamics simulation has been used to investigate the sensitivity of atom ejection processes from a single-crystal target to changes in the atom-atom potential function. Four functions, three constructed from the Gibson potentials with Anderman's attractive well, and a fouth specifically developed for this investigation, were investigated in the Cu/Ar/sup +/ system over a range of ion energies from 1.0 to 10.0 kev with the KSE-B ion-atom potential. Well depths and widths also were varied. The calculations were done at normal incidence on the fcc (111) crystal orientation. Computed values were compared with experimental data where they exist. Sputtering yields, multimer yield ratios, layer yield ratios, and the ejected atom energy distribution vary systematically with the parameters of the atom-atom potential function. Calculations also were done with the modified Moliere function. Yields and other properties fall exactly into the positions predicted from the Born-Mayer function analysis. Simultaneous analysis of the ejected atom energy distribution and the ion energy dependence of the sputtering yield curve provides information about the parameters of both the wall and well portions of the atom-atom potential function
Ultrabright, narrow-band photon-pair source for atomic quantum memories
Tsai, Pin-Ju; Chen, Ying-Cheng
2018-06-01
We demonstrate an ultrabright, narrow-band and frequency-tunable photon-pair source based on cavity-enhanced spontaneous parametric down conversion (SPDC) which is compatible with atomic transition of rubidium D 2-line (780 nm) or cesium D 2-line (852 nm). With the pump beam alternating between a high and a low power phase, the output is switching between the optical parametric oscillator (OPO) and photon-pair generation mode. We utilize the OPO output light to lock the cavity length to maintain the double resonances of signal and idler, as well as to lock the signal frequency to cesium atomic transition. With a type-II phase matching and a double-passed pump scheme such that the cluster frequency spacing is larger than the SPDC bandwidth, the photon-pair output is in a nearly single-mode operation as confirmed by a scanning Fabry–Perot interferometer with its output detected by a photomultiplier. The achieved generation and detection rates are 7.24× {10}5 and 6142 s‑1 mW‑1, respectively. The correlation time of the photon pair is 21.6(2.2) ns, corresponding to a bandwidth of 2π × 6.6(6) MHz. The spectral brightness is 1.06× {10}5 s‑1 mW‑1 MHz‑1. This is a relatively high value under a single-mode operation with the cavity-SPDC scheme. The generated single photons can be readily used in experiments related to atomic quantum memories.
International Nuclear Information System (INIS)
Hansen, F.Y.; Carneiro, K.
1977-01-01
A simple numerical method, which unifies the calculation of structure factors from X-ray or neutron diffraction data with the calculation of reliable pair distribution functions, is described. The objective of the method is to eliminate systematic errors in the normalizations and corrections of the intensity data, and to provide measures for elimination of truncation errors without losing information about the structure. This is done through an iterative procedure, which is easy to program for computers. The applications to amorphous selenium and diatomic liquids are briefly reviewed. (Auth.)
A method for ion distribution function evaluation using escaping neutral atom kinetic energy samples
International Nuclear Information System (INIS)
Goncharov, P.R.; Ozaki, T.; Veshchev, E.A.; Sudo, S.
2008-01-01
A reliable method to evaluate the probability density function for escaping atom kinetic energies is required for the analysis of neutral particle diagnostic data used to study the fast ion distribution function in fusion plasmas. Digital processing of solid state detector signals is proposed in this paper as an improvement of the simple histogram approach. Probability density function for kinetic energies of neutral particles escaping from the plasma has been derived in a general form taking into account the plasma ion energy distribution, electron capture and loss rates, superposition along the diagnostic sight line and the magnetic surface geometry. A pseudorandom number generator has been realized that enables a sample of escaping neutral particle energies to be simulated for given plasma parameters and experimental conditions. Empirical probability density estimation code has been developed and tested to reconstruct the probability density function from simulated samples assuming. Maxwellian and classical slowing down plasma ion energy distribution shapes for different temperatures and different slowing down times. The application of the developed probability density estimation code to the analysis of experimental data obtained by the novel Angular-Resolved Multi-Sightline Neutral Particle Analyzer has been studied to obtain the suprathermal particle distributions. The optimum bandwidth parameter selection algorithm has also been realized. (author)
Wood, Suzannah Rebecca
Navigating the synthesis landscape poses many challenges when developing novel solid state materials. Advancements in both synthesis and characterization are necessary to facilitate the targeting of specific materials. This dissertation discusses the formation of chalcogenide heterostructures and their properties in the first part and the development of thin film pair distribution function analysis (tfPDF) in the second part. The heterostructures were formed by the self-assembly of designed precursors deposited by physical vapor deposition in a modulated elemental reactants approach, which provides the control and predictability to synthesis. Specifically, a series of (BiSe)1+delta(TiSe2) n, where n = 2,3,&4, were synthesized to explore the extent of charge transfer from the BiSe to TiSe2 layers. To further explore the role Bi plays in charge donation, a family of structurally similar compounds, (Bix Sn1-xSe)1+deltaTiSe2, where 0≥x≥1, were synthesized and characterized. Electrical measurements show doping efficiency decreases as x increases, correlated with the structural distortion and the formation of periodic antiphase boundaries containing Bi-Bi pairs. The first heterostructures composed of three unique structural types were synthesized and Bi2Se3 layer thickness was used to tune electrical properties and further explore charge transfer. To better understand the potential energy landscape on which these kinetically stable compounds exist, two investigations were undertaken. The first was a study of the formation and subsequent decomposition of [(BiSe)1+delta]n(TiSe2)n compounds, where n= 2&3, the second an investigation of precursor structure for thermodynamically stable FeSb2 and kinetically stable FeSb3. The second section describes the development of thin film pair distribution function analysis, a technique in which total scattering data for pair distribution function (PDF) analysis is obtained from thin films, suitable for local structure analysis
International Nuclear Information System (INIS)
Burnell, Victoria A.; Readman, Jennifer E.; Tang, Chiu C.; Parker, Julia E.; Thompson, Stephen P.; Hriljac, Joseph A.
2010-01-01
Crystalline metal (IV) phosphates with variable zirconium-to-titanium molar ratios of general formula (Ti 1-x Zr x )(HPO 4 ) 2 .H 2 O have been prepared by precipitation of soluble salts of the metals with phosphoric acid and heating the amorphous solids in 12 M H 3 PO 4 in an autoclave. The new materials are structurally characterised by Rietveld analysis of synchrotron X-ray powder diffraction data and pair distribution function (PDF) analysis of high energy synchrotron X-ray total scattering data. A broad range of zirconium-titanium phosphate solid solutions were formed showing isomorphous substitution of titanium by zirconium in the α-titanium phosphate lattice and vice versa for titanium substitution into the α-zirconium phosphate lattice. In both cases the solubility is partial with the coexistence of two substituted phases observed in samples with nominal compositions between the solubility limits. - Graphical abstract: Layered phosphates of general formula (Ti 1-x Zr x )(HPO 4 ).H 2 O have been prepared by the hydrothermal treatment of amorphous gels in phosphoric acid and characterised by Rietveld analysis of high resolution synchrotron X-ray powder diffraction data and pair distribution function analysis of high energy synchrotron X-ray total scattering data.
Majorana edge States in atomic wires coupled by pair hopping.
Kraus, Christina V; Dalmonte, Marcello; Baranov, Mikhail A; Läuchli, Andreas M; Zoller, P
2013-10-25
We present evidence for Majorana edge states in a number conserving theory describing a system of spinless fermions on two wires that are coupled by pair hopping. Our analysis is based on a combination of a qualitative low energy approach and numerical techniques using the density matrix renormalization group. In addition, we discuss an experimental realization of pair-hopping interactions in cold atom gases confined in optical lattices.
Dynamic radial distribution function from inelastic neutron scattering
International Nuclear Information System (INIS)
McQueeney, R.J.
1998-01-01
A real-space, local dynamic structure function g(r,ω) is defined from the dynamic structure function S(Q,ω), which can be measured using inelastic neutron scattering. At any particular frequency ω, S(Q,ω) contains Q-dependent intensity oscillations which reflect the spatial distribution and relative displacement directions for the atoms vibrating at that frequency. Information about local and dynamic atomic correlations is obtained from the Fourier transform of these oscillations g(r,ω) at the particular frequency. g(r,ω) can be formulated such that the elastic and frequency-summed limits correspond to the average and instantaneous radial distribution function, respectively, and is thus called the dynamic radial distribution function. As an example, the dynamic radial distribution function is calculated for fcc nickel in a model which considers only the harmonic atomic displacements due to phonons. The results of these calculations demonstrate that the magnitude of the atomic correlations can be quantified and g(r,ω) is a well-defined correlation function. This leads to a simple prescription for investigating local lattice dynamics. copyright 1998 The American Physical Society
International Nuclear Information System (INIS)
Neumann, Martin; Zoppi, Marco
2002-01-01
We have performed extensive path integral Monte Carlo simulations of liquid and solid neon, in order to derive the kinetic energy as well as the single-particle and pair distribution functions of neon atoms in the condensed phases. From the single-particle distribution function n(r) one can derive the momentum distribution and thus obtain an independent estimate of the kinetic energy. The simulations have been carried out using mostly the semiempirical HFD-C2 pair potential by Aziz et al. [R. A. Aziz, W. J. Meath, and A. R. Allnatt, Chem. Phys. 79, 295 (1983)], but, in a few cases, we have also used the Lennard-Jones potential. The differences between the potentials, as measured by the properties investigated, are not very large, especially when compared with the actual precision of the experimental data. The simulation results have been compared with all the experimental information that is available from neutron scattering. The overall agreement with the experiments is very good
Exotic superfluidity and pairing phenomena in atomic Fermi gases in mixed dimensions.
Zhang, Leifeng; Che, Yanming; Wang, Jibiao; Chen, Qijin
2017-10-11
Atomic Fermi gases have been an ideal platform for simulating conventional and engineering exotic physical systems owing to their multiple tunable control parameters. Here we investigate the effects of mixed dimensionality on the superfluid and pairing phenomena of a two-component ultracold atomic Fermi gas with a short-range pairing interaction, while one component is confined on a one-dimensional (1D) optical lattice whereas the other is in a homogeneous 3D continuum. We study the phase diagram and the pseudogap phenomena throughout the entire BCS-BEC crossover, using a pairing fluctuation theory. We find that the effective dimensionality of the non-interacting lattice component can evolve from quasi-3D to quasi-1D, leading to strong Fermi surface mismatch. Upon pairing, the system becomes effectively quasi-two dimensional in the BEC regime. The behavior of T c bears similarity to that of a regular 3D population imbalanced Fermi gas, but with a more drastic departure from the regular 3D balanced case, featuring both intermediate temperature superfluidity and possible pair density wave ground state. Unlike a simple 1D optical lattice case, T c in the mixed dimensions has a constant BEC asymptote.
Multi-user distribution of polarization entangled photon pairs
Energy Technology Data Exchange (ETDEWEB)
Trapateau, J.; Orieux, A.; Diamanti, E.; Zaquine, I., E-mail: isabelle.zaquine@telecom-paristech.fr [LTCI, CNRS, Télécom ParisTech, Université Paris-Saclay, 75013 Paris (France); Ghalbouni, J. [Applied Physics Laboratory, Faculty of Sciences 2, Lebanese University, Campus Fanar, BP 90656 Jdeidet (Lebanon)
2015-10-14
We experimentally demonstrate multi-user distribution of polarization entanglement using commercial telecom wavelength division demultiplexers. The entangled photon pairs are generated from a broadband source based on spontaneous parametric down conversion in a periodically poled lithium niobate crystal using a double path setup employing a Michelson interferometer and active phase stabilisation. We test and compare demultiplexers based on various technologies and analyze the effect of their characteristics, such as losses and polarization dependence, on the quality of the distributed entanglement for three channel pairs of each demultiplexer. In all cases, we obtain a Bell inequality violation, whose value depends on the demultiplexer features. This demonstrates that entanglement can be distributed to at least three user pairs of a network from a single source. Additionally, we verify for the best demultiplexer that the violation is maintained when the pairs are distributed over a total channel attenuation corresponding to 20 km of optical fiber. These techniques are therefore suitable for resource-efficient practical implementations of entanglement-based quantum key distribution and other quantum communication network applications.
On Montgomery's pair correlation conjecture to the zeros of Riedmann zeta function
Li, Pei
2005-01-01
In this thesis, we are interested in Montgomery's pair correlation conjecture which is about the distribution of.the spacings between consecutive zeros of the Riemann Zeta function. Our goal is to explain and study Montgomery's pair correlation conjecture and discuss its connection with the random matrix theory. In Chapter One, we will explain how to define the Ftiemann Zeta function by using the analytic continuation. After this, several classical properties of the Ftiemann Zeta function wil...
Directory of Open Access Journals (Sweden)
Ross E. Whitfield
2016-01-01
Full Text Available The ability of the pair distribution function (PDF analysis of total scattering (TS from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3 has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS. While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations in the B-site—O separation distances and the fact that 〈110〉 Pb2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (½ ½ ½, whereas it was not apparent in the PDF.
Whitfield, Ross E.; Goossens, Darren J.; Welberry, T. Richard
2016-01-01
The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations in the B-site—O separation distances and the fact that 〈110〉 Pb2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (½ ½ ½), whereas it was not apparent in the PDF. PMID:26870378
Transverse Momentum Distributions for Heavy Quark Pairs
Berger, Edmond L.; Meng, Ruibin
1993-01-01
We study the transverse momentum distribution for a $pair$ of heavy quarks produced in hadron-hadron interactions. Predictions for the large transverse momentum region are based on exact order $\\alpha_s^3$ QCD perturbation theory. For the small transverse momentum region, we use techniques for all orders resummation of leading logarithmic contributions associated with initial state soft gluon radiation. The combination provides the transverse momentum distribution of heavy quark pairs for all...
Directory of Open Access Journals (Sweden)
Hannes Rijckaert
2018-06-01
Full Text Available The formation of superconducting nanocomposites from preformed nanocrystals is still not well understood. Here, we examine the case of ZrO2 nanocrystals in a YBa2Cu3O7−x matrix. First we analyzed the preformed ZrO2 nanocrystals via atomic pair distribution function analysis and found that the nanocrystals have a distorted tetragonal crystal structure. Second, we investigated the influence of various surface ligands attached to the ZrO2 nanocrystals on the distribution of metal ions in the pyrolyzed matrix via secondary ion mass spectroscopy technique. The choice of stabilizing ligand is crucial in order to obtain good superconducting nanocomposite films with vortex pinning. Short, carboxylate based ligands lead to poor superconducting properties due to the inhomogeneity of metal content in the pyrolyzed matrix. Counter-intuitively, a phosphonate ligand with long chains does not disturb the growth of YBa2Cu3O7−x. Even more surprisingly, bisphosphonate polymeric ligands provide good colloidal stability in solution but do not prevent coagulation in the final film, resulting in poor pinning. These results thus shed light on the various stages of the superconducting nanocomposite formation.
DEFF Research Database (Denmark)
Chieng, Norman; Trnka, Hjalte; Boetker, Johan
2013-01-01
The purpose of this study is to investigate the use of multivariate data analysis for powder X-ray diffraction-pair-wise distribution function (PXRD-PDF) data to detect phase separation in freeze-dried binary amorphous systems. Polymer-polymer and polymer-sugar binary systems at various ratios were...... freeze-dried. All samples were analyzed by PXRD, transformed to PDF and analyzed by principal component analysis (PCA). These results were validated by differential scanning calorimetry (DSC) through characterization of glass transition of the maximally freeze-concentrate solute (Tg'). Analysis of PXRD......-PDF data using PCA provides a more clear 'miscible' or 'phase separated' interpretation through the distribution pattern of samples on a score plot presentation compared to residual plot method. In a phase separated system, samples were found to be evenly distributed around the theoretical PDF profile...
Determination of the pion structure function from muon-pair production
International Nuclear Information System (INIS)
Newman, C.B.; Anderson, K.J.; Coleman, R.N.; Hogan, G.E.; Karhi, K.P.; McDonald, K.T.; Pilcher, J.E.; Rosenberg, E.I.; Sanders, G.H.; Smith, A.J.S.; Thaler, J.J.
1979-01-01
Data on muon-pair production by pions are used to determine the momentum distribution for valence quarks in the pion. The shape of a nucleon structure function is also obtained and is compared with a calculation based on existing data
Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe3
International Nuclear Information System (INIS)
Kim, H.J.; Tomic, A.T.; Tessmer, S.H.; Billinge, S.J.L.; Malliakas, C.D.; Kanatzidis, M.G.
2006-01-01
The local structure of CeTe 3 in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system
Moriya, Maki; Miyahara, Masahiko; Hokazono, Mana; Sasaki, Hirokazu; Nemoto, Atsushi; Katayama, Shingo; Akimoto, Yuji; Hirano, Shin-ichi; Ren, Yang
2014-10-01
The stable cycling performance with a high discharge capacity of ∼190 mAh g-1 in a carbon-hybridized Li2MnSiO4 nanostructured powder has prompted an experimental investigation of the charged/discharged structures using synchrotron-based and laboratory-based X-rays and atomic-pair distribution-function (PDF) analyses. A novel method of in-situ spray pyrolysis of a precursor solution with glucose as a carbon source enabled the successful synthesis of the carbon-hybridized Li2MnSiO4 nanoparticles. The XRD patters of the discharged (lithiated) samples exhibit a long-range ordered structure characteristic of the (β) Li2MnSiO4 crystalline phase (space group Pmn21) which dissipates in the charged (delithiated) samples. However, upon discharging the long-range ordered structure recovers in each cycle. The disordered structure, according to the PDF analysis, is mainly due to local distortions of the MnO4 tetrahedra which show a mean Mn-O nearest neighbor distance shorter than that of the long-range ordered phase. These results corroborate the notion of the smaller Mn3+/Mn4+ ionic radii in the Li extracted phase versus the larger Mn2+ ionic radius in Li inserted phase. Thus Li extraction/insertion drives the fluctuation between the disordered and the long-range ordered structures.
International Nuclear Information System (INIS)
Billinge, Simon J.L.
2008-01-01
Emerging materials of scientific and technological interest are generally complex and often nanostructured: they have atomic orderings that extend on nanometer length-scales. These can be discrete nanoparticles; bulk crystals with nanoscale chemical or displacive order within them; mesoporous materials that are bulk materials containing nanoscale holes; and nanocomposites that are intimate heterogeneous mixtures of nano-sized constituents. As always, a quantitative knowledge of the atomic structure within these materials is a prerequisite to understanding and engineering their properties. Traditional crystallographic methods for obtaining this information break down at the nanoscale, sometimes referred to as 'the nanostructure problem'. We describe here some emerging methods for studying nanoscale structure. We present some examples of recent successes. Finally, we discuss future directions and opportunities and draw attention to limitations and potential problems. -
Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe{sub 3}
Energy Technology Data Exchange (ETDEWEB)
Kim, H J; Tomic, A T; Tessmer, S H; Billinge, S J.L. [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824 (United States); Malliakas, C D; Kanatzidis, M G [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States)
2006-06-09
The local structure of CeTe{sub 3} in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system.
International Nuclear Information System (INIS)
Dalgic, Seyfettin; Gonzalez, Luis Enrique; Baer, Shalom; Silbert, Moises
2002-01-01
We present the results of calculations of the static structure factor S(k) and the pair distribution function g(r) of the tetrahedral amorphous semiconductors germanium, silicon and carbon using the structural diffusion model (SDM). The results obtained with the SDM for S(k) and g(r) are of comparable quality with those obtained by the unconstrained Reverse Monte Carlo simulations and existing ab initio molecular dynamics simulations for these systems. We have found that g(r) exhibits a small peak, or shoulder, a weak remnant of the prominent third neighbour peak present in the crystalline phase of these systems. This feature has been experimentally found to be present in recently reported high energy X-ray experiments of amorphous silicon (Phys. Rev. B 60 (1999) 13520), as well as in the previous X-ray diffraction of as-evaporated amorphous germanium (Phys. Rev. B 50 (1994) 539)
Energy Technology Data Exchange (ETDEWEB)
Dalgic, Seyfettin; Gonzalez, Luis Enrique; Baer, Shalom; Silbert, Moises
2002-12-01
We present the results of calculations of the static structure factor S(k) and the pair distribution function g(r) of the tetrahedral amorphous semiconductors germanium, silicon and carbon using the structural diffusion model (SDM). The results obtained with the SDM for S(k) and g(r) are of comparable quality with those obtained by the unconstrained Reverse Monte Carlo simulations and existing ab initio molecular dynamics simulations for these systems. We have found that g(r) exhibits a small peak, or shoulder, a weak remnant of the prominent third neighbour peak present in the crystalline phase of these systems. This feature has been experimentally found to be present in recently reported high energy X-ray experiments of amorphous silicon (Phys. Rev. B 60 (1999) 13520), as well as in the previous X-ray diffraction of as-evaporated amorphous germanium (Phys. Rev. B 50 (1994) 539)
Atomic displacement distributions for light energetic atoms incident on heavy atom targets
International Nuclear Information System (INIS)
Brice, D.K.
1975-01-01
The depth distributions of atomic displacements produced by 4 to 100 keV H, D, and He ions incident on Cr, Mo, and W targets have been calculated using a sharp displacement threshold, E/sub d/ = 35 eV, and a previously described calculational procedure. These displacement depth distributions have been compared with the depth distributions of energy deposited into atomic processes to determine if a proportionality (modified Kinchin--Pease relationship) can be established. Such a relationship does exist for He ions and D ions incident on these metals at energies above 4 keV and 20 keV, respectively. For H ions the two distributions have significantly different shapes at all incident energies considered
Wigner functions for nonclassical states of a collection of two-level atoms
Agarwal, G. S.; Dowling, Jonathan P.; Schleich, Wolfgang P.
1993-01-01
The general theory of atomic angular momentum states is used to derive the Wigner distribution function for atomic angular momentum number states, coherent states, and squeezed states. These Wigner functions W(theta,phi) are represented as a pseudo-probability distribution in spherical coordinates theta and phi on the surface of a sphere of radius the square root of j(j +1) where j is the total angular momentum.
Distributed wireless quantum communication networks with partially entangled pairs
International Nuclear Information System (INIS)
Yu Xu-Tao; Zhang Zai-Chen; Xu Jin
2014-01-01
Wireless quantum communication networks transfer quantum state by teleportation. Existing research focuses on maximal entangled pairs. In this paper, we analyse the distributed wireless quantum communication networks with partially entangled pairs. A quantum routing scheme with multi-hop teleportation is proposed. With the proposed scheme, is not necessary for the quantum path to be consistent with the classical path. The quantum path and its associated classical path are established in a distributed way. Direct multi-hop teleportation is conducted on the selected path to transfer a quantum state from the source to the destination. Based on the feature of multi-hop teleportation using partially entangled pairs, if the node number of the quantum path is even, the destination node will add another teleportation at itself. We simulated the performance of distributed wireless quantum communication networks with a partially entangled state. The probability of transferring the quantum state successfully is statistically analyzed. Our work shows that multi-hop teleportation on distributed wireless quantum networks with partially entangled pairs is feasible. (general)
Mechanism of formation and spatial distribution of lead atoms in quartz tube atomizers
Johansson, M.; Baxter, D. C.; Ohlsson, K. E. A.; Frech, W.
1997-05-01
The cross-sectional and longitudinal spatial distributions of lead atoms in a quartz tube (QT) atomizers coupled to a gas chromatograph have been investigated. A uniform analyte atom distribution over the cross-section was found in a QT having an inner diameter (i.d.) of 7 mm, whereas a 10 mm i.d. QT showed an inhomogeneous distribution. These results accentuate the importance of using QTs with i.d.s below 10 mm to fulfil the prerequirement of the Beer—Lambert law to avoid bent calibration curves. The influence of the make up gas on the formation of lead atoms from alkyllead compounds has been studied, and carbon monoxide was found equally efficient in promoting free atom formation as hydrogen. This suggests that hydrogen radicals are not essential for mediating the atomization of alkyllead in QT atomizers at ˜ 1200 K. Furthermore, thermodynamic equilibrium calculations describing the investigated system were performed supporting the experimental results. Based on the presented data, a mechanism for free lead atom formation in continuously heated QT atomizers is proposed; thermal atomization occurs under thermodynamic equilibrium conditions in a reducing gas. The longitudinal atom distribution has been further investigated applying other make up gases, N 2 and He. These results show the effect of the influx of atmospheric oxygen on the free lead atom formation. Calculations of the partial pressure of oxygen in the atomizer gas phase assuming thermodynamic equilibrium have been undertaken using a convective-diffusional model.
Description of atomic burials in compact globular proteins by Fermi-Dirac probability distributions.
Gomes, Antonio L C; de Rezende, Júlia R; Pereira de Araújo, Antônio F; Shakhnovich, Eugene I
2007-02-01
We perform a statistical analysis of atomic distributions as a function of the distance R from the molecular geometrical center in a nonredundant set of compact globular proteins. The number of atoms increases quadratically for small R, indicating a constant average density inside the core, reaches a maximum at a size-dependent distance R(max), and falls rapidly for larger R. The empirical curves turn out to be consistent with the volume increase of spherical concentric solid shells and a Fermi-Dirac distribution in which the distance R plays the role of an effective atomic energy epsilon(R) = R. The effective chemical potential mu governing the distribution increases with the number of residues, reflecting the size of the protein globule, while the temperature parameter beta decreases. Interestingly, betamu is not as strongly dependent on protein size and appears to be tuned to maintain approximately half of the atoms in the high density interior and the other half in the exterior region of rapidly decreasing density. A normalized size-independent distribution was obtained for the atomic probability as a function of the reduced distance, r = R/R(g), where R(g) is the radius of gyration. The global normalized Fermi distribution, F(r), can be reasonably decomposed in Fermi-like subdistributions for different atomic types tau, F(tau)(r), with Sigma(tau)F(tau)(r) = F(r), which depend on two additional parameters mu(tau) and h(tau). The chemical potential mu(tau) affects a scaling prefactor and depends on the overall frequency of the corresponding atomic type, while the maximum position of the subdistribution is determined by h(tau), which appears in a type-dependent atomic effective energy, epsilon(tau)(r) = h(tau)r, and is strongly correlated to available hydrophobicity scales. Better adjustments are obtained when the effective energy is not assumed to be necessarily linear, or epsilon(tau)*(r) = h(tau)*r(alpha,), in which case a correlation with hydrophobicity
Observation of dynamic atom-atom correlation in liquid helium in real space.
Dmowski, W; Diallo, S O; Lokshin, K; Ehlers, G; Ferré, G; Boronat, J; Egami, T
2017-05-04
Liquid 4 He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4 He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.
Visualizing pair formation on the atomic scale in high-Tc superconductors
International Nuclear Information System (INIS)
Pasupathy, A.
2008-01-01
Full text: Unlike traditional superconductors, the density of states (DOS) of the high-T c superconductor Bi-2212 shows large nanoscale variations that have been detected using scanning tunneling microscopy (STM). Such variations are seen in the low temperature superconducting gap and in features associated with the coupling of pairs to boson modes. In order to understand these variations in the spectra, we perform atomic resolution STM measurements of Bi-2212 as a function of temperature. Using newly developed experimental techniques, we measure the evolution of the DOS from low temperature (T c ) to temperatures where all gaps in the spectrum have disappeared (T>T*). Such measurements show that the pairing gap nucleates in nanoscale regions at temperatures between T c and T*. By normalizing the low temperature DOS (T c ) to the DOS at high temperature, we are able to fit the superconducting DOS to the d-wave BCS form. We find that the experimental spectrum deviations from a simple d-wave fit indicating a strong coupling between electrons and bosonic modes. We will discuss the temperature evolution of these as well as other features in the DOS and correlate such measurements with the inhomogeneity seen in the gap magnitude at low temperature
Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; König, A.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Strauss, J.; Waltenberger, W.; Wulz, C.-E.; Dvornikov, O.; Makarenko, V.; Mossolov, V.; Suarez Gonzalez, J.; Zykunov, V.; Shumeiko, N.; Alderweireldt, S.; De Wolf, E. A.; Janssen, X.; Lauwers, J.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Skovpen, K.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Brun, H.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Vannerom, D.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cornelis, T.; Dobur, D.; Fagot, A.; Gul, M.; Khvastunov, I.; Poyraz, D.; Salva, S.; Schöfbeck, R.; Tytgat, M.; Van Driessche, W.; Yazgan, E.; Zaganidis, N.; Bakhshiansohi, H.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Jafari, A.; Komm, M.; Krintiras, G.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Piotrzkowski, K.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Wertz, S.; Beliy, N.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Chagas, E. Belchior Batista Das; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; De Oliveira Martins, C.; De Souza, S. Fonseca; Guativa, L. M. Huertas; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Torres Da Silva De Araujo, F.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Cheng, T.; Jiang, C. H.; Leggat, D.; Liu, Z.; Romeo, F.; Ruan, M.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Zhao, J.; Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; González Hernández, C. F.; Ruiz Alvarez, J. D.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Mesic, B.; Susa, T.; Ather, M. W.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Carrera Jarrin, E.; Ellithi Kamel, A.; Mahmoud, M. A.; Radi, A.; Kadastik, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Järvinen, T.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Ghosh, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Kucher, I.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Miné, P.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sirois, Y.; Stahl Leiton, A. G.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Zghiche, A.; Agram, J.-L.; Andrea, J.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Bihan, A.-C. Le; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Carrillo Montoya, C. A.; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fay, J.; Finco, L.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Khvedelidze, A.; Lomidze, D.; Autermann, C.; Beranek, S.; Feld, L.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Preuten, M.; Schomakers, C.; Schulz, J.; Verlage, T.; Albert, A.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hamer, M.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Olschewski, M.; Padeken, K.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Sonnenschein, L.; Teyssier, D.; Thüer, S.; Cherepanov, V.; Flügge, G.; Kargoll, B.; Kress, T.; Künsken, A.; Lingemann, J.; Müller, T.; Nehrkorn, A.; Nowack, A.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Arndt, T.; Asawatangtrakuldee, C.; Beernaert, K.; Behnke, O.; Behrens, U.; Bin Anuar, A. A.; Borras, K.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Diez Pardos, C.; Dolinska, G.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Eren, E.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Gizhko, A.; Grados Luyando, J. M.; Grohsjean, A.; Gunnellini, P.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Keaveney, J.; Kleinwort, C.; Korol, I.; Krücker, D.; Lange, W.; Lelek, A.; Lenz, T.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Roland, B.; Sahin, M. Ö.; Saxena, P.; Schoerner-Sadenius, T.; Spannagel, S.; Stefaniuk, N.; Van Onsem, G. P.; Walsh, R.; Wissing, C.; Zenaiev, O.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hoffmann, M.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Kurz, S.; Lapsien, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Sonneveld, J.; Stadie, H.; Steinbrück, G.; Stober, F. M.; Stöver, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.; Akbiyik, M.; Barth, C.; Baur, S.; Baus, C.; Berger, J.; Butz, E.; Caspart, R.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; Fink, S.; Freund, B.; Friese, R.; Giffels, M.; Gilbert, A.; Goldenzweig, P.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Kassel, F.; Katkov, I.; Kudella, S.; Mildner, H.; Mozer, M. U.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Röcker, S.; Roscher, F.; Schröder, M.; Shvetsov, I.; Sieber, G.; Simonis, H. J.; Ulrich, R.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. 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2017-07-01
Normalized double-differential cross sections for top quark pair (t\\overline{t}) production are measured in pp collisions at a centre-of-mass energy of 8 {TeV} with the CMS experiment at the LHC. The analyzed data correspond to an integrated luminosity of 19.7 {fb}^{-1}. The measurement is performed in the dilepton e^{± }μ ^{∓ } final state. The t\\overline{t} cross section is determined as a function of various pairs of observables characterizing the kinematics of the top quark and t\\overline{t} system. The data are compared to calculations using perturbative quantum chromodynamics at next-to-leading and approximate next-to-next-to-leading orders. They are also compared to predictions of Monte Carlo event generators that complement fixed-order computations with parton showers, hadronization, and multiple-parton interactions. Overall agreement is observed with the predictions, which is improved when the latest global sets of proton parton distribution functions are used. The inclusion of the measured t\\overline{t} cross sections in a fit of parametrized parton distribution functions is shown to have significant impact on the gluon distribution.
Energy Technology Data Exchange (ETDEWEB)
Sirunyan, A.M.; Tumasyan, A. [Yerevan Physics Institute, Yerevan (Armenia); Adam, W. [Institut fuer Hochenergiephysik, Vienna (Austria); Collaboration: CMS Collaboration; and others
2017-07-15
Normalized double-differential cross sections for top quark pair (t anti t) production are measured in pp collisions at a centre-of-mass energy of 8 TeV with the CMS experiment at the LHC. The analyzed data correspond to an integrated luminosity of 19.7 fb{sup -1}. The measurement is performed in the dilepton e{sup ±}μ{sup -+} final state. The t anti t cross section is determined as a function of various pairs of observables characterizing the kinematics of the top quark and t anti t system. The data are compared to calculations using perturbative quantum chromodynamics at next-to-leading and approximate next-to-next-to-leading orders. They are also compared to predictions of Monte Carlo event generators that complement fixed-order computations with parton showers, hadronization, and multiple-parton interactions. Overall agreement is observed with the predictions, which is improved when the latest global sets of proton parton distribution functions are used. The inclusion of the measured t anti t cross sections in a fit of parametrized parton distribution functions is shown to have significant impact on the gluon distribution. (orig.)
Teleportation of a two-atom entangled state using a single EPR pair in cavity QED
Institute of Scientific and Technical Information of China (English)
Ji Xin; Li Ke; Zhang Shou
2006-01-01
We propose a scheme for teleporting a two-atom entangled state in cavity quantum electrodynamics(QED).In the scheme,we choose a single Einstein-Podolsky-Rosen (EPR) pair as the quantum channel which is shared by the sender and the receiver.By using the atom-cavity-field interaction and introducing an additional atom,we can teleport the two-atom entangled state successfully with a probability of 1.0.Moreover,we show that the scheme is insensitive to cavity decay and thermal field.
Photostop of iodine atoms from electrically oriented ICl molecules
International Nuclear Information System (INIS)
Bao Da-Xiao; Lian-Zhong Deng; Xu Liang; Yin Jian-Ping
2015-01-01
The dynamics of photostopping iodine atoms from electrically oriented ICl molecules was numerically studied based on their orientational probability distribution functions. Velocity distributions of the iodine atoms and their production rates were investigated for orienting electrical fields of various intensities. For the ICl precursor beams with an initial rotational temperature of ∼ 1 K, the production of the iodine atoms near zero speed will be improved by about ∼ 5 times when an orienting electrical field of ∼ 200 kV/cm is present. A production rate of ∼ 0.5‰ is obtained for photostopped iodine atoms with speeds less than 10 m/s, which are suitable for magnetic trapping. The electrical orientation of ICl precursors and magnetic trapping of photostopped iodine atoms in situ can be conveniently realized with a pair of charged ring magnets. With the maximal value of the trapping field being ∼ 0.28 T, the largest trapping speed is ∼ 7.0 m/s for the iodine atom. (paper)
International Nuclear Information System (INIS)
Nakashima, Kenichi; Stoller, Roger E; Xu, Haixuan
2015-01-01
The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in irradiated materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1.0a 0 to 3.3a 0 have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a 0 by taking the average of the recombination distances from 80 simulation cases. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster. (paper)
International Nuclear Information System (INIS)
Moran, T.G.
1986-12-01
Analysis of the doppler-broadened profiles of spectral lines radiated by atoms or ions in plasmas yields information about their velocity distributions. Researchers have analysed profiles of lines radiated by atoms in isotropic velocity distributions in several ways, one being the inversion of the integral equation which relates the velocity distribution to the line profile. This inversion formula was derived for a separate application and was given to within an arbitrary multiplicative constant. This paper presents a new derivation which obtains the inversion exactly, using a method which is easily generalized for determination of anisotropic velocity distribution functions. The technique to obtain an anisotropic velocity distribution function from line profiles measured at different angles is outlined
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Stenson, K; Wagner, S R; Alexander, J; Chaves, J; Chu, J; Dittmer, S; Mcdermott, K; Mirman, N; Patterson, J R; Rinkevicius, A; Ryd, A; Skinnari, L; Soffi, L; Tan, S M; Tao, Z; Thom, J; Tucker, J; Wittich, P; Zientek, M; Winn, D; Abdullin, S; Albrow, M; Apollinari, G; Apresyan, A; Banerjee, S; Bauerdick, L A T; Beretvas, A; Berryhill, J; Bhat, P C; Bolla, G; Burkett, K; Butler, J N; Cheung, H W K; Chlebana, F; Cihangir, S; Cremonesi, M; Elvira, V D; Fisk, I; Freeman, J; Gottschalk, E; Gray, L; Green, D; Grünendahl, S; Gutsche, O; Hare, D; Harris, R M; Hasegawa, S; Hirschauer, J; Hu, Z; Jayatilaka, B; Jindariani, S; Johnson, M; Joshi, U; Klima, B; Kreis, B; Lammel, S; Linacre, J; Lincoln, D; Lipton, R; Liu, M; Liu, T; Lopes De Sá, R; Lykken, J; Maeshima, K; Magini, N; Marraffino, J M; Maruyama, S; Mason, D; McBride, P; Merkel, P; Mrenna, S; Nahn, S; O'Dell, V; Pedro, K; Prokofyev, O; Rakness, G; Ristori, L; Sexton-Kennedy, E; Soha, A; Spalding, W J; Spiegel, L; Stoynev, S; Strait, J; Strobbe, N; Taylor, L; Tkaczyk, S; Tran, N V; Uplegger, L; Vaandering, E W; Vernieri, C; Verzocchi, M; Vidal, R; Wang, M; Weber, H A; Whitbeck, A; Wu, Y; Acosta, D; Avery, P; Bortignon, P; Bourilkov, D; Brinkerhoff, A; Carnes, A; Carver, M; Curry, D; Das, S; Field, R D; Furic, I K; Konigsberg, J; Korytov, A; Low, J F; Ma, P; Matchev, K; Mei, H; Mitselmakher, G; Rank, D; Shchutska, L; Sperka, D; Thomas, L; Wang, J; Wang, S; Yelton, J; Linn, S; Markowitz, P; Martinez, G; Rodriguez, J L; Ackert, A; Adams, T; Askew, A; Bein, S; Hagopian, S; Hagopian, V; Johnson, K F; Kolberg, T; Perry, T; Prosper, H; Santra, A; Yohay, R; Baarmand, M M; Bhopatkar, V; Colafranceschi, S; Hohlmann, M; Noonan, D; Roy, T; Yumiceva, F; Adams, M R; Apanasevich, L; Berry, D; Betts, R R; Cavanaugh, R; Chen, X; Evdokimov, O; Gerber, C E; Hangal, D A; Hofman, D J; Jung, K; Kamin, J; Sandoval Gonzalez, I D; Trauger, H; Varelas, N; Wang, H; Wu, Z; Zhang, J; Bilki, B; Clarida, W; Dilsiz, K; Durgut, S; Gandrajula, R P; Haytmyradov, M; Khristenko, V; Merlo, J-P; Mermerkaya, H; Mestvirishvili, A; Moeller, A; Nachtman, J; Ogul, H; Onel, Y; Ozok, F; Penzo, A; Snyder, C; Tiras, E; Wetzel, J; Yi, K; Blumenfeld, B; Cocoros, A; Eminizer, N; Fehling, D; Feng, L; Gritsan, A V; Maksimovic, P; Roskes, J; Sarica, U; Swartz, M; Xiao, M; You, C; Al-Bataineh, A; Baringer, P; Bean, A; Boren, S; Bowen, J; Castle, J; Forthomme, L; Khalil, S; Kropivnitskaya, A; Majumder, D; Mcbrayer, W; Murray, M; Sanders, S; Stringer, R; Tapia Takaki, J D; Wang, Q; Ivanov, A; Kaadze, K; Maravin, Y; Mohammadi, A; Saini, L K; Skhirtladze, N; Toda, S; Rebassoo, F; Wright, D; Anelli, C; Baden, A; Baron, O; Belloni, A; Calvert, B; Eno, S C; Ferraioli, C; Gomez, J A; Hadley, N J; Jabeen, S; Jeng, G Y; Kellogg, R G; Kunkle, J; Mignerey, A C; Ricci-Tam, F; Shin, Y H; Skuja, A; Tonjes, M B; Tonwar, S C; Abercrombie, D; Allen, B; Apyan, A; Azzolini, V; Barbieri, R; Baty, A; Bi, R; Bierwagen, K; Brandt, S; Busza, W; Cali, I A; D'Alfonso, M; Demiragli, Z; Gomez Ceballos, G; Goncharov, M; Hsu, D; Iiyama, Y; Innocenti, G M; Klute, M; Kovalskyi, D; Krajczar, K; Lai, Y S; Lee, Y-J; Levin, A; Luckey, P D; Maier, B; Marini, A C; Mcginn, C; Mironov, C; Narayanan, S; Niu, X; Paus, C; Roland, C; Roland, G; Salfeld-Nebgen, J; Stephans, G S F; Tatar, K; Velicanu, D; Wang, J; Wang, T W; Wyslouch, B; Benvenuti, A C; Chatterjee, R M; Evans, A; Hansen, P; Kalafut, S; Kao, S C; Kubota, Y; Lesko, Z; Mans, J; Nourbakhsh, S; Ruckstuhl, N; Rusack, R; Tambe, N; Turkewitz, J; Acosta, J G; Oliveros, S; Avdeeva, E; Bloom, K; Claes, D R; Fangmeier, C; Gonzalez Suarez, R; Kamalieddin, R; Kravchenko, I; Malta Rodrigues, A; Monroy, J; Siado, J E; Snow, G R; Stieger, B; Alyari, M; Dolen, J; Godshalk, A; Harrington, C; Iashvili, I; Kaisen, J; Nguyen, D; Parker, A; Rappoccio, S; Roozbahani, B; Alverson, G; Barberis, E; Hortiangtham, A; Massironi, A; Morse, D M; Nash, D; Orimoto, T; Teixeira De Lima, R; Trocino, D; Wang, R-J; Wood, D; Bhattacharya, S; Charaf, O; Hahn, K A; Mucia, N; Odell, N; Pollack, B; Schmitt, M H; Sung, K; Trovato, M; Velasco, M; Dev, N; Hildreth, M; Hurtado Anampa, K; Jessop, C; Karmgard, D J; Kellams, N; Lannon, K; Marinelli, N; Meng, F; Mueller, C; Musienko, Y; Planer, M; Reinsvold, A; Ruchti, R; Rupprecht, N; Smith, G; Taroni, S; Wayne, M; Wolf, M; Woodard, A; Alimena, J; Antonelli, L; Bylsma, B; Durkin, L S; Flowers, S; Francis, B; Hart, A; Hill, C; Ji, W; Liu, B; Luo, W; Puigh, D; Winer, B L; Wulsin, H W; Cooperstein, S; Driga, O; Elmer, P; Hardenbrook, J; Hebda, P; Lange, D; Luo, J; Marlow, D; Medvedeva, T; Mei, K; Ojalvo, I; Olsen, J; Palmer, C; Piroué, P; Stickland, D; Svyatkovskiy, A; Tully, C; Malik, S; Barker, A; Barnes, V E; Folgueras, S; Gutay, L; Jha, M K; Jones, M; Jung, A W; Khatiwada, A; Miller, D H; Neumeister, N; Schulte, J F; Shi, X; Sun, J; Wang, F; Xie, W; Parashar, N; Stupak, J; Adair, A; Akgun, B; Chen, Z; Ecklund, K M; Geurts, F J M; Guilbaud, M; Li, W; Michlin, B; Northup, M; Padley, B P; Roberts, J; Rorie, J; Tu, Z; Zabel, J; Betchart, B; Bodek, A; de Barbaro, P; Demina, R; Duh, Y T; Ferbel, T; Galanti, M; Garcia-Bellido, A; Han, J; Hindrichs, O; Khukhunaishvili, A; Lo, K H; Tan, P; Verzetti, M; Agapitos, A; Chou, J P; Gershtein, Y; Gómez Espinosa, T A; Halkiadakis, E; Heindl, M; Hughes, E; Kaplan, S; Kunnawalkam Elayavalli, R; Kyriacou, S; Lath, A; Montalvo, R; Nash, K; Osherson, M; Saka, H; Salur, S; Schnetzer, S; Sheffield, D; Somalwar, S; Stone, R; Thomas, S; Thomassen, P; Walker, M; Delannoy, A G; Foerster, M; Heideman, J; Riley, G; Rose, K; Spanier, S; Thapa, K; Bouhali, O; Celik, A; Dalchenko, M; De Mattia, M; Delgado, A; Dildick, S; Eusebi, R; Gilmore, J; Huang, T; Juska, E; Kamon, T; Mueller, R; Pakhotin, Y; Patel, R; Perloff, A; Perniè, L; Rathjens, D; Safonov, A; Tatarinov, A; Ulmer, K A; Akchurin, N; Damgov, J; De Guio, F; Dragoiu, C; Dudero, P R; Faulkner, J; Gurpinar, E; Kunori, S; Lamichhane, K; Lee, S W; Libeiro, T; Peltola, T; Undleeb, S; Volobouev, I; Wang, Z; Greene, S; Gurrola, A; Janjam, R; Johns, W; Maguire, C; Melo, A; Ni, H; Sheldon, P; Tuo, S; Velkovska, J; Xu, Q; Arenton, M W; Barria, P; Cox, B; Hirosky, R; Ledovskoy, A; Li, H; Neu, C; Sinthuprasith, T; Sun, X; Wang, Y; Wolfe, E; Xia, F; Clarke, C; Harr, R; Karchin, P E; Sturdy, J; Zaleski, S; Belknap, D A; Buchanan, J; Caillol, C; Dasu, S; Dodd, L; Duric, S; Gomber, B; Grothe, M; Herndon, M; Hervé, A; Hussain, U; Klabbers, P; Lanaro, A; Levine, A; Long, K; Loveless, R; Pierro, G A; Polese, G; Ruggles, T; Savin, A; Smith, N; Smith, W H; Taylor, D; Woods, N
2017-01-01
Normalized double-differential cross sections for top quark pair ([Formula: see text]) production are measured in pp collisions at a centre-of-mass energy of 8[Formula: see text] with the CMS experiment at the LHC. The analyzed data correspond to an integrated luminosity of 19.7[Formula: see text]. The measurement is performed in the dilepton [Formula: see text] final state. The [Formula: see text] cross section is determined as a function of various pairs of observables characterizing the kinematics of the top quark and [Formula: see text] system. The data are compared to calculations using perturbative quantum chromodynamics at next-to-leading and approximate next-to-next-to-leading orders. They are also compared to predictions of Monte Carlo event generators that complement fixed-order computations with parton showers, hadronization, and multiple-parton interactions. Overall agreement is observed with the predictions, which is improved when the latest global sets of proton parton distribution functions are used. The inclusion of the measured [Formula: see text] cross sections in a fit of parametrized parton distribution functions is shown to have significant impact on the gluon distribution.
Entangled-Pair Transmission Improvement Using Distributed Phase-Sensitive Amplification
Directory of Open Access Journals (Sweden)
Anjali Agarwal
2014-12-01
Full Text Available We demonstrate the transmission of time-bin entangled photon pairs through a distributed optical phase-sensitive amplifier (OPSA. We utilize four-wave mixing at telecom wavelengths in a 5-km dispersion-shifted fiber OPSA operating in the low-gain limit. Measurements of two-photon interference curves show no statistically significant degradation in the fringe visibility at the output of the OPSA. In addition, coincidence counting rates are higher than direct passive transmission because of constructive interference between amplitudes of input photon pairs and those generated in the OPSA. Our results suggest that application of distributed phase-sensitive amplification to transmission of entangled photon pairs could be highly beneficial towards advancing the rate and scalability of future quantum communications systems.
Site Specificity in Femtosecond Laser Desorption of Neutral H Atoms from Graphite(0001)
DEFF Research Database (Denmark)
Frigge, R.; Hoger, T.; Siemer, B.
2010-01-01
Femtosecond laser excitation and density functional theory reveal site and vibrational state specificity in neutral atomic hydrogen desorption from graphite induced by multiple electronic transitions. Multimodal velocity distributions witness the participation of ortho and para pair states...... of chemisorbed hydrogen in the desorption process. Very slow velocities of 700 and 400 ms-1 for H and D atoms are associated with the desorption out of the highest vibrational state of a barrierless potential....
Wigner function for the generalized excited pair coherent state
International Nuclear Information System (INIS)
Meng Xiangguo; Wang Jisuo; Liang Baolong; Li Hongqi
2008-01-01
This paper introduces the generalized excited pair coherent state (GEPCS). Using the entangled state |η> representation of Wigner operator, it obtains the Wigner function for the GEPCS. In the ρ-γ phase space, the variations of the Wigner function distributions with the parameters q, α, k and l are discussed. The tomogram of the GEPCS is calculated with the help of the Radon transform between the Wigner operator and the projection operator of the entangled state |η 1 , η 2 , τ 1 , τ 2 >. The entangled states |η> and η 1 , η 2 , τ 1 , τ 2 > provide two good representative space for studying the Wigner functions and tomograms of various two-mode correlated quantum states
Barati, Fatemeh; Grossnickle, Max; Su, Shanshan; Lake, Roger; Aji, Vivek; Gabor, Nathaniel
Two-dimensional heterostructures composed of atomically thin transition metal dichalcogenides provide the opportunity to design novel devices for the study of electron-hole pair multiplication. We report on highly efficient multiplication of interlayer electron-hole pairs at the interface of a tungsten diselenide / molybdenum diselenide heterostructure. Electronic transport measurements of the interlayer current-voltage characteristics indicate that layer-indirect electron-hole pairs are generated by hot electron impact excitation. Our findings, which demonstrate an efficient energy relaxation pathway that competes with electron thermalization losses, make 2D semiconductor heterostructures viable for a new class of hot-carrier energy harvesting devices that exploit layer-indirect electron-hole excitations. SHINES, an Energy Frontier Research Center funded by the U.S. Department of Energy, Air Force Office of Scientific Research.
Synergy between pair coupled cluster doubles and pair density functional theory
Energy Technology Data Exchange (ETDEWEB)
Garza, Alejandro J.; Bulik, Ireneusz W. [Department of Chemistry, Rice University, Houston, Texas 77251-1892 (United States); Henderson, Thomas M. [Department of Chemistry and Department of Physics and Astronomy, Rice University, Houston, Texas 77251-1892 (United States); Scuseria, Gustavo E. [Department of Chemistry and Department of Physics and Astronomy, Rice University, Houston, Texas 77251-1892 (United States); Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)
2015-01-28
Pair coupled cluster doubles (pCCD) has been recently studied as a method capable of accounting for static correlation with low polynomial cost. We present three combinations of pCCD with Kohn–Sham functionals of the density and on-top pair density (the probability of finding two electrons on top of each other) to add dynamic correlation to pCCD without double counting. With a negligible increase in computational cost, these pCCD+DFT blends greatly improve upon pCCD in the description of typical problems where static and dynamic correlations are both important. We argue that—as a black-box method with low scaling, size-extensivity, size-consistency, and a simple quasidiagonal two-particle density matrix—pCCD is an excellent match for pair density functionals in this type of fusion of multireference wavefunctions with DFT.
International Nuclear Information System (INIS)
Koga, T.; Kasai, Y.; Dehesa, J.S.; Angulo, J.C.
1993-01-01
The electron-pair function h(u) of a finite many-electron system is not monotonic, but the related quantity h(u)/u α , α>0, is not only monotonically decreasing from the origin but also convex for the values α 1 and α 2 , respectively, as has been recently found. Here, it is first argued that this quantity is also logarithmically convex for any α≥α' with α'=max{-u 2 d2[lnh(u)]/du 2 }. Then this property is used to obtain a general inequality which involves three interelectronic moments left-angle u t right-angle. Particular cases of this inequality involve relevant characteristics of the system such as the number of electrons and the total electron-electron repulsion energy. Second, the logarithmic-convexity property of h(u) as well as the accuracy of this inequality are investigated by the optimum 20-term Hylleraas-type wave functions for two-electron atoms with nuclear charge Z=1, 2, 3, 5, and 10. It is found that (i) 14 2 much-gt α 1 ) and (ii) the accuracy of the inequality which involves moments of contiguous orders oscillates between 62.4% and 96.7% according to the specific He-like atom and the moments involved. Finally, the importance of the logarithmic-convexity effects on the interelectronic moments relative to those coming from other monotonicity properties of h(u)/u α are analyzed in the same numerical Hylleraas framework
Ab initio calculation atomics ground state wave function for interactions Ion- Atom
International Nuclear Information System (INIS)
Shojaee, F.; Bolori zadeh, M. A.
2007-01-01
Ab initio calculation atomics ground state wave function for interactions Ion- Atom Atomic wave function expressed in a Slater - type basis obtained within Roothaan- Hartree - Fock for the ground state of the atoms He through B. The total energy is given for each atom.
Two-color ghost interference with photon pairs generated in hot atoms
Directory of Open Access Journals (Sweden)
Dong-Sheng Ding
2012-09-01
Full Text Available We report on an experimental observation of a two-photon ghost interference experiment. A distinguishing feature of our experiment is that the photons are generated via a non-degenerated spontaneous four-wave mixing process in a hot atomic ensemble; therefore the photon has narrow bandwidth. Besides, there is a large difference in frequency between two photons in a pair. Our works may be important to achieve more secure, large transmission capacity long-distance quantum communication.
Distribution Function of the Atoms of Spacetime and the Nature of Gravity
Directory of Open Access Journals (Sweden)
Thanu Padmanabhan
2015-10-01
Full Text Available The fact that the equations of motion for matter remain invariant when a constant is added to the Lagrangian suggests postulating that the field equations of gravity should also respect this symmetry. This principle implies that: (1 the metric cannot be varied in any extremum principle to obtain the field equations; and (2 the stress-tensor of matter should appear in the variational principle through the combination Tabnanb where na is an auxiliary null vector field, which could be varied to get the field equations. This procedure uniquely selects the Lanczos–Lovelock models of gravity in D-dimensions and Einstein’s theory in D = 4. Identifying na with the normals to the null surfaces in the spacetime in the macroscopic limit leads to a thermodynamic interpretation for gravity. Several geometrical variables and the equation describing the spacetime evolution acquire a thermodynamic interpretation. Extending these ideas one level deeper, we can obtain this variational principle from a distribution function for the “atoms of spacetime”, which counts the number of microscopic degrees of freedom of the geometry. This is based on the curious fact that the renormalized spacetime endows each event with zero volume, but finite area!
Deformed model Sp(4) model for studying pairing correlations in atomic nuclei
Georgieva, A I; Sviratcheva, K
2002-01-01
A fermion representation of the compact symplectic sp(4) algebra introduces a theoretical framework for describing pairing correlations in atomic nuclei. The important non-deformed and deformed subalgebras of sp sub ( sub q sub ) (4) and the corresponding reduction chains are explored for the multiple orbit problem. One realization of the u sub ( sub q sub ) (2) subalgebra is associated with the valence isospin, other reductions describe coupling between identical nucleons or proton-neutron pairs. Microscopic non-deformed and deformed Hamiltonians are expressed in terms of the generators of the sp(4) and sp sub q (4) algebras. In both cases eigenvalues of the isospin breaking Hamiltonian are fit to experimental ground state energies. The theory can be used to investigate the origin of the deformation and predict binding energies of nuclei in proton-rich regions. The q-deformation parameter changes the pairing strength and in so doing introduces a non-linear coupling into the collective degree of freedom
The Electrostatic Instability for Realistic Pair Distributions in Blazar/EBL Cascades
Vafin, S.; Rafighi, I.; Pohl, M.; Niemiec, J.
2018-04-01
This work revisits the electrostatic instability for blazar-induced pair beams propagating through the intergalactic medium (IGM) using linear analysis and PIC simulations. We study the impact of the realistic distribution function of pairs resulting from the interaction of high-energy gamma-rays with the extragalactic background light. We present analytical and numerical calculations of the linear growth rate of the instability for the arbitrary orientation of wave vectors. Our results explicitly demonstrate that the finite angular spread of the beam dramatically affects the growth rate of the waves, leading to the fastest growth for wave vectors quasi-parallel to the beam direction and a growth rate at oblique directions that is only a factor of 2–4 smaller compared to the maximum. To study the nonlinear beam relaxation, we performed PIC simulations that take into account a realistic wide-energy distribution of beam particles. The parameters of the simulated beam-plasma system provide an adequate physical picture that can be extrapolated to realistic blazar-induced pairs. In our simulations, the beam looses only 1% of its energy, and we analytically estimate that the beam would lose its total energy over about 100 simulation times. An analytical scaling is then used to extrapolate the parameters of realistic blazar-induced pair beams. We find that they can dissipate their energy slightly faster by the electrostatic instability than through inverse-Compton scattering. The uncertainties arising from, e.g., details of the primary gamma-ray spectrum are too large to make firm statements for individual blazars, and an analysis based on their specific properties is required.
Entanglement with negative Wigner function of almost 3,000 atoms heralded by one photon.
McConnell, Robert; Zhang, Hao; Hu, Jiazhong; Ćuk, Senka; Vuletić, Vladan
2015-03-26
Quantum-mechanically correlated (entangled) states of many particles are of interest in quantum information, quantum computing and quantum metrology. Metrologically useful entangled states of large atomic ensembles have been experimentally realized, but these states display Gaussian spin distribution functions with a non-negative Wigner quasiprobability distribution function. Non-Gaussian entangled states have been produced in small ensembles of ions, and very recently in large atomic ensembles. Here we generate entanglement in a large atomic ensemble via an interaction with a very weak laser pulse; remarkably, the detection of a single photon prepares several thousand atoms in an entangled state. We reconstruct a negative-valued Wigner function--an important hallmark of non-classicality--and verify an entanglement depth (the minimum number of mutually entangled atoms) of 2,910 ± 190 out of 3,100 atoms. Attaining such a negative Wigner function and the mutual entanglement of virtually all atoms is unprecedented for an ensemble containing more than a few particles. Although the achieved purity of the state is slightly below the threshold for entanglement-induced metrological gain, further technical improvement should allow the generation of states that surpass this threshold, and of more complex Schrödinger cat states for quantum metrology and information processing. More generally, our results demonstrate the power of heralded methods for entanglement generation, and illustrate how the information contained in a single photon can drastically alter the quantum state of a large system.
Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach.
Oña, Ofelia B; De Clercq, Olivier; Alcoba, Diego R; Torre, Alicia; Lain, Luis; Van Neck, Dimitri; Bultinck, Patrick
2016-09-19
The Fukui function is often used in its atom-condensed form by isolating it from the molecular Fukui function using a chosen weight function for the atom in the molecule. Recently, Fukui functions and matrices for both atoms and bonds separately were introduced for semiempirical and ab initio levels of theory using Hückel and Mulliken atoms-in-molecule models. In this work, a double partitioning method of the Fukui matrix is proposed within the Hirshfeld-I atoms-in-molecule framework. Diagonalizing the resulting atomic and bond matrices gives eigenvalues and eigenvectors (Fukui orbitals) describing the reactivity of atoms and bonds. The Fukui function is the diagonal element of the Fukui matrix and may be resolved in atom and bond contributions. The extra information contained in the atom and bond resolution of the Fukui matrices and functions is highlighted. The effect of the choice of weight function arising from the Hirshfeld-I approach to obtain atom- and bond-condensed Fukui functions is studied. A comparison of the results with those generated by using the Mulliken atoms-in-molecule approach shows low correlation between the two partitioning schemes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Spin-rotation interaction of alkali-metal endash He-atom pairs
International Nuclear Information System (INIS)
Walker, T.G.; Thywissen, J.H.; Happer, W.
1997-01-01
A treatment of the spin-rotation coupling between alkali-metal atoms and He atoms is presented. Rotational distortions are accounted for in the wave function using a Coriolis interaction in the rotating frame. The expectation value of the spin-orbit interaction gives values of the spin-rotation coupling that explain previous experimental results. For spin-exchange optical pumping, the results suggest that lighter alkali-metal atoms would be preferred spin-exchange partners, other factors being equal. copyright 1997 The American Physical Society
Data compilation of angular distributions of sputtered atoms
International Nuclear Information System (INIS)
Yamamura, Yasunori; Takiguchi, Takashi; Tawara, Hiro.
1990-01-01
Sputtering on a surface is generally caused by the collision cascade developed near the surface. The process is in principle the same as that causing radiation damage in the bulk of solids. Sputtering has long been regarded as an undesirable dirty effect which destroys the cathodes and grids in gas discharge tubes or ion sources and contaminates plasma and the surrounding walls. However, sputtering is used today for many applications such as sputter ion sources, mass spectrometers and the deposition of thin films. Plasma contamination and the surface erosion of first walls due to sputtering are still the major problems in fusion research. The angular distribution of the particles sputtered from solid surfaces can possibly provide the detailed information on the collision cascade in the interior of targets. This report presents a compilation of the angular distribution of sputtered atoms at normal incidence and oblique incidence in the various combinations of incident ions and target atoms. The angular distribution of sputtered atoms from monatomic solids at normal incidence and oblique incidence, and the compilation of the data on the angular distribution of sputtered atoms are reported. (K.I.)
A local dynamic correlation function from inelastic neutron scattering
International Nuclear Information System (INIS)
McQueeney, R.J.
1997-01-01
Information about local and dynamic atomic correlations can be obtained from inelastic neutron scattering measurements by Fourier transform of the Q-dependent intensity oscillations at a particular frequency. A local dynamic structure function, S(r,ω), is defined from the dynamic scattering function, S(Q,ω), such that the elastic and frequency-integrated limits correspond to the average and instantaneous pair-distribution functions, respectively. As an example, S(r,ω) is calculated for polycrystalline aluminum in a model where atomic motions are entirely due to harmonic phonons
Peculiarities of the momentum distribution functions of strongly correlated charged fermions
Larkin, A. S.; Filinov, V. S.; Fortov, V. E.
2018-01-01
New numerical version of the Wigner approach to quantum thermodynamics of strongly coupled systems of particles has been developed for extreme conditions, when analytical approximations based on different kinds of perturbation theories cannot be applied. An explicit analytical expression of the Wigner function has been obtained in linear and harmonic approximations. Fermi statistical effects are accounted for by effective pair pseudopotential depending on coordinates, momenta and degeneracy parameter of particles and taking into account Pauli blocking of fermions. A new quantum Monte-Carlo method for calculations of average values of arbitrary quantum operators has been developed. Calculations of the momentum distribution functions and the pair correlation functions of degenerate ideal Fermi gas have been carried out for testing the developed approach. Comparison of the obtained momentum distribution functions of strongly correlated Coulomb systems with the Maxwell-Boltzmann and the Fermi distributions shows the significant influence of interparticle interaction both at small momenta and in high energy quantum ‘tails’.
A Further Note on Generalized Hyperexponential Distributions
1989-11-15
functions. The inverse transform of each of m factors is of the form The requirement that 0, < r7 thus yields a mixture of an atom at the origin and a...real and (0, + 0,+,)/2 < Re(r/,) when (7h, 77t4) are a complex conjugate pair. Then the inverse transform of f*(s) is a probability distribution. To
Pairing fluctuations in trapped Fermi gases
International Nuclear Information System (INIS)
Viverit, Luciano; Bruun, Georg M.; Minguzzi, Anna; Fazio, Rosario
2004-01-01
We examine the contribution of pairing fluctuations to the superfluid order parameter for harmonically trapped atomic Fermi gases in the BCS regime. In the limit of small systems we consider, both analytically and numerically, their space and temperature dependence. We predict a parity effect, i.e., that pairing fluctuations show a maximum or a minimum at the center of the trap, depending on the value of the last occupied shell being even or odd. We propose to detect pairing fluctuations by measuring the density-density correlation function after a ballistic expansion of the gas
Taninaka, Atsushi; Yoshida, Shoji; Kanazawa, Ken; Hayaki, Eiko; Takeuchi, Osamu; Shigekawa, Hidemi
2016-06-16
Scanning tunneling microscopy/spectroscopy (STM/STS) was carried out to investigate the structures of Mn atoms deposited on a GaAs(110) surface at room temperature to directly observe the characteristics of interactions between Mn atoms in GaAs. Mn atoms were paired with a probability higher than the random distribution, indicating an attractive interaction between them. In fact, re-pairing of unpaired Mn atoms was observed during STS measurement. The pair initially had a new structure, which was transformed during STS measurement into one of those formed by atom manipulation at 4 K. Mn atoms in pairs and trimers were aligned in the direction, which is theoretically predicted to produce a high Curie temperature.
Hiley, Craig I; Playford, Helen Y; Fisher, Janet M; Felix, Noelia Cortes; Thompsett, David; Kashtiban, Reza J; Walton, Richard I
2018-02-07
Partial substitution of Ce 4+ by Nb 5+ is possible in CeO 2 by coinclusion of Na + to balance the charge, via hydrothermal synthesis in sodium hydroxide solution. Pair distribution function analysis using reverse Monte Carlo refinement reveals that the small pentavalent substituent resides in irregular coordination positions in an average fluorite lattice, displaced away from the ideal cubic coordination toward four oxygens. This results in under-coordinated oxygen, which explains significantly enhanced oxygen storage capacity of the materials of relevance to redox catalysis used in energy and environmental applications.
Atomic-scale Visualization of Electronic Nematicity and Cooper Pairing in Iron-based Superconductors
Allan, Milan P.
2013-03-01
The mechanism of high-temperature superconductivity in the relatively novel iron-based high-Tc superconductors is unresolved, both in terms of how the phases evolve with doping, and in terms of the actual Cooper pairing process. To explore these issues, we used spectroscopic-imaging scanning tunneling microscopy to study the electronic structure of CaFe2As2 in the antiferromagnetic-orthorhombic `parent' state from which the superconductivity emerges. We discovered and visualized the now widely studied electronic `nematicity' of this phase, whose suppression is associated with the emergence of superconductivity (Science 327, 181, 2010). As subsequent transport experiments discovered a related anisotropic conductance which increases with dopant concentration, the interplay between the electronic structure surrounding each dopant atom, quasiparticle scattering therefrom, and the transport nematicity has become a pivotal focus of research. We find that substituting Co for Fe atoms in underdoped Ca(Fe1-xCox)2As2 generates a dense population of identical and strongly anisotropic impurity states that are distributed randomly but aligned with the antiferromagnetic a-axis. We also demonstrate, by imaging their surrounding interference patterns, that these impurity states scatter quasiparticles and thus influence transport in a highly anisotropic manner (M.P. Allan et al., 2013). Next, we studied the momentum dependence of the energy gaps of iron-based superconductivity, now focusing on LiFeAs. If strong electron-electron interactions mediate the Cooper pairing, then momentum-space anisotropic superconducting energy gaps Δi (k) were predicted by multiple techniques to appear on the different electronic bands i. We introduced intraband Bogoliubov quasiparticle scattering interference (QPI) techniques for the determination of anisotropic energy gaps to test these hypotheses and discovered the anisotropy, magnitude, and relative orientations of the energy gaps on multiple
On the theory of electroproduction of small relative momentum nucleon pairs on atomic nuclei
International Nuclear Information System (INIS)
Nagornyj, S.I.; Inopin, E.V.
1979-01-01
Problems concerning knocking-out of nucleon pairs from atomic nuclei by high-energy electrons are studied. Dependences of cross sections of different processes of the knocking-out on the nucleon relative momentum in a pair are considered. Probabilities of different processes of the knocking-out are compared. A comparison of probabilities of total and three-particle splittings of a 4 He nucleus is performed. On total splitting in the formation of the cross section energy dependence the levels of observable and non-observable subsystems shown to take place. It has been stated that the cross section cannot be increased at the expense of levels of both subsystems simultaneously
The effect of atom mismatch on the fragility of supercooled Lennard-Jones binary mixtures
International Nuclear Information System (INIS)
Sun Minhua; Sun Yongli; Wang Aiping; Ma Congxiao; Li Jiayun; Cheng Weidong; Liu Fang
2006-01-01
The shear viscosity of the well-known binary Lennard-Jones mixture is simulated under constant temperature and constant volume conditions (NVT) by a molecular-dynamics (MD) method. The effect of atomic size mismatch on the fragility parameter and glass-forming ability is studied. The fragility parameters calculated from shear viscosity data decrease with the increment of the atomic size mismatch. The value of the fragility changes from 168.963 to 22.976 when the mismatch changes from 0.023 to 0.25. It is shown that the fragility parameter is sensitive to the atomic size mismatch. The calculated pair distribution functions and mean square displacements indicate that the glass-forming ability increases with the atomic size mismatch
Energy Technology Data Exchange (ETDEWEB)
Jiang, Jun, E-mail: phyjiang@yeah.net [Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Cheng, Yongjun, E-mail: cyj83mail@gmail.com [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Academy of Fundamental and Interdisciplinary Science, Harbin Institute of Technology, Harbin 150080 (China); Bromley, M.W.J., E-mail: brom@physics.uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane, Queensland 4075 (Australia)
2015-01-15
Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C{sub 6}, C{sub 8} and C{sub 10} atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations.
International Nuclear Information System (INIS)
Jiang, Jun; Mitroy, J.; Cheng, Yongjun; Bromley, M.W.J.
2015-01-01
Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C 6 , C 8 and C 10 atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations
Angular distribution of W boson pairs at a heavy Z-resonance
International Nuclear Information System (INIS)
Nandi, S.; Rizzo, T.G.
1987-05-01
In theories with an extra U(1) gauge boson (Z 2 ) at low energies. W boson pairs may be produced copiously by the process e + e - → Z 2 → W + W - at the Z 2 -resonance. We show that the angular distribution of the W pairs (produced at the Z 2 -resonance) is very different from that in the standard model, at the same center of mass energy, where it is dominated by t-channel neutrino exchange. These distributions will also be useful in distinguishing among the various models containing an extra Z-boson
Sirunyan, Albert M; Adam, Wolfgang; Aşılar, Ece; Bergauer, Thomas; Brandstetter, Johannes; Brondolin, Erica; Dragicevic, Marko; Erö, Janos; Flechl, Martin; Friedl, Markus; Fruehwirth, Rudolf; Ghete, Vasile Mihai; Hartl, Christian; Hörmann, Natascha; Hrubec, Josef; Jeitler, Manfred; König, Axel; Krätschmer, Ilse; Liko, Dietrich; Matsushita, Takashi; Mikulec, Ivan; Rabady, Dinyar; Rad, Navid; Rahbaran, Babak; Rohringer, Herbert; Schieck, Jochen; Strauss, Josef; Waltenberger, Wolfgang; Wulz, Claudia-Elisabeth; Dvornikov, Oleg; Makarenko, Vladimir; Mossolov, Vladimir; Suarez Gonzalez, Juan; Zykunov, Vladimir; Shumeiko, Nikolai; Alderweireldt, Sara; De Wolf, Eddi A; Janssen, Xavier; Lauwers, Jasper; Van De Klundert, Merijn; Van Haevermaet, Hans; Van Mechelen, Pierre; Van Remortel, Nick; Van Spilbeeck, Alex; Abu Zeid, Shimaa; Blekman, Freya; D'Hondt, Jorgen; Daci, Nadir; De Bruyn, Isabelle; Deroover, Kevin; Lowette, Steven; Moortgat, Seth; Moreels, Lieselotte; Olbrechts, Annik; Python, Quentin; Skovpen, Kirill; Tavernier, Stefaan; Van Doninck, Walter; Van Mulders, Petra; Van Parijs, Isis; Brun, Hugues; Clerbaux, Barbara; De Lentdecker, Gilles; Delannoy, Hugo; Fasanella, Giuseppe; Favart, Laurent; Goldouzian, Reza; Grebenyuk, Anastasia; Karapostoli, Georgia; Lenzi, Thomas; Léonard, Alexandre; Luetic, Jelena; Maerschalk, Thierry; Marinov, Andrey; Randle-conde, Aidan; Seva, Tomislav; Vander Velde, Catherine; Vanlaer, Pascal; Vannerom, David; Yonamine, Ryo; Zenoni, Florian; Zhang, Fengwangdong; Cornelis, Tom; Dobur, Didar; Fagot, Alexis; Gul, Muhammad; Khvastunov, Illia; Poyraz, Deniz; Salva Diblen, Sinem; Schöfbeck, Robert; Tytgat, Michael; Van Driessche, Ward; Yazgan, Efe; Zaganidis, Nicolas; Bakhshiansohi, Hamed; Bondu, Olivier; Brochet, Sébastien; Bruno, Giacomo; Caudron, Adrien; De Visscher, Simon; Delaere, Christophe; Delcourt, Martin; Francois, Brieuc; Giammanco, Andrea; Jafari, Abideh; Komm, Matthias; Krintiras, Georgios; Lemaitre, Vincent; Magitteri, Alessio; Mertens, Alexandre; Musich, Marco; Piotrzkowski, Krzysztof; Quertenmont, Loic; Selvaggi, Michele; Vidal Marono, Miguel; Wertz, Sébastien; Beliy, Nikita; Aldá Júnior, Walter Luiz; Alves, Fábio Lúcio; Alves, Gilvan; Brito, Lucas; Hensel, Carsten; Moraes, Arthur; Pol, Maria Elena; Rebello Teles, Patricia; Belchior Batista Das Chagas, Ewerton; Carvalho, Wagner; Chinellato, Jose; Custódio, Analu; Melo Da Costa, Eliza; Da Silveira, Gustavo Gil; De Jesus Damiao, Dilson; De Oliveira Martins, Carley; Fonseca De Souza, Sandro; Huertas Guativa, Lina Milena; Malbouisson, Helena; Matos Figueiredo, Diego; Mora Herrera, Clemencia; Mundim, Luiz; Nogima, Helio; Prado Da Silva, Wanda Lucia; Santoro, Alberto; Sznajder, Andre; Tonelli Manganote, Edmilson José; Torres Da Silva De Araujo, Felipe; Vilela Pereira, Antonio; Ahuja, Sudha; Bernardes, Cesar Augusto; Dogra, Sunil; Tomei, Thiago; De Moraes Gregores, Eduardo; Mercadante, Pedro G; Moon, Chang-Seong; Novaes, Sergio F; Padula, Sandra; Romero Abad, David; Ruiz Vargas, José Cupertino; Aleksandrov, Aleksandar; Hadjiiska, Roumyana; Iaydjiev, Plamen; Rodozov, Mircho; Stoykova, Stefka; Sultanov, Georgi; Vutova, Mariana; Dimitrov, Anton; Glushkov, Ivan; Litov, Leander; Pavlov, Borislav; Petkov, Peicho; Fang, Wenxing; Ahmad, Muhammad; Bian, Jian-Guo; Chen, Guo-Ming; Chen, He-Sheng; Chen, Mingshui; Chen, Ye; Cheng, Tongguang; Jiang, Chun-Hua; Leggat, Duncan; Liu, Zhenan; Romeo, Francesco; Ruan, Manqi; Shaheen, Sarmad Masood; Spiezia, Aniello; Tao, Junquan; Wang, Chunjie; Wang, Zheng; Zhang, Huaqiao; Zhao, Jingzhou; Ban, Yong; Chen, Geng; Li, Qiang; Liu, Shuai; Mao, Yajun; Qian, Si-Jin; Wang, Dayong; Xu, Zijun; Avila, Carlos; Cabrera, Andrés; Chaparro Sierra, Luisa Fernanda; Florez, Carlos; Gomez, Juan Pablo; González Hernández, Carlos Felipe; Ruiz Alvarez, José David; Sanabria, Juan Carlos; Godinovic, Nikola; Lelas, Damir; Puljak, Ivica; Ribeiro Cipriano, Pedro M; Sculac, Toni; Antunovic, Zeljko; Kovac, Marko; Brigljevic, Vuko; Ferencek, Dinko; Kadija, Kreso; Mesic, Benjamin; Susa, Tatjana; Ather, Mohsan Waseem; Attikis, Alexandros; Mavromanolakis, Georgios; Mousa, Jehad; Nicolaou, Charalambos; Ptochos, Fotios; Razis, Panos A; Rykaczewski, Hans; Finger, Miroslav; Finger Jr, Michael; Carrera Jarrin, Edgar; Ellithi Kamel, Ali; Mahmoud, Mohammed; Radi, Amr; Kadastik, Mario; Perrini, Lucia; Raidal, Martti; Tiko, Andres; Veelken, Christian; Eerola, Paula; Pekkanen, Juska; Voutilainen, Mikko; Härkönen, Jaakko; Jarvinen, Terhi; Karimäki, Veikko; Kinnunen, Ritva; Lampén, Tapio; Lassila-Perini, Kati; Lehti, Sami; Lindén, Tomas; Luukka, Panja-Riina; Tuominiemi, Jorma; Tuovinen, Esa; Wendland, Lauri; Talvitie, Joonas; Tuuva, Tuure; Besancon, Marc; Couderc, Fabrice; Dejardin, Marc; Denegri, Daniel; Fabbro, Bernard; Faure, Jean-Louis; Favaro, Carlotta; Ferri, Federico; Ganjour, Serguei; Ghosh, Saranya; Givernaud, Alain; Gras, Philippe; Hamel de Monchenault, Gautier; Jarry, Patrick; Kucher, Inna; Locci, Elizabeth; Machet, Martina; Malcles, Julie; Rander, John; Rosowsky, André; Titov, Maksym; Abdulsalam, Abdulla; Antropov, Iurii; Baffioni, Stephanie; Beaudette, Florian; Busson, Philippe; Cadamuro, Luca; Chapon, Emilien; Charlot, Claude; Davignon, Olivier; Granier de Cassagnac, Raphael; Jo, Mihee; Lisniak, Stanislav; Miné, Philippe; Nguyen, Matthew; Ochando, Christophe; Ortona, Giacomo; Paganini, Pascal; Pigard, Philipp; Regnard, Simon; Salerno, Roberto; Sirois, Yves; Stahl Leiton, Andre Govinda; Strebler, Thomas; Yilmaz, Yetkin; Zabi, Alexandre; Zghiche, Amina; Agram, Jean-Laurent; Andrea, Jeremy; Bloch, Daniel; Brom, Jean-Marie; Buttignol, Michael; Chabert, Eric Christian; Chanon, Nicolas; Collard, Caroline; Conte, Eric; Coubez, Xavier; Fontaine, Jean-Charles; Gelé, Denis; Goerlach, Ulrich; Le Bihan, Anne-Catherine; Van Hove, Pierre; Gadrat, Sébastien; Beauceron, Stephanie; Bernet, Colin; Boudoul, Gaelle; Carrillo Montoya, Camilo Andres; Chierici, Roberto; Contardo, Didier; Courbon, Benoit; Depasse, Pierre; El Mamouni, Houmani; Fay, Jean; Finco, Linda; Gascon, Susan; Gouzevitch, Maxime; Grenier, Gérald; Ille, Bernard; Lagarde, Francois; Laktineh, Imad Baptiste; Lethuillier, Morgan; Mirabito, Laurent; Pequegnot, Anne-Laure; Perries, Stephane; Popov, Andrey; Sordini, Viola; Vander Donckt, Muriel; Verdier, Patrice; Viret, Sébastien; Khvedelidze, Arsen; Lomidze, David; Autermann, Christian; Beranek, Sarah; Feld, Lutz; Kiesel, Maximilian Knut; Klein, Katja; Lipinski, Martin; Preuten, Marius; Schomakers, Christian; Schulz, Johannes; Verlage, Tobias; Albert, Andreas; Brodski, Michael; Dietz-Laursonn, Erik; Duchardt, Deborah; Endres, Matthias; Erdmann, Martin; Erdweg, Sören; Esch, Thomas; Fischer, Robert; Güth, Andreas; Hamer, Matthias; Hebbeker, Thomas; Heidemann, Carsten; Hoepfner, Kerstin; Knutzen, Simon; Merschmeyer, Markus; Meyer, Arnd; Millet, Philipp; Mukherjee, Swagata; Olschewski, Mark; Padeken, Klaas; Pook, Tobias; Radziej, Markus; Reithler, Hans; Rieger, Marcel; Scheuch, Florian; Sonnenschein, Lars; Teyssier, Daniel; Thüer, Sebastian; Cherepanov, Vladimir; Flügge, Günter; Kargoll, Bastian; Kress, Thomas; Künsken, Andreas; Lingemann, Joschka; Müller, Thomas; Nehrkorn, Alexander; Nowack, Andreas; Pistone, Claudia; Pooth, Oliver; Stahl, Achim; Aldaya Martin, Maria; Arndt, Till; Asawatangtrakuldee, Chayanit; Beernaert, Kelly; Behnke, Olaf; Behrens, Ulf; Bin Anuar, Afiq Aizuddin; Borras, Kerstin; Campbell, Alan; Connor, Patrick; Contreras-Campana, Christian; Costanza, Francesco; Diez Pardos, Carmen; Dolinska, Ganna; Eckerlin, Guenter; Eckstein, Doris; Eichhorn, Thomas; Eren, Engin; Gallo, Elisabetta; Garay Garcia, Jasone; Geiser, Achim; Gizhko, Andrii; Grados Luyando, Juan Manuel; Grohsjean, Alexander; Gunnellini, Paolo; Harb, Ali; Hauk, Johannes; Hempel, Maria; Jung, Hannes; Kalogeropoulos, Alexis; Karacheban, Olena; Kasemann, Matthias; Keaveney, James; Kleinwort, Claus; Korol, Ievgen; Krücker, Dirk; Lange, Wolfgang; Lelek, Aleksandra; Lenz, Teresa; Leonard, Jessica; Lipka, Katerina; Lobanov, Artur; Lohmann, Wolfgang; Mankel, Rainer; Melzer-Pellmann, Isabell-Alissandra; Meyer, Andreas Bernhard; Mittag, Gregor; Mnich, Joachim; Mussgiller, Andreas; Pitzl, Daniel; Placakyte, Ringaile; Raspereza, Alexei; Roland, Benoit; Sahin, Mehmet Özgür; Saxena, Pooja; Schoerner-Sadenius, Thomas; Spannagel, Simon; Stefaniuk, Nazar; Van Onsem, Gerrit Patrick; Walsh, Roberval; Wissing, Christoph; Zenaiev, Oleksandr; Blobel, Volker; Centis Vignali, Matteo; Draeger, Arne-Rasmus; Dreyer, Torben; Garutti, Erika; Gonzalez, Daniel; Haller, Johannes; Hoffmann, Malte; Junkes, Alexandra; Klanner, Robert; Kogler, Roman; Kovalchuk, Nataliia; Kurz, Simon; Lapsien, Tobias; Marchesini, Ivan; Marconi, Daniele; Meyer, Mareike; Niedziela, Marek; Nowatschin, Dominik; Pantaleo, Felice; Peiffer, Thomas; Perieanu, Adrian; Scharf, Christian; Schleper, Peter; Schmidt, Alexander; Schumann, Svenja; Schwandt, Joern; Sonneveld, Jory; Stadie, Hartmut; Steinbrück, Georg; Stober, Fred-Markus Helmut; Stöver, Marc; Tholen, Heiner; Troendle, Daniel; Usai, Emanuele; Vanelderen, Lukas; Vanhoefer, Annika; Vormwald, Benedikt; Akbiyik, Melike; Barth, Christian; Baur, Sebastian; Baus, Colin; Berger, Joram; Butz, Erik; Caspart, René; Chwalek, Thorsten; Colombo, Fabio; De Boer, Wim; Dierlamm, Alexander; Fink, Simon; Freund, Benedikt; Friese, Raphael; Giffels, Manuel; Gilbert, Andrew; Goldenzweig, Pablo; Haitz, Dominik; Hartmann, Frank; Heindl, Stefan Michael; Husemann, Ulrich; Kassel, Florian; Katkov, Igor; Kudella, Simon; Mildner, Hannes; Mozer, Matthias Ulrich; Müller, Thomas; Plagge, Michael; Quast, Gunter; Rabbertz, Klaus; Röcker, Steffen; Roscher, Frank; Schröder, Matthias; Shvetsov, Ivan; Sieber, Georg; Simonis, Hans-Jürgen; Ulrich, Ralf; Wayand, Stefan; Weber, Marc; Weiler, Thomas; Williamson, Shawn; Wöhrmann, Clemens; Wolf, Roger; Anagnostou, Georgios; Daskalakis, Georgios; Geralis, Theodoros; Giakoumopoulou, Viktoria Athina; Kyriakis, Aristotelis; Loukas, Demetrios; Topsis-Giotis, Iasonas; Kesisoglou, Stilianos; Panagiotou, Apostolos; Saoulidou, Niki; Tziaferi, Eirini; Kousouris, Konstantinos; Evangelou, Ioannis; Flouris, Giannis; Foudas, Costas; Kokkas, Panagiotis; Loukas, Nikitas; Manthos, Nikolaos; Papadopoulos, Ioannis; Paradas, Evangelos; Filipovic, Nicolas; Pasztor, Gabriella; Bencze, Gyorgy; Hajdu, Csaba; Horvath, Dezso; Sikler, Ferenc; Veszpremi, Viktor; Vesztergombi, Gyorgy; Zsigmond, Anna Julia; Beni, Noemi; Czellar, Sandor; Karancsi, János; Makovec, Alajos; Molnar, Jozsef; Szillasi, Zoltan; Bartók, Márton; Raics, Peter; Trocsanyi, Zoltan Laszlo; Ujvari, Balazs; Komaragiri, Jyothsna Rani; Bahinipati, Seema; Bhowmik, Sandeep; Choudhury, Somnath; Mal, Prolay; Mandal, Koushik; Nayak, Aruna; Sahoo, Deepak Kumar; Sahoo, Niladribihari; Swain, Sanjay Kumar; Bansal, Sunil; Beri, Suman Bala; Bhatnagar, Vipin; Chawla, Ridhi; Bhawandeep, Bhawandeep; Kalsi, Amandeep Kaur; Kaur, Anterpreet; Kaur, Manjit; Kumar, Ramandeep; Kumari, Priyanka; Mehta, Ankita; Mittal, Monika; Singh, Jasbir; Walia, Genius; Kumar, Ashok; Bhardwaj, Ashutosh; Choudhary, Brajesh C; Garg, Rocky Bala; Keshri, Sumit; Kumar, Ajay; Malhotra, Shivali; Naimuddin, Md; Ranjan, Kirti; Sharma, Ramkrishna; Sharma, Varun; Bhattacharya, Rajarshi; Bhattacharya, Satyaki; Chatterjee, Kalyanmoy; Dey, Sourav; Dutt, Suneel; Dutta, Suchandra; Ghosh, Shamik; Majumdar, Nayana; Modak, Atanu; Mondal, Kuntal; Mukhopadhyay, Supratik; Nandan, Saswati; Purohit, Arnab; Roy, Ashim; Roy, Debarati; Roy Chowdhury, Suvankar; Sarkar, Subir; Sharan, Manoj; Thakur, Shalini; Behera, Prafulla Kumar; Chudasama, Ruchi; Dutta, Dipanwita; Jha, Vishwajeet; Kumar, Vineet; Mohanty, Ajit Kumar; Netrakanti, Pawan Kumar; Pant, Lalit Mohan; Shukla, Prashant; Topkar, Anita; Aziz, Tariq; Dugad, Shashikant; Kole, Gouranga; Mahakud, Bibhuprasad; Mitra, Soureek; Mohanty, Gagan Bihari; Parida, Bibhuti; Sur, Nairit; Sutar, Bajrang; Banerjee, Sudeshna; Dewanjee, Ram Krishna; Ganguly, Sanmay; Guchait, Monoranjan; Jain, Sandhya; Kumar, Sanjeev; Maity, Manas; Majumder, Gobinda; Mazumdar, Kajari; Sarkar, Tanmay; Wickramage, Nadeesha; Chauhan, Shubhanshu; Dube, Sourabh; Hegde, Vinay; Kapoor, Anshul; Kothekar, Kunal; Pandey, Shubham; Rane, Aditee; Sharma, Seema; Chenarani, Shirin; Eskandari Tadavani, Esmaeel; Etesami, Seyed Mohsen; Khakzad, Mohsen; Mohammadi Najafabadi, Mojtaba; Naseri, Mohsen; Paktinat Mehdiabadi, Saeid; Rezaei Hosseinabadi, Ferdos; Safarzadeh, Batool; Zeinali, Maryam; Felcini, Marta; Grunewald, Martin; Abbrescia, Marcello; Calabria, Cesare; Caputo, Claudio; Colaleo, Anna; Creanza, Donato; Cristella, Leonardo; De Filippis, Nicola; De Palma, Mauro; Fiore, Luigi; Iaselli, Giuseppe; Maggi, Giorgio; Maggi, Marcello; Miniello, Giorgia; My, Salvatore; Nuzzo, Salvatore; Pompili, Alexis; Pugliese, Gabriella; Radogna, Raffaella; Ranieri, Antonio; Selvaggi, Giovanna; Sharma, Archana; Silvestris, Lucia; Venditti, Rosamaria; Verwilligen, Piet; Abbiendi, Giovanni; Battilana, Carlo; Bonacorsi, Daniele; Braibant-Giacomelli, Sylvie; Brigliadori, Luca; Campanini, Renato; Capiluppi, Paolo; Castro, Andrea; Cavallo, Francesca Romana; Chhibra, Simranjit Singh; Codispoti, Giuseppe; Cuffiani, Marco; Dallavalle, Gaetano-Marco; Fabbri, Fabrizio; Fanfani, Alessandra; Fasanella, Daniele; Giacomelli, Paolo; Grandi, Claudio; Guiducci, Luigi; Marcellini, Stefano; Masetti, Gianni; Montanari, Alessandro; Navarria, Francesco; Perrotta, Andrea; Rossi, Antonio; Rovelli, Tiziano; Siroli, Gian Piero; Tosi, Nicolò; Albergo, Sebastiano; Costa, Salvatore; Di Mattia, Alessandro; Giordano, Ferdinando; Potenza, Renato; Tricomi, Alessia; Tuve, Cristina; Barbagli, Giuseppe; Ciulli, Vitaliano; Civinini, Carlo; D'Alessandro, Raffaello; Focardi, Ettore; Lenzi, Piergiulio; Meschini, Marco; Paoletti, Simone; Russo, Lorenzo; Sguazzoni, Giacomo; Strom, Derek; Viliani, Lorenzo; Benussi, Luigi; Bianco, Stefano; Fabbri, Franco; Piccolo, Davide; Primavera, Federica; Calvelli, Valerio; Ferro, Fabrizio; Monge, Maria Roberta; Robutti, Enrico; Tosi, Silvano; Brianza, Luca; Brivio, Francesco; Ciriolo, Vincenzo; Dinardo, Mauro Emanuele; Fiorendi, Sara; Gennai, Simone; Ghezzi, Alessio; Govoni, Pietro; Malberti, Martina; Malvezzi, Sandra; Manzoni, Riccardo Andrea; Menasce, Dario; Moroni, Luigi; Paganoni, Marco; Pedrini, Daniele; Pigazzini, Simone; Ragazzi, Stefano; Tabarelli de Fatis, Tommaso; Buontempo, Salvatore; Cavallo, Nicola; De Nardo, Guglielmo; Di Guida, Salvatore; Esposito, Marco; Fabozzi, Francesco; Fienga, Francesco; Iorio, Alberto Orso Maria; Lanza, Giuseppe; Lista, Luca; Meola, Sabino; Paolucci, Pierluigi; Sciacca, Crisostomo; Thyssen, Filip; Azzi, Patrizia; Bacchetta, Nicola; Benato, Lisa; Bisello, Dario; Boletti, Alessio; Carlin, Roberto; Carvalho Antunes De Oliveira, Alexandra; Checchia, Paolo; Dall'Osso, Martino; De Castro Manzano, Pablo; Dorigo, Tommaso; Dosselli, Umberto; Gasparini, Ugo; Gonella, Franco; Lacaprara, Stefano; Margoni, Martino; Meneguzzo, Anna Teresa; Pazzini, Jacopo; Pozzobon, Nicola; Ronchese, Paolo; Rossin, Roberto; Simonetto, Franco; Torassa, Ezio; Ventura, Sandro; Zanetti, Marco; Zotto, Pierluigi; Braghieri, Alessandro; Fallavollita, Francesco; Magnani, Alice; Montagna, Paolo; Ratti, Sergio P; Re, Valerio; Ressegotti, Martina; Riccardi, Cristina; Salvini, Paola; Vai, Ilaria; Vitulo, Paolo; Alunni Solestizi, Luisa; Bilei, Gian Mario; Ciangottini, Diego; Fanò, Livio; Lariccia, Paolo; Leonardi, Roberto; Mantovani, Giancarlo; Mariani, Valentina; Menichelli, Mauro; Saha, Anirban; Santocchia, Attilio; Androsov, Konstantin; Azzurri, Paolo; Bagliesi, Giuseppe; Bernardini, Jacopo; Boccali, Tommaso; Castaldi, Rino; Ciocci, Maria Agnese; Dell'Orso, Roberto; Fedi, Giacomo; Giassi, Alessandro; Grippo, Maria Teresa; Ligabue, Franco; Lomtadze, Teimuraz; Martini, Luca; Messineo, Alberto; Palla, Fabrizio; Rizzi, Andrea; Savoy-Navarro, Aurore; Spagnolo, Paolo; Tenchini, Roberto; Tonelli, Guido; Venturi, Andrea; Verdini, Piero Giorgio; Barone, Luciano; Cavallari, Francesca; Cipriani, Marco; Del Re, Daniele; Diemoz, Marcella; Gelli, Simone; Longo, Egidio; Margaroli, Fabrizio; Marzocchi, Badder; Meridiani, Paolo; Organtini, Giovanni; Paramatti, Riccardo; Preiato, Federico; Rahatlou, Shahram; Rovelli, Chiara; Santanastasio, Francesco; Amapane, Nicola; Arcidiacono, Roberta; Argiro, Stefano; Arneodo, Michele; Bartosik, Nazar; Bellan, Riccardo; Biino, Cristina; Cartiglia, Nicolo; Cenna, Francesca; Costa, Marco; Covarelli, Roberto; Degano, Alessandro; Demaria, Natale; Kiani, Bilal; Mariotti, Chiara; Maselli, Silvia; Migliore, Ernesto; Monaco, Vincenzo; Monteil, Ennio; Monteno, Marco; Obertino, Maria Margherita; Pacher, Luca; Pastrone, Nadia; Pelliccioni, Mario; Pinna Angioni, Gian Luca; Ravera, Fabio; Romero, Alessandra; Ruspa, Marta; Sacchi, Roberto; Shchelina, Ksenia; Sola, Valentina; Solano, Ada; Staiano, Amedeo; Traczyk, Piotr; Belforte, Stefano; Casarsa, Massimo; Cossutti, Fabio; Della Ricca, Giuseppe; Zanetti, Anna; Kim, Dong Hee; Kim, Gui Nyun; Kim, Min Suk; Lee, Jeongeun; Lee, Sangeun; Lee, Seh Wook; Oh, Young Do; Sekmen, Sezen; Son, Dong-Chul; Yang, Yu Chul; Lee, Ari; Kim, Hyunchul; Brochero Cifuentes, Javier Andres; Kim, Tae Jeong; Cho, Sungwoong; Choi, Suyong; Go, Yeonju; Gyun, Dooyeon; Ha, Seungkyu; Hong, Byung-Sik; Jo, Youngkwon; Kim, Yongsun; Lee, Kisoo; Lee, Kyong Sei; Lee, Songkyo; Lim, Jaehoon; Park, Sung Keun; Roh, Youn; Almond, John; Kim, Junho; Lee, Haneol; Oh, Sung Bin; Radburn-Smith, Benjamin Charles; Seo, Seon-hee; Yang, Unki; Yoo, Hwi Dong; Yu, Geum Bong; Choi, Minkyoo; Kim, Hyunyong; Kim, Ji Hyun; Lee, Jason Sang Hun; Park, Inkyu; Ryu, Geonmo; Ryu, Min Sang; Choi, Young-Il; Goh, Junghwan; Hwang, Chanwook; Lee, Jongseok; Yu, Intae; Dudenas, Vytautas; Juodagalvis, Andrius; Vaitkus, Juozas; Ahmed, Ijaz; Ibrahim, Zainol Abidin; Md Ali, Mohd Adli Bin; Mohamad Idris, Faridah; Wan Abdullah, Wan Ahmad Tajuddin; Yusli, Mohd Nizam; Zolkapli, Zukhaimira; Castilla-Valdez, Heriberto; De La Cruz-Burelo, Eduard; Heredia-De La Cruz, Ivan; Lopez-Fernandez, Ricardo; Magaña Villalba, Ricardo; Mejia Guisao, Jhovanny; Sánchez Hernández, Alberto; Carrillo Moreno, Salvador; Oropeza Barrera, Cristina; Vazquez Valencia, Fabiola; Carpinteyro, Severiano; Pedraza, Isabel; Salazar Ibarguen, Humberto Antonio; Uribe Estrada, Cecilia; Morelos Pineda, Antonio; Krofcheck, David; Butler, Philip H; Ahmad, Ashfaq; Ahmad, Muhammad; Hassan, Qamar; Hoorani, Hafeez R; Khan, Wajid Ali; Saddique, Asif; Shah, Mehar Ali; Shoaib, Muhammad; Waqas, Muhammad; Bialkowska, Helena; Bluj, Michal; Boimska, Bożena; Frueboes, Tomasz; Górski, Maciej; Kazana, Malgorzata; Nawrocki, Krzysztof; Romanowska-Rybinska, Katarzyna; Szleper, Michal; Zalewski, Piotr; Bunkowski, Karol; Byszuk, Adrian; Doroba, Krzysztof; Kalinowski, Artur; Konecki, Marcin; Krolikowski, Jan; Misiura, Maciej; Olszewski, Michal; Pyskir, Andrzej; Walczak, Marek; Bargassa, Pedrame; Beirão Da Cruz E Silva, Cristóvão; Calpas, Betty; Di Francesco, Agostino; Faccioli, Pietro; Gallinaro, Michele; Hollar, Jonathan; Leonardo, Nuno; Lloret Iglesias, Lara; Nemallapudi, Mythra Varun; Seixas, Joao; Toldaiev, Oleksii; Vadruccio, Daniele; Varela, Joao; Afanasiev, Serguei; Bunin, Pavel; Gavrilenko, Mikhail; Golutvin, Igor; Gorbunov, Ilya; Kamenev, Alexey; Karjavin, Vladimir; Lanev, Alexander; Malakhov, Alexander; Matveev, Viktor; Palichik, Vladimir; Perelygin, Victor; Shmatov, Sergey; Shulha, Siarhei; Skatchkov, Nikolai; Smirnov, Vitaly; Voytishin, Nikolay; Zarubin, Anatoli; Chtchipounov, Leonid; Golovtsov, Victor; Ivanov, Yury; Kim, Victor; Kuznetsova, Ekaterina; Murzin, Victor; Oreshkin, Vadim; Sulimov, Valentin; Vorobyev, Alexey; Andreev, Yuri; Dermenev, Alexander; Gninenko, Sergei; Golubev, Nikolai; Karneyeu, Anton; Kirsanov, Mikhail; Krasnikov, Nikolai; Pashenkov, Anatoli; Tlisov, Danila; Toropin, Alexander; Epshteyn, Vladimir; Gavrilov, Vladimir; Lychkovskaya, Natalia; Popov, Vladimir; Pozdnyakov, Ivan; Safronov, Grigory; Spiridonov, Alexander; Toms, Maria; Vlasov, Evgueni; Zhokin, Alexander; Aushev, Tagir; Bylinkin, Alexander; Danilov, Mikhail; Popova, Elena; Rusinov, Vladimir; Andreev, Vladimir; Azarkin, Maksim; Dremin, Igor; Kirakosyan, Martin; Leonidov, Andrey; Terkulov, Adel; Baskakov, Alexey; Belyaev, Andrey; Boos, Edouard; Bunichev, Viacheslav; Dubinin, Mikhail; Dudko, Lev; Ershov, Alexander; Klyukhin, Vyacheslav; Korneeva, Natalia; Lokhtin, Igor; Miagkov, Igor; Obraztsov, Stepan; Perfilov, Maxim; Savrin, Viktor; Volkov, Petr; Blinov, Vladimir; Skovpen, Yuri; Shtol, Dmitry; Azhgirey, Igor; Bayshev, Igor; Bitioukov, Sergei; Elumakhov, Dmitry; Kachanov, Vassili; Kalinin, Alexey; Konstantinov, Dmitri; Krychkine, Victor; Petrov, Vladimir; Ryutin, Roman; Sobol, Andrei; Troshin, Sergey; Tyurin, Nikolay; Uzunian, Andrey; Volkov, Alexey; Adzic, Petar; Cirkovic, Predrag; Devetak, Damir; Dordevic, Milos; Milosevic, Jovan; Rekovic, Vladimir; Alcaraz Maestre, Juan; Barrio Luna, Mar; Calvo, Enrique; Cerrada, Marcos; Chamizo Llatas, Maria; Colino, Nicanor; De La Cruz, Begona; Delgado Peris, Antonio; Escalante Del Valle, Alberto; Fernandez Bedoya, Cristina; Fernández Ramos, Juan Pablo; Flix, Jose; Fouz, Maria Cruz; Garcia-Abia, Pablo; Gonzalez Lopez, Oscar; Goy Lopez, Silvia; Hernandez, Jose M; Josa, Maria Isabel; Navarro De Martino, Eduardo; Pérez-Calero Yzquierdo, Antonio María; Puerta Pelayo, Jesus; Quintario Olmeda, Adrián; Redondo, Ignacio; Romero, Luciano; Senghi Soares, Mara; de Trocóniz, Jorge F; Missiroli, Marino; Moran, Dermot; Cuevas, Javier; Erice, Carlos; Fernandez Menendez, Javier; Gonzalez Caballero, Isidro; González Fernández, Juan Rodrigo; Palencia Cortezon, Enrique; Sanchez Cruz, Sergio; Suárez Andrés, Ignacio; Vischia, Pietro; Vizan Garcia, Jesus Manuel; Cabrillo, Iban Jose; Calderon, Alicia; Curras, Esteban; Fernandez, Marcos; Garcia-Ferrero, Juan; Gomez, Gervasio; Lopez Virto, Amparo; Marco, Jesus; Martinez Rivero, Celso; Matorras, Francisco; Piedra Gomez, Jonatan; Rodrigo, Teresa; Ruiz-Jimeno, Alberto; Scodellaro, Luca; Trevisani, Nicolò; Vila, Ivan; Vilar Cortabitarte, Rocio; Abbaneo, Duccio; Auffray, Etiennette; Auzinger, Georg; Baillon, Paul; Ball, Austin; Barney, David; Bloch, Philippe; Bocci, Andrea; Botta, Cristina; Camporesi, Tiziano; Castello, Roberto; Cepeda, Maria; Cerminara, Gianluca; Chen, Yi; Cimmino, Anna; D'Enterria, David; Dabrowski, Anne; Daponte, Vincenzo; David Tinoco Mendes, Andre; De Gruttola, Michele; De Roeck, Albert; Di Marco, Emanuele; Dobson, Marc; Dorney, Brian; Du Pree, Tristan; Duggan, Daniel; Dünser, Marc; Dupont, Niels; Elliott-Peisert, Anna; Everaerts, Pieter; Fartoukh, Stephane; Franzoni, Giovanni; Fulcher, Jonathan; Funk, Wolfgang; Gigi, Dominique; Gill, Karl; Girone, Maria; Glege, Frank; Gulhan, Doga; Gundacker, Stefan; Guthoff, Moritz; Harris, Philip; Hegeman, Jeroen; Innocente, Vincenzo; Janot, Patrick; Kieseler, Jan; Kirschenmann, Henning; Knünz, Valentin; Kornmayer, Andreas; Kortelainen, Matti J; Krammer, Manfred; Lange, Clemens; Lecoq, Paul; Lourenco, Carlos; Lucchini, Marco Toliman; Malgeri, Luca; Mannelli, Marcello; Martelli, Arabella; Meijers, Frans; Merlin, Jeremie Alexandre; Mersi, Stefano; Meschi, Emilio; Milenovic, Predrag; Moortgat, Filip; Morovic, Srecko; Mulders, Martijn; Neugebauer, Hannes; Orfanelli, Styliani; Orsini, Luciano; Pape, Luc; Perez, Emmanuel; Peruzzi, Marco; Petrilli, Achille; Petrucciani, Giovanni; Pfeiffer, Andreas; Pierini, Maurizio; Racz, Attila; Reis, Thomas; Rolandi, Gigi; Rovere, Marco; Sakulin, Hannes; Sauvan, Jean-Baptiste; Schäfer, Christoph; Schwick, Christoph; Seidel, Markus; Sharma, Archana; Silva, Pedro; Sphicas, Paraskevas; Steggemann, Jan; Stoye, Markus; Takahashi, Yuta; Tosi, Mia; Treille, Daniel; Triossi, Andrea; Tsirou, Andromachi; Veckalns, Viesturs; Veres, Gabor Istvan; Verweij, Marta; Wardle, Nicholas; Wöhri, Hermine Katharina; Zagoździńska, Agnieszka; Zeuner, Wolfram Dietrich; Bertl, Willi; Deiters, Konrad; Erdmann, Wolfram; Horisberger, Roland; Ingram, Quentin; Kaestli, Hans-Christian; Kotlinski, Danek; Langenegger, Urs; Rohe, Tilman; Wiederkehr, Stephan Albert; Bachmair, Felix; Bäni, Lukas; Bianchini, Lorenzo; Casal, Bruno; Dissertori, Günther; Dittmar, Michael; Donegà, Mauro; Grab, Christoph; Heidegger, Constantin; Hits, Dmitry; Hoss, Jan; Kasieczka, Gregor; Lustermann, Werner; Mangano, Boris; Marionneau, Matthieu; Martinez Ruiz del Arbol, Pablo; Masciovecchio, Mario; Meinhard, Maren Tabea; Meister, Daniel; Micheli, Francesco; Musella, Pasquale; Nessi-Tedaldi, Francesca; Pandolfi, Francesco; Pata, Joosep; Pauss, Felicitas; Perrin, Gaël; Perrozzi, Luca; Quittnat, Milena; Rossini, Marco; Schönenberger, Myriam; Starodumov, Andrei; Tavolaro, Vittorio Raoul; Theofilatos, Konstantinos; Wallny, Rainer; Aarrestad, Thea Klaeboe; Amsler, Claude; Caminada, Lea; Canelli, Maria Florencia; De Cosa, Annapaola; Donato, Silvio; Galloni, Camilla; Hinzmann, Andreas; Hreus, Tomas; Kilminster, Benjamin; Ngadiuba, Jennifer; Pinna, Deborah; Rauco, Giorgia; Robmann, Peter; Salerno, Daniel; Seitz, Claudia; Yang, Yong; Zucchetta, Alberto; Candelise, Vieri; Doan, Thi Hien; Jain, Shilpi; Khurana, Raman; Konyushikhin, Maxim; Kuo, Chia-Ming; Lin, Willis; Pozdnyakov, Andrey; Yu, Shin-Shan; Kumar, Arun; Chang, Paoti; Chang, You-Hao; Chao, Yuan; Chen, Kai-Feng; Chen, Po-Hsun; Fiori, Francesco; Hou, George Wei-Shu; Hsiung, Yee; Liu, Yueh-Feng; Lu, Rong-Shyang; Miñano Moya, Mercedes; Paganis, Efstathios; Psallidas, Andreas; Tsai, Jui-fa; Asavapibhop, Burin; Singh, Gurpreet; Srimanobhas, Norraphat; Suwonjandee, Narumon; Adiguzel, Aytul; Boran, Fatma; Cerci, Salim; Damarseckin, Serdal; Demiroglu, Zuhal Seyma; Dozen, Candan; Dumanoglu, Isa; Girgis, Semiray; Gokbulut, Gul; Guler, Yalcin; Hos, Ilknur; Kangal, Evrim Ersin; Kara, Ozgun; Kiminsu, Ugur; Oglakci, Mehmet; Onengut, Gulsen; Ozdemir, Kadri; Sunar Cerci, Deniz; Tali, Bayram; Topakli, Huseyin; Turkcapar, Semra; Zorbakir, Ibrahim Soner; Zorbilmez, Caglar; Bilin, Bugra; Bilmis, Selcuk; Isildak, Bora; Karapinar, Guler; Yalvac, Metin; Zeyrek, Mehmet; Gülmez, Erhan; Kaya, Mithat; Kaya, Ozlem; Yetkin, Elif Asli; Yetkin, Taylan; Cakir, Altan; Cankocak, Kerem; Sen, Sercan; Grynyov, Boris; Levchuk, Leonid; Sorokin, Pavel; Aggleton, Robin; Ball, Fionn; Beck, Lana; Brooke, James John; Burns, Douglas; Clement, Emyr; Cussans, David; Flacher, Henning; Goldstein, Joel; Grimes, Mark; Heath, Greg P; Heath, Helen F; Jacob, Jeson; Kreczko, Lukasz; Lucas, Chris; Newbold, Dave M; Paramesvaran, Sudarshan; Poll, Anthony; Sakuma, Tai; Seif El Nasr-storey, Sarah; Smith, Dominic; Smith, Vincent J; Bell, Ken W; Belyaev, Alexander; Brew, Christopher; Brown, Robert M; Calligaris, Luigi; Cieri, Davide; Cockerill, David JA; Coughlan, John A; Harder, Kristian; Harper, Sam; Olaiya, Emmanuel; Petyt, David; Shepherd-Themistocleous, Claire; Thea, Alessandro; Tomalin, Ian R; Williams, Thomas; Baber, Mark; Bainbridge, Robert; Buchmuller, Oliver; Bundock, Aaron; Casasso, Stefano; Citron, Matthew; Colling, David; Corpe, Louie; Dauncey, Paul; Davies, Gavin; De Wit, Adinda; Della Negra, Michel; Di Maria, Riccardo; Dunne, Patrick; Elwood, Adam; Futyan, David; Haddad, Yacine; Hall, Geoffrey; Iles, Gregory; James, Thomas; Lane, Rebecca; Laner, Christian; Lyons, Louis; Magnan, Anne-Marie; Malik, Sarah; Mastrolorenzo, Luca; Nash, Jordan; Nikitenko, Alexander; Pela, Joao; Penning, Bjoern; Pesaresi, Mark; Raymond, David Mark; Richards, Alexander; Rose, Andrew; Scott, Edward; Seez, Christopher; Summers, Sioni; Tapper, Alexander; Uchida, Kirika; Vazquez Acosta, Monica; Virdee, Tejinder; Wright, Jack; Zenz, Seth Conrad; Cole, Joanne; Hobson, Peter R; Khan, Akram; Kyberd, Paul; Reid, Ivan; Symonds, Philip; Teodorescu, Liliana; Turner, Mark; Borzou, Ahmad; Call, Kenneth; Dittmann, Jay; Hatakeyama, Kenichi; Liu, Hongxuan; Pastika, Nathaniel; Bartek, Rachel; Dominguez, Aaron; Buccilli, Andrew; Cooper, Seth; Henderson, Conor; Rumerio, Paolo; West, Christopher; Arcaro, Daniel; Avetisyan, Aram; Bose, Tulika; Gastler, Daniel; Rankin, Dylan; Richardson, Clint; Rohlf, James; Sulak, Lawrence; Zou, David; Benelli, Gabriele; Cutts, David; Garabedian, Alex; Hakala, John; Heintz, Ulrich; Hogan, Julie Managan; Jesus, Orduna; Kwok, Ka Hei Martin; Laird, Edward; Landsberg, Greg; Mao, Zaixing; Narain, Meenakshi; Piperov, Stefan; Sagir, Sinan; Spencer, Eric; Syarif, Rizki; Breedon, Richard; Burns, Dustin; Calderon De La Barca Sanchez, Manuel; Chauhan, Sushil; Chertok, Maxwell; Conway, John; Conway, Rylan; Cox, Peter Timothy; Erbacher, Robin; Flores, Chad; Funk, Garrett; Gardner, Michael; Ko, Winston; Lander, Richard; Mclean, Christine; Mulhearn, Michael; Pellett, Dave; Pilot, Justin; Shalhout, Shalhout; Shi, Mengyao; Smith, John; Squires, Michael; Stolp, Dustin; Tos, Kyle; Tripathi, Mani; Bachtis, Michail; Bravo, Cameron; Cousins, Robert; Dasgupta, Abhigyan; Florent, Alice; Hauser, Jay; Ignatenko, Mikhail; Mccoll, Nickolas; Saltzberg, David; Schnaible, Christian; Valuev, Vyacheslav; Weber, Matthias; Bouvier, Elvire; Burt, Kira; Clare, Robert; Ellison, John Anthony; Gary, J William; Ghiasi Shirazi, Seyyed Mohammad Amin; Hanson, Gail; Heilman, Jesse; Jandir, Pawandeep; Kennedy, Elizabeth; Lacroix, Florent; Long, Owen Rosser; Olmedo Negrete, Manuel; Paneva, Mirena Ivova; Shrinivas, Amithabh; Si, Weinan; Wei, Hua; Wimpenny, Stephen; Yates, Brent; Branson, James G; Cerati, Giuseppe Benedetto; Cittolin, Sergio; Derdzinski, Mark; Gerosa, Raffaele; Holzner, André; Klein, Daniel; Krutelyov, Vyacheslav; Letts, James; Macneill, Ian; Olivito, Dominick; Padhi, Sanjay; Pieri, Marco; Sani, Matteo; Sharma, Vivek; Simon, Sean; Tadel, Matevz; Vartak, Adish; Wasserbaech, Steven; Welke, Charles; Wood, John; Würthwein, Frank; Yagil, Avraham; Zevi Della Porta, Giovanni; Amin, Nick; Bhandari, Rohan; Bradmiller-Feld, John; Campagnari, Claudio; Dishaw, Adam; Dutta, Valentina; Franco Sevilla, Manuel; George, Christopher; Golf, Frank; Gouskos, Loukas; Gran, Jason; Heller, Ryan; Incandela, Joe; Mullin, Sam Daniel; Ovcharova, Ana; Qu, Huilin; Richman, Jeffrey; Stuart, David; Suarez, Indara; Yoo, Jaehyeok; Anderson, Dustin; Bendavid, Joshua; Bornheim, Adolf; Bunn, Julian; Duarte, Javier; Lawhorn, Jay Mathew; Mott, Alexander; Newman, Harvey B; Pena, Cristian; Spiropulu, Maria; Vlimant, Jean-Roch; Xie, Si; Zhu, Ren-Yuan; Andrews, Michael Benjamin; Ferguson, Thomas; Paulini, Manfred; Russ, James; Sun, Menglei; Vogel, Helmut; Vorobiev, Igor; Weinberg, Marc; Cumalat, John Perry; Ford, William T; Jensen, Frank; Johnson, Andrew; Krohn, Michael; Leontsinis, Stefanos; Mulholland, Troy; Stenson, Kevin; Wagner, Stephen Robert; Alexander, James; Chaves, Jorge; Chu, Jennifer; Dittmer, Susan; Mcdermott, Kevin; Mirman, Nathan; Patterson, Juliet Ritchie; Rinkevicius, Aurelijus; Ryd, Anders; Skinnari, Louise; Soffi, Livia; Tan, Shao Min; Tao, Zhengcheng; Thom, Julia; Tucker, Jordan; Wittich, Peter; Zientek, Margaret; Winn, Dave; Abdullin, Salavat; Albrow, Michael; Apollinari, Giorgio; Apresyan, Artur; Banerjee, Sunanda; Bauerdick, Lothar AT; Beretvas, Andrew; Berryhill, Jeffrey; Bhat, Pushpalatha C; Bolla, Gino; Burkett, Kevin; Butler, Joel Nathan; Cheung, Harry; Chlebana, Frank; Cihangir, Selcuk; Cremonesi, Matteo; Elvira, Victor Daniel; Fisk, Ian; Freeman, Jim; Gottschalk, Erik; Gray, Lindsey; Green, Dan; Grünendahl, Stefan; Gutsche, Oliver; Hare, Daryl; Harris, Robert M; Hasegawa, Satoshi; Hirschauer, James; Hu, Zhen; Jayatilaka, Bodhitha; Jindariani, Sergo; Johnson, Marvin; Joshi, Umesh; Klima, Boaz; Kreis, Benjamin; Lammel, Stephan; Linacre, Jacob; Lincoln, Don; Lipton, Ron; Liu, Miaoyuan; Liu, Tiehui; Lopes De Sá, Rafael; Lykken, Joseph; Maeshima, Kaori; Magini, Nicolo; Marraffino, John Michael; Maruyama, Sho; Mason, David; McBride, Patricia; Merkel, Petra; Mrenna, Stephen; Nahn, Steve; O'Dell, Vivian; Pedro, Kevin; Prokofyev, Oleg; Rakness, Gregory; Ristori, Luciano; Sexton-Kennedy, Elizabeth; Soha, Aron; Spalding, William J; Spiegel, Leonard; Stoynev, Stoyan; Strait, James; Strobbe, Nadja; Taylor, Lucas; Tkaczyk, Slawek; Tran, Nhan Viet; Uplegger, Lorenzo; Vaandering, Eric Wayne; Vernieri, Caterina; Verzocchi, Marco; Vidal, Richard; Wang, Michael; Weber, Hannsjoerg Artur; Whitbeck, Andrew; Wu, Yujun; Acosta, Darin; Avery, Paul; Bortignon, Pierluigi; Bourilkov, Dimitri; Brinkerhoff, Andrew; Carnes, Andrew; Carver, Matthew; Curry, David; Das, Souvik; Field, Richard D; Furic, Ivan-Kresimir; Konigsberg, Jacobo; Korytov, Andrey; Low, Jia Fu; Ma, Peisen; Matchev, Konstantin; Mei, Hualin; Mitselmakher, Guenakh; Rank, Douglas; Shchutska, Lesya; Sperka, David; Thomas, Laurent; Wang, Jian; Wang, Sean-Jiun; Yelton, John; Linn, Stephan; Markowitz, Pete; Martinez, German; Rodriguez, Jorge Luis; Ackert, Andrew; Adams, Todd; Askew, Andrew; Bein, Samuel; Hagopian, Sharon; Hagopian, Vasken; Johnson, Kurtis F; Kolberg, Ted; Perry, Thomas; Prosper, Harrison; Santra, Arka; Yohay, Rachel; Baarmand, Marc M; Bhopatkar, Vallary; Colafranceschi, Stefano; Hohlmann, Marcus; Noonan, Daniel; Roy, Titas; Yumiceva, Francisco; Adams, Mark Raymond; Apanasevich, Leonard; Berry, Douglas; Betts, Russell Richard; Cavanaugh, Richard; Chen, Xuan; Evdokimov, Olga; Gerber, Cecilia Elena; Hangal, Dhanush Anil; Hofman, David Jonathan; Jung, Kurt; Kamin, Jason; Sandoval Gonzalez, Irving Daniel; Trauger, Hallie; Varelas, Nikos; Wang, Hui; Wu, Zhenbin; Zhang, Jingyu; Bilki, Burak; Clarida, Warren; Dilsiz, Kamuran; Durgut, Süleyman; Gandrajula, Reddy Pratap; Haytmyradov, Maksat; Khristenko, Viktor; Merlo, Jean-Pierre; Mermerkaya, Hamit; Mestvirishvili, Alexi; Moeller, Anthony; Nachtman, Jane; Ogul, Hasan; Onel, Yasar; Ozok, Ferhat; Penzo, Aldo; Snyder, Christina; Tiras, Emrah; Wetzel, James; Yi, Kai; Blumenfeld, Barry; Cocoros, Alice; Eminizer, Nicholas; Fehling, David; Feng, Lei; Gritsan, Andrei; Maksimovic, Petar; Roskes, Jeffrey; Sarica, Ulascan; Swartz, Morris; Xiao, Meng; You, Can; Al-bataineh, Ayman; Baringer, Philip; Bean, Alice; Boren, Samuel; Bowen, James; Castle, James; Forthomme, Laurent; Khalil, Sadia; Kropivnitskaya, Anna; Majumder, Devdatta; Mcbrayer, William; Murray, Michael; Sanders, Stephen; Stringer, Robert; Tapia Takaki, Daniel; Wang, Quan; Ivanov, Andrew; Kaadze, Ketino; Maravin, Yurii; Mohammadi, Abdollah; Saini, Lovedeep Kaur; Skhirtladze, Nikoloz; Toda, Sachiko; Rebassoo, Finn; Wright, Douglas; Anelli, Christopher; Baden, Drew; Baron, Owen; Belloni, Alberto; Calvert, Brian; Eno, Sarah Catherine; Ferraioli, Charles; Gomez, Jaime; Hadley, Nicholas John; Jabeen, Shabnam; Jeng, Geng-Yuan; Kellogg, Richard G; Kunkle, Joshua; Mignerey, Alice; Ricci-Tam, Francesca; Shin, Young Ho; Skuja, Andris; Tonjes, Marguerite; Tonwar, Suresh C; Abercrombie, Daniel; Allen, Brandon; Apyan, Aram; Azzolini, Virginia; Barbieri, Richard; Baty, Austin; Bi, Ran; Bierwagen, Katharina; Brandt, Stephanie; Busza, Wit; Cali, Ivan Amos; D'Alfonso, Mariarosaria; Demiragli, Zeynep; Gomez Ceballos, Guillelmo; Goncharov, Maxim; Hsu, Dylan; Iiyama, Yutaro; Innocenti, Gian Michele; Klute, Markus; Kovalskyi, Dmytro; Krajczar, Krisztian; Lai, Yue Shi; Lee, Yen-Jie; Levin, Andrew; Luckey, Paul David; Maier, Benedikt; Marini, Andrea Carlo; Mcginn, Christopher; Mironov, Camelia; Narayanan, Siddharth; Niu, Xinmei; Paus, Christoph; Roland, Christof; Roland, Gunther; Salfeld-Nebgen, Jakob; Stephans, George; Tatar, Kaya; Velicanu, Dragos; Wang, Jing; Wang, Ta-Wei; Wyslouch, Bolek; Benvenuti, Alberto; Chatterjee, Rajdeep Mohan; Evans, Andrew; Hansen, Peter; Kalafut, Sean; Kao, Shih-Chuan; Kubota, Yuichi; Lesko, Zachary; Mans, Jeremy; Nourbakhsh, Shervin; Ruckstuhl, Nicole; Rusack, Roger; Tambe, Norbert; Turkewitz, Jared; Acosta, John Gabriel; Oliveros, Sandra; Avdeeva, Ekaterina; Bloom, Kenneth; Claes, Daniel R; Fangmeier, Caleb; Gonzalez Suarez, Rebeca; Kamalieddin, Rami; Kravchenko, Ilya; Malta Rodrigues, Alan; Monroy, Jose; Siado, Joaquin Emilo; Snow, Gregory R; Stieger, Benjamin; Alyari, Maral; Dolen, James; Godshalk, Andrew; Harrington, Charles; Iashvili, Ia; Kaisen, Josh; Nguyen, Duong; Parker, Ashley; Rappoccio, Salvatore; Roozbahani, Bahareh; Alverson, George; Barberis, Emanuela; Hortiangtham, Apichart; Massironi, Andrea; Morse, David Michael; Nash, David; Orimoto, Toyoko; Teixeira De Lima, Rafael; Trocino, Daniele; Wang, Ren-Jie; Wood, Darien; Bhattacharya, Saptaparna; Charaf, Otman; Hahn, Kristan Allan; Mucia, Nicholas; Odell, Nathaniel; Pollack, Brian; Schmitt, Michael Henry; Sung, Kevin; Trovato, Marco; Velasco, Mayda; Dev, Nabarun; Hildreth, Michael; Hurtado Anampa, Kenyi; Jessop, Colin; Karmgard, Daniel John; Kellams, Nathan; Lannon, Kevin; Marinelli, Nancy; Meng, Fanbo; Mueller, Charles; Musienko, Yuri; Planer, Michael; Reinsvold, Allison; Ruchti, Randy; Rupprecht, Nathaniel; Smith, Geoffrey; Taroni, Silvia; Wayne, Mitchell; Wolf, Matthias; Woodard, Anna; Alimena, Juliette; Antonelli, Louis; Bylsma, Ben; Durkin, Lloyd Stanley; Flowers, Sean; Francis, Brian; Hart, Andrew; Hill, Christopher; Ji, Weifeng; Liu, Bingxuan; Luo, Wuming; Puigh, Darren; Winer, Brian L; Wulsin, Howard Wells; Cooperstein, Stephane; Driga, Olga; Elmer, Peter; Hardenbrook, Joshua; Hebda, Philip; Lange, David; Luo, Jingyu; Marlow, Daniel; Medvedeva, Tatiana; Mei, Kelvin; Ojalvo, Isabel; Olsen, James; Palmer, Christopher; Piroué, Pierre; Stickland, David; Svyatkovskiy, Alexey; Tully, Christopher; Malik, Sudhir; Barker, Anthony; Barnes, Virgil E; Folgueras, Santiago; Gutay, Laszlo; Jha, Manoj; Jones, Matthew; Jung, Andreas Werner; Khatiwada, Ajeeta; Miller, David Harry; Neumeister, Norbert; Schulte, Jan-Frederik; Shi, Xin; Sun, Jian; Wang, Fuqiang; Xie, Wei; Parashar, Neeti; Stupak, John; Adair, Antony; Akgun, Bora; Chen, Zhenyu; Ecklund, Karl Matthew; Geurts, Frank JM; Guilbaud, Maxime; Li, Wei; Michlin, Benjamin; Northup, Michael; Padley, Brian Paul; Roberts, Jay; Rorie, Jamal; Tu, Zhoudunming; Zabel, James; Betchart, Burton; Bodek, Arie; de Barbaro, Pawel; Demina, Regina; Duh, Yi-ting; Ferbel, Thomas; Galanti, Mario; Garcia-Bellido, Aran; Han, Jiyeon; Hindrichs, Otto; Khukhunaishvili, Aleko; Lo, Kin Ho; Tan, Ping; Verzetti, Mauro; Agapitos, Antonis; Chou, John Paul; Gershtein, Yuri; Gómez Espinosa, Tirso Alejandro; Halkiadakis, Eva; Heindl, Maximilian; Hughes, Elliot; Kaplan, Steven; Kunnawalkam Elayavalli, Raghav; Kyriacou, Savvas; Lath, Amitabh; Montalvo, Roy; Nash, Kevin; Osherson, Marc; Saka, Halil; Salur, Sevil; Schnetzer, Steve; Sheffield, David; Somalwar, Sunil; Stone, Robert; Thomas, Scott; Thomassen, Peter; Walker, Matthew; Delannoy, Andrés G; Foerster, Mark; Heideman, Joseph; Riley, Grant; Rose, Keith; Spanier, Stefan; Thapa, Krishna; Bouhali, Othmane; Celik, Ali; Dalchenko, Mykhailo; De Mattia, Marco; Delgado, Andrea; Dildick, Sven; Eusebi, Ricardo; Gilmore, Jason; Huang, Tao; Juska, Evaldas; Kamon, Teruki; Mueller, Ryan; Pakhotin, Yuriy; Patel, Rishi; Perloff, Alexx; Perniè, Luca; Rathjens, Denis; Safonov, Alexei; Tatarinov, Aysen; Ulmer, Keith; Akchurin, Nural; Damgov, Jordan; De Guio, Federico; Dragoiu, Cosmin; Dudero, Phillip Russell; Faulkner, James; Gurpinar, Emine; Kunori, Shuichi; Lamichhane, Kamal; Lee, Sung Won; Libeiro, Terence; Peltola, Timo; Undleeb, Sonaina; Volobouev, Igor; Wang, Zhixing; Greene, Senta; Gurrola, Alfredo; Janjam, Ravi; Johns, Willard; Maguire, Charles; Melo, Andrew; Ni, Hong; Sheldon, Paul; Tuo, Shengquan; Velkovska, Julia; Xu, Qiao; Arenton, Michael Wayne; Barria, Patrizia; Cox, Bradley; Hirosky, Robert; Ledovskoy, Alexander; Li, Hengne; Neu, Christopher; Sinthuprasith, Tutanon; Sun, Xin; Wang, Yanchu; Wolfe, Evan; Xia, Fan; Clarke, Christopher; Harr, Robert; Karchin, Paul Edmund; Sturdy, Jared; Zaleski, Shawn; Belknap, Donald; Buchanan, James; Caillol, Cécile; Dasu, Sridhara; Dodd, Laura; Duric, Senka; Gomber, Bhawna; Grothe, Monika; Herndon, Matthew; Hervé, Alain; Hussain, Usama; Klabbers, Pamela; Lanaro, Armando; Levine, Aaron; Long, Kenneth; Loveless, Richard; Pierro, Giuseppe Antonio; Polese, Giovanni; Ruggles, Tyler; Savin, Alexander; Smith, Nicholas; Smith, Wesley H; Taylor, Devin; Woods, Nathaniel
2017-07-11
Normalized double-differential cross sections for top quark pair ($ \\mathrm{ t \\bar{t} } $) production are measured in pp collisions at a centre-of-mass energy of 8 TeV with the CMS experiment at the LHC. The analyzed data correspond to an integrated luminosity of 19.7 fb$^{-1}$. The measurement is performed in the dilepton $\\mathrm{ e }^{\\pm}\\mu^{\\mp}$ final state. The $ \\mathrm{ t \\bar{t} } $ cross section is determined as a function of various pairs of observables characterizing the kinematics of the top quark and $ \\mathrm{ t \\bar{t} } $ system. The data are compared to calculations using perturbative quantum chromodynamics at next-to-leading and approximate next-to-next-to-leading orders. They are also compared to predictions of Monte Carlo event generators that complement fixed-order computations with parton showers, hadronization, and multiple-parton interactions. Overall agreement is observed with the predictions, which is improved when the latest global sets of proton parton distribution functions ar...
Adatom pair distribution up to half coverage: O-Pd(100)
Kappus, Wolfgang
2017-01-01
Using substrate mediated elastic interactions fitted previously to first principles (FP) calculations, adatom pair distributions are derived for O-Pd(100) evaluating a statistical BGY based integral equation. The evaluation method utilizes the superposition approximation, a temperature scaling scheme, and for one variant the particle-hole symmetry of a pair interaction lattice gas Hamiltonian. The elastic Hamiltonian is taken from a previous 3 parameter analytical model. The resulting adatom ...
Collision-induced absorption intensity redistribution and the atomic pair polarizabilities
International Nuclear Information System (INIS)
Bulanin, M. O.
1997-01-01
A modified relation between the trace polarizability of a diatom and the S(-2) dipole sum is proposed that accounts for the effect of atomic collisions on the dipole oscillator strength distribution. Contribution to the collision-induced trace due to redistribution in the ionization continuum of Ar is evaluated and is found to be significant
Pinning down the large-x gluon with NNLO top-quark pair differential distributions
Energy Technology Data Exchange (ETDEWEB)
Czakon, Michał [Institut für Theoretische Teilchenphysik und Kosmologie, RWTH Aachen University,D-52056 Aachen (Germany); Hartland, Nathan P. [Department of Physics and Astronomy, VU University Amsterdam,De Boelelaan 1081, NL-1081, HV Amsterdam (Netherlands); Nikhef,Science Park 105, NL-1098 XG Amsterdam (Netherlands); Mitov, Alexander [Cavendish Laboratory, University of Cambridge,Cambridge CB3 0HE (United Kingdom); Nocera, Emanuele R. [Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, OX1 3NP, Oxford (United Kingdom); Rojo, Juan [Department of Physics and Astronomy, VU University Amsterdam,De Boelelaan 1081, NL-1081, HV Amsterdam (Netherlands); Nikhef,Science Park 105, NL-1098 XG Amsterdam (Netherlands)
2017-04-10
Top-quark pair production at the LHC is directly sensitive to the gluon PDF at large x. While total cross-section data is already included in several PDF determinations, differential distributions are not, because the corresponding NNLO calculations have become available only recently. In this work we study the impact on the large-x gluon of top-quark pair differential distributions measured by ATLAS and CMS at √s=8 TeV. Our analysis, performed in the NNPDF3.0 framework at NNLO accuracy, allows us to identify the optimal combination of LHC top-quark pair measurements that maximize the constraints on the gluon, as well as to assess the compatibility between ATLAS and CMS data. We find that differential distributions from top-quark pair production provide significant constraints on the large-x gluon, comparable to those obtained from inclusive jet production data, and thus should become an important ingredient for the next generation of global PDF fits.
Pinning down the large-x gluon with NNLO top-quark pair differential distributions
International Nuclear Information System (INIS)
Czakon, Michał; Hartland, Nathan P.; Mitov, Alexander; Nocera, Emanuele R.; Rojo, Juan
2017-01-01
Top-quark pair production at the LHC is directly sensitive to the gluon PDF at large x. While total cross-section data is already included in several PDF determinations, differential distributions are not, because the corresponding NNLO calculations have become available only recently. In this work we study the impact on the large-x gluon of top-quark pair differential distributions measured by ATLAS and CMS at √s=8 TeV. Our analysis, performed in the NNPDF3.0 framework at NNLO accuracy, allows us to identify the optimal combination of LHC top-quark pair measurements that maximize the constraints on the gluon, as well as to assess the compatibility between ATLAS and CMS data. We find that differential distributions from top-quark pair production provide significant constraints on the large-x gluon, comparable to those obtained from inclusive jet production data, and thus should become an important ingredient for the next generation of global PDF fits.
Measurement of the Wigner function via atomic beam deflection in the Raman-Nath regime
Energy Technology Data Exchange (ETDEWEB)
Khosa, Ashfaq H [Center for Quantum Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan); Zubairy, M Suhail [Center for Quantum Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan)
2006-12-28
A method for the reconstruction of photon statistics and even the Wigner function of a quantized cavity field state is proposed. The method is based on the measurement of momentum distribution of two-level atoms in the Raman-Nath regime. Both the cases of resonant and off-resonant atom-field interaction are considered. The Wigner function is reconstructed by displacing the photon statistics of the cavity field. This reconstruction method is straightforward and does not need much mathematical manipulation of experimental data.
Scemama, Anthony; Caffarel, Michel; Ramírez-Solís, Alejandro
2009-08-06
We study the nature of the electron pairing at the most important critical points of the singlet potential energy surface of the 2O2 O4 reaction and its evolution along the reaction coordinate using the electron pair localization function (EPLF) [Scemama, A.; Chaquin, P.; Caffarel, M. J. Chem. Phys. 2004, 121, 1725]. To do that, the 3D topology of the EPLF calculated with quantum Monte Carlo (at both variational and fixed-node-diffusion Monte Carlo levels) using Hartree-Fock, multiconfigurational CASSCF, and explicitly correlated trial wave functions is analyzed. At the O4 equilibrium geometry the EPLF analysis reveals four equivalent covalent bonds and two lone pairs on each oxygen atom. Along the reaction path toward dissociation it is found that the two oxygen-oxygen bonds are not broken simultaneously but sequentially, and then the lone pairs are rearranged. In a more general perspective, the usefulness of the EPLF as a unique tool to analyze the topology of electron pairing in nontrivial chemical bonding situations as well as to visualize the major steps involved in chemical reactivity is emphasized. In contrast with most standard schemes to reveal electron localization (atoms in molecules, electron localization function, natural bond orbital, etc.), the newly introduced EPLF function gives a direct access to electron pairings in molecules.
The structure of filled skutterudites and the local vibration behavior of the filling atom
Energy Technology Data Exchange (ETDEWEB)
Zhou, Xiaojuan [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Dongguan Institute of Neutron Science, Dongguan 523808 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zong, Peng-an [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Chen, Xihong [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Tao, Juzhou, E-mail: taoj@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Dongguan Institute of Neutron Science, Dongguan 523808 (China); Lin, He, E-mail: linhe@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Science, Shanghai 201204 (China)
2017-02-15
Both of atomic pair distribution function (PDF) and extended x-ray absorption fine structure (EXAFS) experiments have been carried out on unfilled and Yb-filled skutterudites Yb{sub x}Co{sub 4}Sb{sub 12} (x=0, 0.15, 0.2 and 0.25) samples. The structure refinements on PDF data confirm the large amplitude vibration of Yb atom and the dependence of Yb vibration amplitude on the filling content. Temperature dependent EXAFS experiment on filled skutterudites have been carried out at Yb L{sub Ⅲ}-edge in order to explore the local vibration behavior of filled atom. EXAFS experiments show that the Einstein temperature of the filled atom is very low (70.9 K) which agrees with the rattling behavior.
An efficient algorithm for generating random number pairs drawn from a bivariate normal distribution
Campbell, C. W.
1983-01-01
An efficient algorithm for generating random number pairs from a bivariate normal distribution was developed. Any desired value of the two means, two standard deviations, and correlation coefficient can be selected. Theoretically the technique is exact and in practice its accuracy is limited only by the quality of the uniform distribution random number generator, inaccuracies in computer function evaluation, and arithmetic. A FORTRAN routine was written to check the algorithm and good accuracy was obtained. Some small errors in the correlation coefficient were observed to vary in a surprisingly regular manner. A simple model was developed which explained the qualities aspects of the errors.
Pair Correlation Function Integrals
DEFF Research Database (Denmark)
Wedberg, Nils Hejle Rasmus Ingemar; O'Connell, John P.; Peters, Günther H.J.
2011-01-01
We describe a method for extending radial distribution functions obtained from molecular simulations of pure and mixed molecular fluids to arbitrary distances. The method allows total correlation function integrals to be reliably calculated from simulations of relatively small systems. The long......-distance behavior of radial distribution functions is determined by requiring that the corresponding direct correlation functions follow certain approximations at long distances. We have briefly described the method and tested its performance in previous communications [R. Wedberg, J. P. O’Connell, G. H. Peters......, and J. Abildskov, Mol. Simul. 36, 1243 (2010); Fluid Phase Equilib. 302, 32 (2011)], but describe here its theoretical basis more thoroughly and derive long-distance approximations for the direct correlation functions. We describe the numerical implementation of the method in detail, and report...
Fast metastable hydrogen atoms from H2 molecules: twin atoms
Directory of Open Access Journals (Sweden)
Trimèche A.
2015-01-01
Full Text Available It is a difficult task to obtain “twin atoms”, i.e. pairs of massive particles such that one can perform experiments in the same fashion that is routinely done with “twin photons”. One possible route to obtain such pairs is by dissociating homonuclear diatomic molecules. We address this possibility by investigating the production of metastable H(2s atoms coming from the dissociation of cold H2 molecules produced in a Campargue nozzle beam crossing an electron beam from a high intensity pulsed electron gun. Dissociation by electron impact was chosen to avoid limitations of target molecular excited states due to selection rules. Detectors placed several centimeters away from the collision center, and aligned with respect to possible common molecular dissociation channel, analyze the neutral fragments as a function of their time-of-flight (TOF through Lyman-α detection. Evidence for the first time observed coincidence of pairs of H(2s atoms obtained this way is presented.
Dopant distributions in n-MOSFET structure observed by atom probe tomography
International Nuclear Information System (INIS)
Inoue, K.; Yano, F.; Nishida, A.; Takamizawa, H.; Tsunomura, T.; Nagai, Y.; Hasegawa, M.
2009-01-01
The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.
Dopant distributions in n-MOSFET structure observed by atom probe tomography.
Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M
2009-11-01
The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.
International Nuclear Information System (INIS)
Datz, S.; Vane, C.R.; Dittner, P.F.; Krause, H.F.; Schuch, R.; Gao, H.; Hutton, R.
1994-01-01
Angular and momentum distributions have been measured for electron-positron pairs created in peripheral collisions of 6.4 TeV bare sulfur ions with thin targets of Al, Pd, and Au. Singly- and doubly-differential cross sections are presented for 1--17 MeV/c electrons and positrons detected independently and in coincidence as pairs. Various physical parameters are deduced from the coincident electron and positron data, including probability distributions for the pair transverse momentum, the pair total energy, and the positron fraction of the pair energy
International Nuclear Information System (INIS)
Levine, Benjamin G.; Stone, John E.; Kohlmeyer, Axel
2011-01-01
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in the calculation of the RDF is building a histogram of the distance between atom pairs in each trajectory frame. Here we present an implementation of this histogramming scheme for multiple graphics processing units (GPUs). The algorithm features a tiling scheme to maximize the reuse of data at the fastest levels of the GPU's memory hierarchy and dynamic load balancing to allow high performance on heterogeneous configurations of GPUs. Several versions of the RDF algorithm are presented, utilizing the specific hardware features found on different generations of GPUs. We take advantage of larger shared memory and atomic memory operations available on state-of-the-art GPUs to accelerate the code significantly. The use of atomic memory operations allows the fast, limited-capacity on-chip memory to be used much more efficiently, resulting in a fivefold increase in performance compared to the version of the algorithm without atomic operations. The ultimate version of the algorithm running in parallel on four NVIDIA GeForce GTX 480 (Fermi) GPUs was found to be 92 times faster than a multithreaded implementation running on an Intel Xeon 5550 CPU. On this multi-GPU hardware, the RDF between two selections of 1,000,000 atoms each can be calculated in 26.9 s per frame. The multi-GPU RDF algorithms described here are implemented in VMD, a widely used and freely available software package for molecular dynamics visualization and analysis.
Kinetic-energy density functional: Atoms and shell structure
International Nuclear Information System (INIS)
Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.
1996-01-01
We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. copyright 1996 The American Physical Society
International Nuclear Information System (INIS)
Li, J.; Yu, R.; Yang, X.
2008-01-01
We study the propagation of two quantized optical fields via considering the collective effects of photonic emissions and excitations of a three-level cyclic-type system (such as atomic ensemble with symmetry broken, or the chiral molecular gases, or manual 'atomic' array with symmetry broken), where the quantum transitions is driven by two quantized fields and a classical one. The results show that the parametric conversion and maximally entangled photon pair generation can be achieved by means of the collective excitation of the two upper energy levels induced by the classic optical field. This investigation may be used for the generated coherent short-wavelength quantum radiation and quantum information processing
Yao, Yuangen; Gui, Rong; Liu, Quan; Yi, Ming; Deng, Haiyou
2017-12-08
As one of the most successful knowledge-based energy functions, the distance-dependent atom-pair potential is widely used in all aspects of protein structure prediction, including conformational search, model refinement, and model assessment. During the last two decades, great efforts have been made to improve the reference state of the potential, while other factors that also strongly affect the performance of the potential have been relatively less investigated. Based on different distance cutoffs (from 5 to 22 Å) and residue intervals (from 0 to 15) as well as six different reference states, we constructed a series of distance-dependent atom-pair potentials and tested them on several groups of structural decoy sets collected from diverse sources. A comprehensive investigation has been performed to clarify the effects of distance cutoff and residue interval on the potential's performance. Our results provide a new perspective as well as a practical guidance for optimizing distance-dependent statistical potentials. The optimal distance cutoff and residue interval are highly related with the reference state that the potential is based on, the measurements of the potential's performance, and the decoy sets that the potential is applied to. The performance of distance-dependent statistical potential can be significantly improved when the best statistical parameters for the specific application environment are adopted.
Distributed Pair Programming Using Collaboration Scripts: An Educational System and Initial Results
Tsompanoudi, Despina; Satratzemi, Maya; Xinogalos, Stelios
2015-01-01
Since pair programming appeared in the literature as an effective method of teaching computer programming, many systems were developed to cover the application of pair programming over distance. Today's systems serve personal, professional and educational purposes allowing distributed teams to work together on the same programming project. The…
International Nuclear Information System (INIS)
Piil, Rune; Moelmer, Klaus
2007-01-01
By adjusting the tunneling couplings over longer than nearest-neighbor distances, it is possible in discrete lattice models to reproduce the properties of the lowest energy band of a real, continuous periodic potential. We propose to include such terms in problems with interacting particles, and we show that they have significant consequences for scattering and bound states of atom pairs in periodic potentials
Partitioned key-value store with atomic memory operations
Energy Technology Data Exchange (ETDEWEB)
Bent, John M.; Faibish, Sorin; Grider, Gary
2017-02-07
A partitioned key-value store is provided that supports atomic memory operations. A server performs a memory operation in a partitioned key-value store by receiving a request from an application for at least one atomic memory operation, the atomic memory operation comprising a memory address identifier; and, in response to the atomic memory operation, performing one or more of (i) reading a client-side memory location identified by the memory address identifier and storing one or more key-value pairs from the client-side memory location in a local key-value store of the server; and (ii) obtaining one or more key-value pairs from the local key-value store of the server and writing the obtained one or more key-value pairs into the client-side memory location identified by the memory address identifier. The server can perform functions obtained from a client-side memory location and return a result to the client using one or more of the atomic memory operations.
Density functional approach for pairing in finite size systems
International Nuclear Information System (INIS)
Hupin, G.
2011-09-01
The combination of functional theory where the energy is written as a functional of the density, and the configuration mixing method, provides an efficient description of nuclear ground and excited state properties. The specific pathologies that have been recently observed, show the lack of a clear underlying justification associated to the breaking and the restoration of symmetries within density functional theory. This thesis focuses on alternative treatments of pairing correlations in finite many body systems that consider the breaking and the restoration of the particle number conservation. The energy is written as a functional of a projected quasi-particle vacuum and can be linked to the one obtained within the configuration mixing framework. This approach has been applied to make the projection either before or after the application of the variational principle. It is more flexible than the usual configuration mixing method since it can handle more general effective interactions than the latter. The application to the Krypton isotopes shows the feasibility and the efficiency of the method to describe pairing near closed shell nuclei. Following a parallel path, a theory where the energy is written as a functional of the occupation number and natural orbitals is proposed. The new functional is benchmarked in an exactly solvable model, the pairing Hamiltonian. The efficiency and the applicability of the new theory have been tested for various pairing strengths, single particle energy spectra and numbers of particles. (author)
Electron distribution function in electron-beam-excited plasmas
International Nuclear Information System (INIS)
Brau, C.A.
1976-01-01
In monatomic plasmas excited by high-intensity relativistic electron beams, the electron secondary distribution function is dominated by elastic electron-electron collisions at low electron energies and by inelastic electron-atom collisions at high electron energies (above the excitation threshold). Under these conditions, the total rate of excitation by inelastic collisions is limited by the rate at which electron-electron collisions relax the distribution function in the neighborhood of the excitation threshold. To describe this effect quantitatively, an approximate analytic solution of the electron Boltzmann equation is obtained, including both electron-electron and inelastic collisions. The result provides a simple formula for the total rate of excitation
Bosse, J; Pathak, K N; Singh, G S
2011-10-01
The fluctuation-dissipation theorem together with the exact density response spectrum for ideal quantum gases has been utilized to yield a new expression for the static structure factor, which we use to derive exact analytical expressions for the temperature-dependent pair distribution function g(r) of the ideal gases. The plots of bosonic and fermionic g(r) display "Bose pile" and "Fermi hole" typically akin to bunching and antibunching as observed experimentally for ultracold atomic gases. The behavior of spin-scaled pair correlation for fermions is almost featureless, but bosons show a rich structure including long-range correlations near T(c). The coherent state at T=0 shows no correlation at all, just like single-mode lasers. The depicted decreasing trend in correlation with decrease in temperature for T
Unbiased estimators for spatial distribution functions of classical fluids
Adib, Artur B.; Jarzynski, Christopher
2005-01-01
We use a statistical-mechanical identity closely related to the familiar virial theorem, to derive unbiased estimators for spatial distribution functions of classical fluids. In particular, we obtain estimators for both the fluid density ρ(r) in the vicinity of a fixed solute and the pair correlation g(r) of a homogeneous classical fluid. We illustrate the utility of our estimators with numerical examples, which reveal advantages over traditional histogram-based methods of computing such distributions.
DEFF Research Database (Denmark)
Reardon, Hazel; Iversen, Bo Brummerstedt; Blichfeld, Anders Bank
-I clathrate Ba8Ga16Ge30. This suggests that local structure reorientations in the cage are likely to be the root cause of the degradation of the structure. This deepens our understanding of disordered clathrates, and provides evidence that the PDF technique is an effective method for probing local structure.......e., by measuring both the Bragg and diffuse scattering from a sample. This method has rarely been exploited by the non-oxide thermoelectrics community. , , Treating total scattering data by the Pair Distribution Function method is a logical approach to understanding defects, disorder and amorphous components...... to heating cycles, then we are closer to distinguishing how we may generate materials that do not undergo specific structure reorientation processes, and/or how we may mitigate them before they occur. Here, we will present a total scattering and PDF study that probes the local structure of the Type...
The internal conversion and e+e- - pairs creation from the heated nuclei
International Nuclear Information System (INIS)
Fedotkin, S.N.; Kolomietz, V.M.
1995-01-01
General expression for the probabilities of the atomic shell ionization and e + e - -pairs creation at the heated nuclei are found. The spectral distributions of the positrons and conversion electron are investigated in the case of the nuclear E1-transitions
Measurement-induced decoherence and Gaussian smoothing of the Wigner distribution function
International Nuclear Information System (INIS)
Chun, Yong-Jin; Lee, Hai-Woong
2003-01-01
We study the problem of measurement-induced decoherence using the phase-space approach employing the Gaussian-smoothed Wigner distribution function. Our investigation is based on the notion that measurement-induced decoherence is represented by the transition from the Wigner distribution to the Gaussian-smoothed Wigner distribution with the widths of the smoothing function identified as measurement errors. We also compare the smoothed Wigner distribution with the corresponding distribution resulting from the classical analysis. The distributions we computed are the phase-space distributions for simple one-dimensional dynamical systems such as a particle in a square-well potential and a particle moving under the influence of a step potential, and the time-frequency distributions for high-harmonic radiation emitted from an atom irradiated by short, intense laser pulses
Danel, J.-F.; Kazandjian, L.
2018-06-01
It is shown that the equation of state (EOS) and the radial distribution functions obtained by density-functional theory molecular dynamics (DFT-MD) obey a simple scaling law. At given temperature, the thermodynamic properties and the radial distribution functions given by a DFT-MD simulation remain unchanged if the mole fractions of nuclei of given charge and the average volume per atom remain unchanged. A practical interest of this scaling law is to obtain an EOS table for a fluid from that already obtained for another fluid if it has the right characteristics. Another practical interest of this result is that an asymmetric mixture made up of light and heavy atoms requiring very different time steps can be replaced by a mixture of atoms of equal mass, which facilitates the exploration of the configuration space in a DFT-MD simulation. The scaling law is illustrated by numerical results.
The force distribution probability function for simple fluids by density functional theory.
Rickayzen, G; Heyes, D M
2013-02-28
Classical density functional theory (DFT) is used to derive a formula for the probability density distribution function, P(F), and probability distribution function, W(F), for simple fluids, where F is the net force on a particle. The final formula for P(F) ∝ exp(-AF(2)), where A depends on the fluid density, the temperature, and the Fourier transform of the pair potential. The form of the DFT theory used is only applicable to bounded potential fluids. When combined with the hypernetted chain closure of the Ornstein-Zernike equation, the DFT theory for W(F) agrees with molecular dynamics computer simulations for the Gaussian and bounded soft sphere at high density. The Gaussian form for P(F) is still accurate at lower densities (but not too low density) for the two potentials, but with a smaller value for the constant, A, than that predicted by the DFT theory.
Competing bosonic condensates in optical lattice with a mixture of single and pair hoppings
Energy Technology Data Exchange (ETDEWEB)
Travin, V.M., E-mail: v.travin@int.pan.wroc.pl; Kopeć, T.K., E-mail: t.kopec@int.pan.wroc.pl
2017-01-15
A system of ultra-cold atoms with single boson and pair tunneling of bosonic atoms is considered in an optical lattice at arbitrary temperature. A mean-field theory was applied to the extended Bose-Hubbard Hamiltonian describing the system in order to investigate the competition between superfluid and pair superfluid as a function of the chemical potential and the temperature. To this end we have applied a method based on the Laplace transform method for the efficient calculation of the statistical sum for the quantum Hamiltonian. These results may be of interest for experiments on cold atom systems in optical lattices.
Röttger, Katharina; Marroux, Hugo J B; Grubb, Michael P; Coulter, Philip M; Böhnke, Hendrik; Henderson, Alexander S; Galan, M Carmen; Temps, Friedrich; Orr-Ewing, Andrew J; Roberts, Gareth M
2015-12-01
Ultrafast deactivation pathways bestow photostability on nucleobases and hence preserve the structural integrity of DNA following absorption of ultraviolet (UV) radiation. One controversial recovery mechanism proposed to account for this photostability involves electron-driven proton transfer (EDPT) in Watson-Crick base pairs. The first direct observation is reported of the EDPT process after UV excitation of individual guanine-cytosine (G⋅C) Watson-Crick base pairs by ultrafast time-resolved UV/visible and mid-infrared spectroscopy. The formation of an intermediate biradical species (G[-H]⋅C[+H]) with a lifetime of 2.9 ps was tracked. The majority of these biradicals return to the original G⋅C Watson-Crick pairs, but up to 10% of the initially excited molecules instead form a stable photoproduct G*⋅C* that has undergone double hydrogen-atom transfer. The observation of these sequential EDPT mechanisms across intermolecular hydrogen bonds confirms an important and long debated pathway for the deactivation of photoexcited base pairs, with possible implications for the UV photochemistry of DNA. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
International Nuclear Information System (INIS)
Perali, A.; Pieri, P.; Strinati, G. C.
2008-01-01
The radio-frequency spectra of ultracold Fermi atoms are calculated by including final-state interactions affecting the excited level of the transition and compared with the experimental data. A competition is revealed between pairing-gap effects which tend to push the oscillator strength toward high frequencies away from threshold and final-state effects which tend instead to pull the oscillator strength toward threshold. As a result of this competition, the position of the peak of the spectra cannot be simply related to the value of the pairing gap, whose extraction thus requires support from theoretical calculations
DEFF Research Database (Denmark)
Kaasgaard, Thomas; Mouritsen, O.G.; Jørgensen, K.
2002-01-01
A novel experimental technique, based on atomic force microscopy (AFM), is proposed to visualize the lateral organization of membrane systems in the nanometer range. The technique involves the use of a ligand-receptor pair, biotin-avidin, which introduces a height variation on a solid-supported l......A novel experimental technique, based on atomic force microscopy (AFM), is proposed to visualize the lateral organization of membrane systems in the nanometer range. The technique involves the use of a ligand-receptor pair, biotin-avidin, which introduces a height variation on a solid...
Many-body theory of charge transfer in hyperthermal atomic scattering
International Nuclear Information System (INIS)
Marston, J.B.; Andersson, D.R.; Behringer, E.R.; Cooper, B.H.; DiRubio, C.A.; Kimmel, G.A.; Richardson, C.
1993-01-01
We use the Newns-Anderson Hamiltonian to describe many-body electronic processes that occur when hyperthermal alkali atoms scatter off metallic surfaces. Following Brako and Newns, we expand the electronic many-body wave function in the number of particle-hole pairs (we keep terms up to and including a single particle-hole pair). We extend their earlier work by including level crossings, excited neutrals, and negative ions. The full set of equations of motion is integrated numerically, without further approximations, to obtain the many-body amplitudes as a function of time. The velocity and work-function dependence of final-state quantities such as the distribution of ion charges and excited atomic occupancies are compared with experiment. In particular, experiments that scatter alkali ions off clean Cu(001) surfaces in the energy range 5--1600 eV constrain the theory quantitatively. The neutralization probability of Na + ions shows a minimum at intermediate velocity in agreement with the theory. This behavior contrasts with that of K + , which shows virtually no neutralization, and with Li + , which exhibits a monotonically increasing neutral fraction with decreasing velocity. Particle-hole excitations are left behind in the metal during a fraction of the collision events; this dissipated energy is predicted to be quite small (on the order of tenths of an electron volt). Indeed, classical trajectory simulations of the surface dynamics account well for the observed energy loss, and thus provide some justification for our truncation of the equations of motion at the single particle-hole pair level. Li + scattering experiments off low work-function surfaces provide qualitative information on the importance of many-body effects. At sufficiently low work function, the negative ions predicted to occur are in fact observed
Spatial distributions of Cu polycrystal sputtered atoms
International Nuclear Information System (INIS)
Abgaryan, V.K.; Semenov, A.A.; Shkarban, I.I.
2004-01-01
The results of the experimental determination of the Cu atoms spatial distribution, sputtered from the polycrystalline copper target, irradiated by the Xe + ions with the energy of 300 eV, are presented. The spatial distributions of the sputtered particles, calculated through the quasistable-dynamic model of the cascade modeling (CAMO) are presented also for the case of the polycrystalline copper irradiation by the Ar + and Xe + ions with the energy of 300-1000 eV [ru
Quantum Phases of Atom-Molecule Mixtures of Fermionic Atoms
Lopez, Nicolas; Tsai, Shan-Wen
2009-11-01
Cold atom experiments have observed atom-molecule mixtures by tuning the interactions between particles.footnotetextM.L. Olsen, J. D. Perreault, T. D. Cumby, and D. S. Jin, Phys. Rev. A 80, 030701(R) (2009) We study many particle interactions by examaning a simple model that describes the destruction of fermionic atom pairs to form single bosonic molecules and vice versa. A set of functional Renomalization Group equationsfootnotetextR. Shankar, Rev. Mod. Phys., Vol 66 No. 1, January 1994^,footnotetextS.W. Tsai, A.H. Castro Neto, R. Shankar, D.K. Campbell, Phys. Rev. B 72, 054531 (2005) describing these processes are set up and solved numerically. The Self Energy of the fermions are attained as a function of frequency and we search for frequency dependent instabilities that could denote a transition from a disordered liquid to a BCS phase. (Financial support from NSF DMR-084781 and UC-Lab Fees Research Program.)
International Nuclear Information System (INIS)
Abel, W.
1985-02-01
This report describes an interactive program to evaluate neutron diffraction data using the Graphic System (GS) under MVS (TSO). Different evaluation steps may be directed by a CLIST. The present program is limited to cylindrical sample geometry. From the fully corrected static structure factor the pair correlation function g(r) and the radial density function may be calculated from which the mean coordination number can be obtained by numerical integration over the main peak. Producing a hardcopy output on a mechanical plotter is provided. (orig.) [de
Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections
Energy Technology Data Exchange (ETDEWEB)
Chai, Jeng-Da; Head-Gordon, Martin
2008-06-14
We report re-optimization of a recently proposed long-range corrected (LC) hybrid density functionals [J.-D. Chai and M. Head-Gordon, J. Chem. Phys. 128, 084106 (2008)] to include empirical atom-atom dispersion corrections. The resulting functional, {omega}B97X-D yields satisfactory accuracy for thermochemistry, kinetics, and non-covalent interactions. Tests show that for non-covalent systems, {omega}B97X-D shows slight improvement over other empirical dispersion-corrected density functionals, while for covalent systems and kinetics, it performs noticeably better. Relative to our previous functionals, such as {omega}B97X, the new functional is significantly superior for non-bonded interactions, and very similar in performance for bonded interactions.
Dielectric constant of atomic fluids with variable polarizability
Alder, B. J.; Beers, J. C.; Strauss, H. L.; Weis, J. J.
1980-01-01
The Clausius-Mossotti function for the dielectric constant is expanded in terms of single atom and pair polarizabilities, leading to contributions that depend on both the trace and the anisotropy of the pair-polarizability tensor. The short-range contribution of the anisotropic part to the pair polarizabilities has previously been obtained empirically from light scattering experiments, whereas the trace contribution is now empirically determined by comparison to dielectric experiments. For he...
Mn doped InSb studied at the atomic scale by cross-sectional scanning tunneling microscopy
International Nuclear Information System (INIS)
Mauger, S. J. C.; Bocquel, J.; Koenraad, P. M.; Feeser, C. E.; Parashar, N. D.; Wessels, B. W.
2015-01-01
We present an atomically resolved study of metal-organic vapor epitaxy grown Mn doped InSb. Both topographic and spectroscopic measurements have been performed by cross-sectional scanning tunneling microscopy (STM). The measurements on the Mn doped InSb samples show a perfect crystal structure without any precipitates and reveal that Mn acts as a shallow acceptor. The Mn concentration of the order of ∼10 20 cm −3 obtained from the cross-sectional STM data compare well with the intended doping concentration. While the pair correlation function of the Mn atoms showed that their local distribution is uncorrelated beyond the STM resolution for observing individual dopants, disorder in the Mn ion location giving rise to percolation pathways is clearly noted. The amount of clustering that we see is thus as expected for a fully randomly disordered distribution of the Mn atoms and no enhanced clustering or second phase material was observed
Directed Atom-by-Atom Assembly of Dopants in Silicon.
Hudak, Bethany M; Song, Jiaming; Sims, Hunter; Troparevsky, M Claudia; Humble, Travis S; Pantelides, Sokrates T; Snijders, Paul C; Lupini, Andrew R
2018-05-17
The ability to controllably position single atoms inside materials is key for the ultimate fabrication of devices with functionalities governed by atomic-scale properties. Single bismuth dopant atoms in silicon provide an ideal case study in view of proposals for single-dopant quantum bits. However, bismuth is the least soluble pnictogen in silicon, meaning that the dopant atoms tend to migrate out of position during sample growth. Here, we demonstrate epitaxial growth of thin silicon films doped with bismuth. We use atomic-resolution aberration-corrected imaging to view the as-grown dopant distribution and then to controllably position single dopants inside the film. Atomic-scale quantum-mechanical calculations corroborate the experimental findings. These results indicate that the scanning transmission electron microscope is of particular interest for assembling functional materials atom-by-atom because it offers both real-time monitoring and atom manipulation. We envision electron-beam manipulation of atoms inside materials as an achievable route to controllable assembly of structures of individual dopants.
International Nuclear Information System (INIS)
Drukarev, E.G.
1995-01-01
This paper presents an analysis of the energy distribution of the outgoing electrons in the double ionization of helium by photons with energies much larger than the ionization potential. The analysis improves on the one carried out by Amusia et al. [J. Phys. B 8, 1248 (1975)] in the framework of the special model for the wave function of helium. Now the energy distribution is expressed through certain expectation values averaged over the initial state described by the wave function of the general form Ψ(r 1 ,r 2 ). A larger interval of values of photon energies is considered. The limit equations for the angular distribution are obtained. The general features of the process with heavier atoms are also analyzed
Instantons in lepton pair production
International Nuclear Information System (INIS)
Brandenburg, A.; Ringwald, A.; Utermann, A.
2006-05-01
We consider QCD instanton-induced contributions to lepton pair production in hadron-hadron collisions. We relate these contributions to those known from deep inelastic scattering and demonstrate that they can be calculated reliably for sufficiently large momentum transfer. We observe that the instanton contribution to the angular distribution of the lepton pairs at finite momentum transfer strongly violates the Lam-Tung relation - a relation between coefficient functions of the angular distribution which is valid within the framework of ordinary perturbation theory. The drastic violation of this relation, as seen in experimental data, might be related to such instanton-induced effects. (Orig.)
The Potts model and flows. 1. The pair correlation function
International Nuclear Information System (INIS)
Essam, J.W.; Tsallis, C.
1985-01-01
It is shown that the partition function for the lambda-state Potts model with pair-interactions is related to the expected number of integer mod-lambda flows in a percolation model. The relation is generalised to the pair correlation function. The resulting high temperature expansion coefficients are shown to be the flow polynomials of graph theory. An observation of Tsallis and Levy concerning the equivalent transmissivity of a cluster is also proved. (Author) [pt
Zhang, Changzhe; Bu, Yuxiang
2016-09-14
Diffuse functions have been proved to be especially crucial for the accurate characterization of excess electrons which are usually bound weakly in intermolecular zones far away from the nuclei. To examine the effects of diffuse functions on the nature of the cavity-shaped excess electrons in water cluster surroundings, both the HOMO and LUMO distributions, vertical detachment energies (VDEs) and visible absorption spectra of two selected (H2O)24(-) isomers are investigated in the present work. Two main types of diffuse functions are considered in calculations including the Pople-style atom-centered diffuse functions and the ghost-atom-based floating diffuse functions. It is found that augmentation of atom-centered diffuse functions contributes to a better description of the HOMO (corresponding to the VDE convergence), in agreement with previous studies, but also leads to unreasonable diffuse characters of the LUMO with significant red-shifts in the visible spectra, which is against the conventional point of view that the more the diffuse functions, the better the results. The issue of designing extra floating functions for excess electrons has also been systematically discussed, which indicates that the floating diffuse functions are necessary not only for reducing the computational cost but also for improving both the HOMO and LUMO accuracy. Thus, the basis sets with a combination of partial atom-centered diffuse functions and floating diffuse functions are recommended for a reliable description of the weakly bound electrons. This work presents an efficient way for characterizing the electronic properties of weakly bound electrons accurately by balancing the addition of atom-centered diffuse functions and floating diffuse functions and also by balancing the computational cost and accuracy of the calculated results, and thus is very useful in the relevant calculations of various solvated electron systems and weakly bound anionic systems.
The relativistic atomic many-body problem
International Nuclear Information System (INIS)
Brown, G.E.
1987-01-01
Problems connected with the infinite negative energy sea of electrons in the atomic many-body problem are discussed. It is shown that as long as one works in mean-field approximations, wave functions do not need to suffer from continuum dissociation. Various effects from virtual pairs in the wave functions are discussed. (orig.)
Atomic structure and formation of CuZrAl bulk metallic glasses and composites
International Nuclear Information System (INIS)
Kaban, I.; Jóvári, P.; Escher, B.; Tran, D.T.; Svensson, G.; Webb, M.A.; Regier, T.Z.; Kokotin, V.; Beuneu, B.; Gemming, T.; Eckert, J.
2015-01-01
Graphical abstract: Partial radial distribution functions for Cu 47.5 Zr 47.5 Al 5 metallic glass and relevant crystal structures. - Abstract: Cu 47.5 Zr 47.5 Al 5 metallic glass is studied experimentally by high-energy X-ray diffraction, neutron diffraction with isotopic substitution, electron diffraction and X-ray absorption spectroscopy. The atomic structure of the glass is modeled by reverse Monte-Carlo and molecular dynamics simulations. RMC modeling of seven experimental datasets enabled reliable separation of all partial pair distribution functions for Cu 47.5 Zr 47.5 Al 5 metallic glass. A peculiar structural feature of the ternary alloy is formation of the strong Al–Zr bonds, which are supposed to determine its high viscosity and enhanced bulk glass formation. Analysis of the local atomic order in Cu 47.5 Zr 47.5 Al 5 glass and Cu 10 Zr 7 , CuZr 2 and CuZr B2 crystalline structures elucidates their similarities and differences explaining the phase formation sequence by devitrification of the glass.
Lattice dynamics of impurity clusters : application to pairs
International Nuclear Information System (INIS)
Chandralekha Devi, N.; Behera, S.N.
1979-01-01
A general solution is obtained for the lattice dynamics of a cluster of n-impurity atoms using the double-time Green's function formalism. The cluster is characterized by n-mass defect and m-force constant change parameters. It is shown that this general solution for the Green's function for the n-impurity cluster can also be expressed in terms of the Green's function for the (n-1)-impurity cluster. As an application, the cluster impurity modes for a pair are calculated using the Debye model for the host lattice dynamics. The splitting of the high frequency local modes and nearly zero frequency resonant modes due to pairs show an oscillatory behaviour on varying the distance of separation between the two impurity atoms. These oscillations are most prominent for two similar impurities and get damped for two dissimilar impurities or if one of the impurities produces a force constant change. The predictions of the calculation provide qualitative explanation of the data obtained from the infrared measurements of the resonant modes in mixed crystal system of KBrsub(1-c)Clsub(c):Lisup(+) and KBrsub(1-c)Isub(c):Lisup(+). (author)
Multiple electromagnetic electron-positron pair production in relativistic heavy-ion collisions
International Nuclear Information System (INIS)
Alscher, A.; Hencken, K.; Trautmann, D.; Baur, G.
1997-01-01
We calculate the cross sections for the production of one and more electron-positron pairs due to the strong electromagnetic fields in relativistic heavy-ion collisions. We derive the N-pair amplitude using the generating functional of fermions in an external field and the path-integral formalism. The N-pair production probability is found to be an approximate Poisson distribution. We calculate total cross sections for the production of one pair in lowest order, including corrections from the Poisson distribution up to third order. Furthermore, we calculate cross sections for the production of up to five pairs including corrections from the Poisson distribution. copyright 1997 The American Physical Society
Angular distribution of large qsub(T) muon pairs in different reference frames
International Nuclear Information System (INIS)
Lindfors, J.
1979-01-01
The angular distribution of large transverse momentum muon pairs produced in hadron-hadron collisions is calculated in lowest order of perturbative QCD. It is shown that for the process quark-antiquark → gluon + μ + μ - the polar and azimuthal angle distributions can be made independent of the parton distributions by choosing a special reference frame, the Collins-Soper frame, but for the process quark + gluon → quark + μ + μ - this is not possible. (author)
Entangled photons from single atoms and molecules
Nordén, Bengt
2018-05-01
The first two-photon entanglement experiment performed 50 years ago by Kocher and Commins (KC) provided isolated pairs of entangled photons from an atomic three-state fluorescence cascade. In view of questioning of Bell's theorem, data from these experiments are re-analyzed and shown sufficiently precise to confirm quantum mechanical and dismiss semi-classical theory without need for Bell's inequalities. Polarization photon correlation anisotropy (A) is useful: A is near unity as predicted quantum mechanically and well above the semi-classic range, 0 ⩽ A ⩽ 1 / 2 . Although yet to be found, one may envisage a three-state molecule emitting entangled photon pairs, in analogy with the KC atomic system. Antibunching in fluorescence from single molecules in matrix and entangled photons from quantum dots promise it be possible. Molecules can have advantages to parametric down-conversion as the latter photon distribution is Poissonian and unsuitable for producing isolated pairs of entangled photons. Analytical molecular applications of entangled light are also envisaged.
Effects of Acids, Bases, and Heteroatoms on Proximal Radial Distribution Functions for Proteins.
Nguyen, Bao Linh; Pettitt, B Montgomery
2015-04-14
The proximal distribution of water around proteins is a convenient method of quantifying solvation. We consider the effect of charged and sulfur-containing amino acid side-chain atoms on the proximal radial distribution function (pRDF) of water molecules around proteins using side-chain analogs. The pRDF represents the relative probability of finding any solvent molecule at a distance from the closest or surface perpendicular protein atom. We consider the near-neighbor distribution. Previously, pRDFs were shown to be universal descriptors of the water molecules around C, N, and O atom types across hundreds of globular proteins. Using averaged pRDFs, a solvent density around any globular protein can be reconstructed with controllable relative error. Solvent reconstruction using the additional information from charged amino acid side-chain atom types from both small models and protein averages reveals the effects of surface charge distribution on solvent density and improves the reconstruction errors relative to simulation. Solvent density reconstructions from the small-molecule models are as effective and less computationally demanding than reconstructions from full macromolecular models in reproducing preferred hydration sites and solvent density fluctuations.
Creating high-purity angular-momentum-state Rydberg atoms by a pair of unipolar laser pulses
Xin, PeiPei; Cheng, Hong; Zhang, ShanShan; Wang, HanMu; Xu, ZiShan; Liu, HongPing
2018-04-01
We propose a method of producing high-purity angular-momentum-state Rydberg atoms by a pair of unipolar laser pulses. The first positive-polarity optical half-cycle pulse is used to prepare an excited-state wave packet while the second one is less intense, but with opposite polarity and time delayed, and is employed to drag back the escaping free electron and clip the shape of the bound Rydberg wave packet, selectively increasing or decreasing a fraction of the angular-momentum components. An intelligent choice of laser parameters such as phase and amplitude helps us to control the orbital-angular-momentum composition of an electron wave packet with more facility; thus, a specified angular-momentum state with high purity can be achieved. This scheme of producing high-purity angular-momentum-state Rydberg atoms has significant application in quantum-information processing.
International Nuclear Information System (INIS)
Kaliambos, L.A.
2008-01-01
Fundamental interactions of spinning electrons at an interelectron separation less than 578.8 fm yield attractive electromagnetic forces with S = 0 creating vibrations under a motional emf. They explain the indistinguishability of electrons and give a vibration energy able for calculating the ground-state energies of many-electron atoms without using any perturbative approximation. Such forces create two-electron orbitals able to account for the exclusion principal and the mechanism of covalent bonds. In the outer subshells of atoms the penetrating orbitals interact also as pair-pair systems and deform drastically the probability densities of the quantum mechanical electron clouds. Such a dynamics of deformation removes the degeneracy and leads to the deviation from the shell scheme. However in the interior of atoms the large nuclear charge leads to a spherically symmetric potential with non-interacting pairs for creating shells of degenerate states giving an accurate explanation of the X-ray lines. On the other hand, considerable charge distributions in nucleons as multiples of 2e/3 and - e/3 determined by the magnetic moments, interact for creating the nuclear structure with p-n bonds. Such spin-spin interactions show that the dominant concept of the untisymmetric wave function for fermions is inapplicable not only in the simple p-n, p-p, and n-n systems but also in the LS coupling of atoms in which the electrons interact from different quantum states giving either S = 0 or S = l. (author)
Pair- ${v}$ -SVR: A Novel and Efficient Pairing nu-Support Vector Regression Algorithm.
Hao, Pei-Yi
This paper proposes a novel and efficient pairing nu-support vector regression (pair--SVR) algorithm that combines successfully the superior advantages of twin support vector regression (TSVR) and classical -SVR algorithms. In spirit of TSVR, the proposed pair--SVR solves two quadratic programming problems (QPPs) of smaller size rather than a single larger QPP, and thus has faster learning speed than classical -SVR. The significant advantage of our pair--SVR over TSVR is the improvement in the prediction speed and generalization ability by introducing the concepts of the insensitive zone and the regularization term that embodies the essence of statistical learning theory. Moreover, pair--SVR has additional advantage of using parameter for controlling the bounds on fractions of SVs and errors. Furthermore, the upper bound and lower bound functions of the regression model estimated by pair--SVR capture well the characteristics of data distributions, thus facilitating automatic estimation of the conditional mean and predictive variance simultaneously. This may be useful in many cases, especially when the noise is heteroscedastic and depends strongly on the input values. The experimental results validate the superiority of our pair--SVR in both training/prediction speed and generalization ability.This paper proposes a novel and efficient pairing nu-support vector regression (pair--SVR) algorithm that combines successfully the superior advantages of twin support vector regression (TSVR) and classical -SVR algorithms. In spirit of TSVR, the proposed pair--SVR solves two quadratic programming problems (QPPs) of smaller size rather than a single larger QPP, and thus has faster learning speed than classical -SVR. The significant advantage of our pair--SVR over TSVR is the improvement in the prediction speed and generalization ability by introducing the concepts of the insensitive zone and the regularization term that embodies the essence of statistical learning theory
PDF constraints from top-quark pair differential measurements
García Navarro, José Enrique; The ATLAS collaboration
2018-01-01
Constraints on parton distribution functions are presented that are based on differential cross-section measurements of single lepton and dilepton kinematic distributions in dileptonic top quark pair events. The measurements utilize 20.2 fb-1 of sqrt(s) = 8 TeV pp collisions recorded by the ATLAS experiment at the LHC. The sensitivity of the cross-sections to the gluon parton distribution function is explored.
Angular distribution and rotations of frame in vector meson decays into lepton pairs
International Nuclear Information System (INIS)
Palestini, Sandro
2011-01-01
We discuss how the angular distribution of lepton pairs from decays of vector mesons depends on the choice of reference frame, and provide a geometrical description of the transformations of the coefficients of the angular distribution. Invariant expressions involving all coefficients are discussed, together with bounds and consistency relations.
Optical perturbation of atoms in weak localization
Yedjour, A.
2018-01-01
We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.
Pair potentials in liquid metals
International Nuclear Information System (INIS)
Faber, T.E.
1980-01-01
The argument which justifies the use of a pair potential to describe the structure-dependent term in the energy of liquid metals is briefly reviewed. Because there is an additional term in the energy which depends upon volume rather than structure, and because the pair potential itself is volume-dependent, the relationship between pair potential and observable properties such as pressure, bulk modulus and pair distribution function is more complicated for liquid metals than it is for molecular liquids. Perhaps for this reason, the agreement between pair potentials inferred from observable properties and pair potentials calculated by means of pseudo-potential theory is still far from complete. The pair potential concept is applicable only to simple liquid metals, in which the electron-ion interaction is weak. No attempt is made to discuss liquid transition and rare-earth metals, which are not simple in this sense. (author)
International Nuclear Information System (INIS)
Lerma H, S.
2010-01-01
The structure of the exact wave function of the isovectorial pairing Hamiltonian with nondegenerate single-particle levels is discussed. The way that the single-particle splittings break the quartet condensate solution found for N=Z nuclei in a single degenerate level is established. After a brief review of the exact solution, the structure of the wave function is analyzed and some particular cases are considered where a clear interpretation of the wave function emerges. An expression for the exact wave function in terms of the isospin triplet of pair creators is given. The ground-state wave function is analyzed as a function of pairing strength, for a system of four protons and four neutrons. For small and large values of the pairing strength a dominance of two-pair (quartets) scalar couplings is found, whereas for intermediate values enhancements of the nonscalar couplings are obtained. A correlation of these enhancements with the creation of Cooper-like pairs is observed.
Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.
2003-01-01
Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.
The time-energy distribution of atoms in a radiation damage cascade
International Nuclear Information System (INIS)
Williams, M.M.R.
1976-01-01
The time-energy distribution of atoms in a cascade induced by a primary knock-on is obtained by solving the Boltzmann equation. A more general scattering law is used than has hitherto been possible which is based upon a rational approximation to the Thomas-Fermi model of atomic scattering. The virtue of this scheme is that it remains possible to obtain an exact, closed form solution but allows a more realistic description of the scattering process. Time moments of the distribution are obtained from which the slowing down time and associated variance can be calculated. It is shown that the complete time-energy distribution may be reconstructed from the moments. (author)
BCS-BEC crossover at finite temperature for superfluid trapped Fermi atoms
International Nuclear Information System (INIS)
Perali, A.; Pieri, P.; Pisani, L.; Strinati, G.C.
2004-01-01
We consider the BCS-BEC (Bose-Einstein-condensate) crossover for a system of trapped Fermi atoms at finite temperature, both below and above the superfluid critical temperature, by including fluctuations beyond mean field. We determine the superfluid critical temperature and the pair-breaking temperature as functions of the attractive interaction between Fermi atoms, from the weak- to the strong-coupling limit (where bosonic molecules form as bound-fermion pairs). Density profiles in the trap are also obtained for all temperatures and couplings
Sterpone, Fabio; Nguyen, Phuong H; Kalimeri, Maria; Derreumaux, Philippe
2013-10-08
We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radial distribution function of the distance between the center of mass of the side-chains. The new potentials have been tested on several systems that differ in structural properties, thermodynamic stabilities and number of ion-pairs. Our modeling, by refining the packing of the charged amino-acids, impacts the stability of secondary structure motifs and the population of intermediate states during temperature folding/unfolding; it also improves the aggregation propensity of peptides. The new version of the OPEP force field has the potentiality to describe more realistically a large spectrum of situations where salt-bridges are key interactions.
Bandyopadhyay, Malay; Gupta, Shamik; Segal, Dvira
2011-03-01
We investigate DNA breathing dynamics by suggesting and examining several Brownian functionals associated with bubble lifetime and reactivity. Bubble dynamics is described as an overdamped random walk in the number of broken base pairs. The walk takes place on the Poland-Scheraga free-energy landscape. We suggest several probability distribution functions that characterize the breathing process, and adopt the recently studied backward Fokker-Planck method and the path decomposition method as elegant and flexible tools for deriving these distributions. In particular, for a bubble of an initial size x₀, we derive analytical expressions for (i) the distribution P(t{f}|x₀) of the first-passage time t{f}, characterizing the bubble lifetime, (ii) the distribution P(A|x₀) of the area A until the first-passage time, providing information about the effective reactivity of the bubble to processes within the DNA, (iii) the distribution P(M) of the maximum bubble size M attained before the first-passage time, and (iv) the joint probability distribution P(M,t{m}) of the maximum bubble size M and the time t{m} of its occurrence before the first-passage time. These distributions are analyzed in the limit of small and large bubble sizes. We supplement our analytical predictions with direct numericalsimulations of the related Langevin equation, and obtain a very good agreement in the appropriate limits. The nontrivial scaling behavior of the various quantities analyzed here can, in principle, be explored experimentally.
The angular distributions of sputtered indium atoms at different temperature
International Nuclear Information System (INIS)
Zhang Jiping; Wang Zhenxia; Tao Zhenlan; Pan Jisheng
1993-01-01
The effect of temperature and surface topography on the angular distribution of indium atoms was studied under bombardment by 2T KeV Ar + ions at normal incidence. Experiments were carried out on two samples, A and B, at 25 o C and 70 o C respectively. The function Y(θ) = a cosθ + b cos n θ, where θ is the sputtering angle, was found to fit the experimental data. The term (a cos θ) corresponds to the cosine distribution predicted by random collision cascade theory, and the term (b cos n θ) is dependent on factors such as the surface topography. For sample A, a∼b, whereas for sample B a< b. The surface of A consisted of flat and pebble like regions of almost equal area while the surface of B was more cratered. An explanation of the fitting values of a,b and n is given in terms of the shielding effects of the different structures. (UK)
International Nuclear Information System (INIS)
Fries, P.
1978-01-01
In order to study the intermolecular relaxation due to magnetic dipolar interactions, we calculate the spectral densities resulting from random translational and rotational motions of spherical molecules carrying off-centre spins. The relative translational motion is treated in the frame-work of a general diffusion equation (the Smoluchowski equation) which takes into account the existence of effective forces between the molecules. This model implies a pair correlation function. i.e. a non unifom relative distribution of the molecules. The analytical calculations are carried out by taking correctly into account the hard sphere boundary conditions for the molecules. Explicit numerical calculations of the spectral densities are performed using finite difference methods and the pair correlation function of Verlet and Weiss obtained by computer experiments. The resulting calculations allow one to interpret the relaxation exhibited by benzene and some of its monohalogen derivatives which has been measured by Jonas et al. at various pressures. The effects of pair correlation and eccentricity contribute to a noticeable enhancement of the spectral densities, especially as the frequency increases. The translational correlation times calculated from the Stokes formula and those deduced from intermolecular relaxation studies are compared. It is shown that in order to distinguish which of the dynamical models is appropriate, measurements must be made as a function of frequency [fr
International Nuclear Information System (INIS)
Liu Xuan; Ito, Haruhiko; Torikai, Eiko
2012-01-01
We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li n , Na n , K n , Rb n , and Cs n with n = 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.
Energy Technology Data Exchange (ETDEWEB)
Liu Xuan, E-mail: liu.x.ad@m.titech.ac.jp; Ito, Haruhiko [Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology (Japan); Torikai, Eiko [Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi (Japan)
2012-08-15
We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li{sub n}, Na{sub n}, K{sub n}, Rb{sub n}, and Cs{sub n} with n = 2-8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.
Dynamical pairing correlations in rotating nuclei
International Nuclear Information System (INIS)
Szymanski, Z.
1985-01-01
When the atomic nucleus rotates fast enough the static pair correlations may be destroyed. In this situation the pair-vibrations become an important manifestation of the short-range attractive pairing force. The influence of this effect on nuclear properties at high spin is discussed. (orig.)
Observation of $\\pi^- K^+$ and $\\pi^+ K^-$ atoms
Adeva, B; The PS212 collaboration; Allkofer, Y.; Amsler, C.; Anania, A.; Aogaki, S.; Benelli, A.; Brekhovskikh, V.; Cechak, T.; Chiba, M.; Chliapnikov, P.; Doskarova, P.; Drijard, D.; Dudarev, A.; Dumitriu, D.; Fluerasu, D.; Gorin, A.; Gorchakov, O.; Gritsay, K.; Guaraldo, C.; Gugiu, M.; Hansroul, M.; Hons, Z.; Horikawa, S.; Iwashita, Y.; Karpukhin, V.; Kluson, J.; Kobayashi, M.; Kruglov, V.; Kruglova, L.; Kulikov, A.; Kulish, E.; Kuptsov, A.; Lamberto, A.; Lanaro, A.; Lednicky, R.; Marinas, C.; Martincik, J.; Nikitin, M.; Okada, K.; Olchevskii, V.; Pentia, M.; Penzo, A.; Plo, M.; Prusa, P.; Rappazzo, G.; Vidal, A.Romero; Ryazantsev, A.; Rykalin, V.; Saborido, J.; Sidorov, A.; Smolik, J.; Takeutchi, F.; Tauscher, L.; Trojek, T.; Trusov, S.; Urban, T.; Vrba, T.; Yazkov, V.; Yoshimura, Y.; Zhabitsky, M.; Zrelov, P.
2016-01-01
The observation of hydrogen-like $\\pi K$ atoms, consisting of $\\pi^- K^+$ or $\\pi^+ K^-$ mesons, is presented. The atoms have been produced by 24 GeV/$c$ protons from the CERN PS accelerator, interacting with platinum or nickel foil targets. The breakup (ionisation) of $\\pi K$ atoms in the same targets yields characteristic $\\pi K$ pairs, called ``atomic pairs'', with small relative momenta in the pair centre-of-mass system. The upgraded DIRAC experiment has observed $349\\pm62$ such atomic $\\pi K$ pairs, corresponding to a signal of 5.6 standard deviations.
Wigner’s phase-space function and atomic structure: II. Ground states for closed-shell atoms
DEFF Research Database (Denmark)
Springborg, Michael; Dahl, Jens Peder
1987-01-01
We present formulas for reduced Wigner phase-space functions for atoms, with an emphasis on the first-order spinless Wigner function. This function can be written as the sum of separate contributions from single orbitals (the natural orbitals). This allows a detailed study of the function. Here we...... display and analyze the function for the closed-shell atoms helium, beryllium, neon, argon, and zinc in the Hartree-Fock approximation. The quantum-mechanical exact results are compared with those obtained with the approximate Thomas-Fermi description of electron densities in phase space....
Sodium Atoms in the Lunar Exotail: Observed Velocity and Spatial Distributions
Line, Michael R.; Mierkiewicz, E. J.; Oliversen, R. J.; Wilson, J. K.; Haffner, L. M.; Roesler, F. L.
2011-01-01
The lunar sodium tail extends long distances due to radiation pressure on sodium atoms in the lunar exosphere. Our earlier observations determined the average radial velocity of sodium atoms moving down the lunar tail beyond Earth along the Sun-Moon-Earth line (i.e., the anti-lunar point) to be 12.4 km/s. Here we use the Wisconsin H-alpha Mapper to obtain the first kinematically resolved maps of the intensity and velocity distribution of this emission over a 15 x times 15 deg region on the sky near the anti-lunar point. We present both spatially and spectrally resolved observations obtained over four nights around new moon in October 2007. The spatial distribution of the sodium atoms is elongated along the ecliptic with the location of the peak intensity drifting 3 degrees east along the ecliptic per night. Preliminary modeling results suggest that the spatial and velocity distributions in the sodium exotail are sensitive to the near surface lunar sodium velocity distribution and that observations of this sort along with detailed modeling offer new opportunities to describe the time history of lunar surface sputtering over several days.
Alcolea Palafox, M; Rastogi, V K; Singh, S P
2018-04-01
The effect of the sulphur atom on 2-thiouracil (2TU) and 2-thiouridine molecules, as compared with uracil and uridine molecules, respectively, was carried out in several environments. The predicted IR spectrum of 2TU in the isolated state was compared with that obtained for uracil molecule and with those reported experimentally in matrix isolation. Its crystal unit cell in the solid state was simulated through a tetramer form using DFT methods for the first time. The calculated Raman spectrum was compared to the experimental ones in the solid state. A linear scaling procedure was used for this task. The first hydration shell was simulated by explicit number of water molecules surrounding 2TU up to 30 and was compared with that obtained in uracil molecule. Water molecules 'distributed' around 2TU was preferred over that 'clustering', because it can better reproduce the hydration and their effects on different parameters of the molecular structure of 2TU and uracil. The total atomic charges and several calculated thermodynamic parameters were discussed. The effect of the sulphur atom on the Watson-Crick (WC) and reverse WC base pair uridine-adenosine was estimated, and the CP corrected interaction energies were calculated. 2-thiouridine has a weaker WC pair than that with uridine, although its slight higher dipole moment (μ) facilitates the interaction with the water molecules. Several helical parameters were determined.
A pair density functional theory utilizing the correlated wave function
International Nuclear Information System (INIS)
Higuchi, M; Higuchi, K
2009-01-01
We propose a practical scheme for calculating the ground-state pair density (PD) by utilizing the correlated wave function. As the correlated wave function, we adopt a linear combination of the single Slater determinants that are constructed from the solutions of the initial scheme [Higuchi M and Higuchi K 2007 Physica B 387, 117]. The single-particle equation is derived by performing the variational principle within the set of PDs that are constructed from such correlated wave functions. Since the search region of the PD is substantially extended as compared with the initial scheme, it is expected that the present scheme can cover more correlation effects. The single-particle equation is practical, and may be easily applied to actual calculations.
International Nuclear Information System (INIS)
Gao Xianlong
2008-01-01
Using the Bethe-ansatz density-functional theory, we study a one-dimensional Hubbard model of confined attractively interacting fermions in the presence of a uniformly distributed disorder. The strongly correlated Luther-Emery nature of the attractive one-dimensional Hubbard model is fully taken into account as the reference system in the density-functional theory. The effects of the disorder are investigated on the atomic density waves in the weak-to-intermediate attractive interaction and on the spin-singlet dimers of doubly occupied sites in the strongly attractive regime. It is found that atomic density waves are sensitive to the disorder and the spin-singlet dimers of doubly occupied sites are quite unstable against the disorder. We also show that a very weak disorder could smear the singularities in the stiffness, thus, suppresses the spin-singlet pairs
Experimental investigation of quantum key distribution with position and momentum of photon pairs
International Nuclear Information System (INIS)
Almeida, M.P.; Walborn, S.P.; Souto Ribeiro, P.H.
2005-01-01
We investigate the utility of Einstein-Podolsky-Rosen correlations of the position and momentum of photon pairs from parametric down-conversion in the implementation of a secure quantum key distribution protocol. We show that security is guaranteed by the entanglement between down-converted pairs, and can be checked by either direct comparison of Alice and Bob's measurement results or evaluation of an inequality of the sort proposed by Mancini et al. [Phys. Rev. Lett. 88, 120401 (2002)
Influence of laser power on atom probe tomographic analysis of boron distribution in silicon
Energy Technology Data Exchange (ETDEWEB)
Tu, Y., E-mail: ytu@imr.tohoku.ac.jp [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Takamizawa, H.; Han, B.; Shimizu, Y.; Inoue, K.; Toyama, T. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Yano, F. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Tokyo City University, Setagaya, Tokyo 158-8557 (Japan); Nishida, A. [Renesas Electronics Corporation, Hitachinaka, Ibaraki 312-8504 (Japan); Nagai, Y. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan)
2017-02-15
The relationship between the laser power and the three-dimensional distribution of boron (B) in silicon (Si) measured by laser-assisted atom probe tomography (APT) is investigated. The ultraviolet laser employed in this study has a fixed wavelength of 355 nm. The measured distributions are almost uniform and homogeneous when using low laser power, while clear B accumulation at the low-index pole of single-crystalline Si and segregation along the grain boundaries in polycrystalline Si are observed when using high laser power (100 pJ). These effects are thought to be caused by the surface migration of atoms, which is promoted by high laser power. Therefore, for ensuring a high-fidelity APT measurement of the B distribution in Si, high laser power is not recommended. - Highlights: • Influence of laser power on atom probe tomographic analysis of B distribution in Si is investigated. • When using high laser power, inhomogeneous distributions of B in single-crystalline and polycrystalline Si are observed. • Laser promoted migration of B atoms over the specimen is proposed to explain these effects.
International Nuclear Information System (INIS)
Dimakis, Nicholas; Valdez, Danielle; Flor, Fernando Antonio; Salgado, Andres; Adjibi, Kolade; Vargas, Sarah; Saenz, Justin
2017-01-01
Highlights: • Li, K, Na, and Ca graphene interaction is primarily ionic, whereas small covalent interactions also co-exist in these cases. • Van der Waals interactions are revealed by comparing adatom-graphene geometries between 1.4% and 3% adatom coverages and using Grimme corrections. • The Li, K, Na graphene interactions are accurately described by both PBE0 and PBE functionals. For Ca/graphene, the PBE0 functional should not be used. • For Li, K, and Na adsorbed on graphene, adatom-graphene interaction weakens as the adatom coverages increases. • The Ca-graphene interaction strength, which is stronger at high coverages, is opposite to increases in the Ca–4s orbital population. - Abstract: The adsorption of the alkali Li, K, and Na and the alkaline Ca on graphene is studied using periodic density functional theory (DFT) under various adatom coverages. The charge transfers between the adatom and the graphene sheet and the almost unchanged densities-of-states spectra in the energy region near and below the Fermi level support an ionic bond pattern between the adatom and the graphene atoms. However, the presence of small orbital overlap between the metal and the nearest graphene atom is indicative of small covalent bonding. Van der Waals interactions are examined through a semiempirical correction in the DFT functional and by comparing adatom-graphene calculations between 3% and 1.4% adatom coverages. Optimized adatom-graphene geometries identify the preferred adatom sites, whereas the adatom-graphene strength is correlated with the adsorption energy and the adatom distance from the graphene plane. Calculated electronic properties and structural parameters are obtained using hybrid functionals and a generalized gradient approximation functional paired with basis sets of various sizes. We found that due to long range electrostatic forces between the alkali/alkaline adatoms and the graphene monolayer, the adatom-graphene structural and electronic
Energy Technology Data Exchange (ETDEWEB)
Dimakis, Nicholas, E-mail: nicholas.dimakis@utrgv.edu [Department of Physics, University of Texas Rio Grande Valley, Edinburg, TX (United States); Valdez, Danielle; Flor, Fernando Antonio; Salgado, Andres; Adjibi, Kolade [Department of Physics, University of Texas Rio Grande Valley, Edinburg, TX (United States); Vargas, Sarah; Saenz, Justin [Robert Vela High School, Edinburg, TX (United States)
2017-08-15
Highlights: • Li, K, Na, and Ca graphene interaction is primarily ionic, whereas small covalent interactions also co-exist in these cases. • Van der Waals interactions are revealed by comparing adatom-graphene geometries between 1.4% and 3% adatom coverages and using Grimme corrections. • The Li, K, Na graphene interactions are accurately described by both PBE0 and PBE functionals. For Ca/graphene, the PBE0 functional should not be used. • For Li, K, and Na adsorbed on graphene, adatom-graphene interaction weakens as the adatom coverages increases. • The Ca-graphene interaction strength, which is stronger at high coverages, is opposite to increases in the Ca–4s orbital population. - Abstract: The adsorption of the alkali Li, K, and Na and the alkaline Ca on graphene is studied using periodic density functional theory (DFT) under various adatom coverages. The charge transfers between the adatom and the graphene sheet and the almost unchanged densities-of-states spectra in the energy region near and below the Fermi level support an ionic bond pattern between the adatom and the graphene atoms. However, the presence of small orbital overlap between the metal and the nearest graphene atom is indicative of small covalent bonding. Van der Waals interactions are examined through a semiempirical correction in the DFT functional and by comparing adatom-graphene calculations between 3% and 1.4% adatom coverages. Optimized adatom-graphene geometries identify the preferred adatom sites, whereas the adatom-graphene strength is correlated with the adsorption energy and the adatom distance from the graphene plane. Calculated electronic properties and structural parameters are obtained using hybrid functionals and a generalized gradient approximation functional paired with basis sets of various sizes. We found that due to long range electrostatic forces between the alkali/alkaline adatoms and the graphene monolayer, the adatom-graphene structural and electronic
Interplay of vacuum-mediated inter- and intra-atomic couplings in a pair of atoms
International Nuclear Information System (INIS)
Schmid, Sandra Isabelle; Evers, Joerg
2010-01-01
The resonance fluorescence emitted by a system of two dipole-dipole interacting nearby four-level atoms in a J=1/2↔J=1/2 configuration is studied. This setup is the simplest realistic model system which provides a complete description of the (inter-atomic) dipole-dipole interaction for arbitrary orientation of the inter-atomic distance vector, and at the same time allows for intra-atomic spontaneously generated coherences. Our main interest is the interplay of both these different coupling mechanisms. We discuss different methods to analyze the contribution of the various vacuum-induced coupling constants to the total resonance fluorescence spectrum. These allow us to find a dressed state interpretation of the contribution of the different inter-atomic dipole-dipole couplings to the total spectrum. We further study the role of the spontaneously generated coherences, and identify two different contributions to the single-particle vacuum-induced couplings. We show that they have a noticeable impact on the total resonance fluorescence spectrum down to small inter-atomic distances, even though the dipole-dipole coupling constants then are much larger in magnitude than the the single-particle coupling constants. Interestingly, we find that the inter-atomic couplings can induce an effect of the intra-atomic spontaneously generated coherences on the observed spectra which is not present in single-atom systems.
Angular distribution of atoms ejected by laser ablation of different metals
International Nuclear Information System (INIS)
Konomi, I.; Motohiro, T.; Asaoka, T.
2009-01-01
Angular distributions of 13 different metals ejected by laser ablation using fourth harmonics (wavelength=266 nm) of neodymium doped yttrium aluminum garnet laser and a fluence close to near-threshold value (2.3 J/cm 2 ) have been investigated with a high angular resolution. The angular distribution which is characterized by the exponent n of cos n θ distribution showed very broad range of values between 3 and 24 for different metals. A simple relation that the exponent n is proportional to the square root of particle atomic weight as reported previously has not been observed. Instead, a general trend has been found that the metals with higher sublimation energy such as Ta and Zr show narrower angular distribution than those with lower sublimation energy such as Sn and In. While the sublimation energy of metals has a great influence on the angular distribution of ejected atoms, a simple consideration suggests that their thermal conductivity and specific heat have little effect on it.
International Nuclear Information System (INIS)
Meinhold, Lars; Clement, David; Tehei, M.; Daniel, R.M.; Finney, J.L.; Smith, Jeremy C.
2008-01-01
The temperature dependence of the dynamics of mesophilic and thermophilic dihydrofolate reductase is examined using elastic incoherent neutron scattering. It is demonstrated that the distribution of atomic displacement amplitudes can be derived from the elastic scattering data by assuming a (Weibull) functional form that resembles distributions seen in molecular dynamics simulations. The thermophilic enzyme has a significantly broader distribution than its mesophilic counterpart. Furthermore, although the rate of increase with temperature of the atomic mean-square displacements extracted from the dynamic structure factor is found to be comparable for both enzymes, the amplitudes are found to be slightly larger for the thermophilic enzyme. Therefore, these results imply that the thermophilic enzyme is the more flexible of the two
Kim, Se-Ho; Kang, Phil Woong; Park, O Ok; Seol, Jae-Bok; Ahn, Jae-Pyoung; Lee, Ji Yeong; Choi, Pyuck-Pa
2018-07-01
We present a new method of preparing needle-shaped specimens for atom probe tomography from freestanding Pd and C-supported Pt nanoparticles. The method consists of two steps, namely electrophoresis of nanoparticles on a flat Cu substrate followed by electrodeposition of a Ni film acting as an embedding matrix for the nanoparticles. Atom probe specimen preparation can be subsequently carried out by means of focused-ion-beam milling. Using this approach, we have been able to perform correlative atom probe tomography and transmission electron microscopy analyses on both nanoparticle systems. Reliable mass spectra and three-dimensional atom maps could be obtained for Pd nanoparticle specimens. In contrast, atom probe samples prepared from C-supported Pt nanoparticles showed uneven field evaporation and hence artifacts in the reconstructed atom maps. Our developed method is a viable means of mapping the three-dimensional atomic distribution within nanoparticles and is expected to contribute to an improved understanding of the structure-composition-property relationships of various nanoparticle systems. Copyright © 2018 Elsevier B.V. All rights reserved.
Dielectric constant of atomic fluids with variable polarizability.
Alder, B J; Beers, J C; Strauss, H L; Weis, J J
1980-06-01
The Clausius-Mossotti function for the dielectric constant is expanded in terms of single atom and pair polarizabilities, leading to contributions that depend on both the trace and the anisotropy of the pair-polarizability tensor. The short-range contribution of the anisotropic part to the pair polarizabilities has previously been obtained empirically from light scattering experiments, whereas the trace contribution is now empirically determined by comparison to dielectric experiments. For helium, the short-range trace part agrees well with electronic structure calculations, whereas for argon qualitative agreement is achieved.
Measurement of light-atom distributions in solids
International Nuclear Information System (INIS)
Blewer, R.S.
1977-01-01
We have developed a sensitive technique that is capable of nondestructively measuring the abundance and depth-distribution of isotopes of hydrogen or helium imbedded in a solid. The measurement is a form of ion-backscattering spectrometry which uses protons to probe within approximately 10μm of the surface of a solid. By analyzing the energy of the backscattered protons we can determine the number of atoms of a given mass present at various depths in the target material. This method permits detection of the lightest elements (i.e., those most difficult to detect by conventional ion-backscattering spectrometry) without sacrificing the capability of revealing the abundance and depth-distribution of heavier elements. For example, we have measured the initial distribution of helium implanted in a metal, then in subsequent measurements kept track of the helium migration
Using galaxy pairs to investigate the three-point correlation function in the squeezed limit
Yuan, Sihan; Eisenstein, Daniel J.; Garrison, Lehman H.
2017-11-01
We investigate the three-point correlation function (3PCF) in the squeezed limit by considering galaxy pairs as discrete objects and cross-correlating them with the galaxy field. We develop an efficient algorithm using fast Fourier transforms to compute such cross-correlations and their associated pair-galaxy bias bp, g and the squeezed 3PCF coefficient Qeff. We implement our method using N-body cosmological simulations and a fiducial halo occupation distribution (HOD) and present the results in both the real space and redshift space. In real space, we observe a peak in bp, g and Qeff at pair separation of ∼2 Mpc, attributed to the fact that galaxy pairs at 2 Mpc separation trace the most massive dark matter haloes. We also see strong anisotropy in the bp, g and Qeff signals that track the large-scale filamentary structure. In redshift space, both the 2 Mpc peak and the anisotropy are significantly smeared out along the line of sight due to finger-of-God effect. In both the real space and redshift space, the squeezed 3PCF shows a factor of 2 variation, contradicting the hierarchical ansatz, but offering rich information on the galaxy-halo connection. Thus, we explore the possibility of using the squeezed 3PCF to constrain the HOD. When we compare two simple HOD models that are closely matched in their projected two-point correlation function (2PCF), we do not yet see a strong variation in the 3PCF that is clearly disentangled from variations in the projected 2PCF. Nevertheless, we propose that more complicated HOD models, e.g. those incorporating assembly bias, can break degeneracies in the 2PCF and show a distinguishable squeezed 3PCF signal.
Sagan, Bruce E.; Savage, Carla D.
2012-01-01
We introduce the notion of a Mahonian pair. Consider the set, P^*, of all words having the positive integers as alphabet. Given finite subsets S,T of P^*, we say that (S,T) is a Mahonian pair if the distribution of the major index, maj, over S is the same as the distribution of the inversion number, inv, over T. So the well-known fact that maj and inv are equidistributed over the symmetric group, S_n, can be expressed by saying that (S_n,S_n) is a Mahonian pair. We investigate various Mahonia...
Scaling properties of the pairing problem in the strong coupling limit
International Nuclear Information System (INIS)
Barbaro, M.B.; Cenni, R.; Molinari, A.; Quaglia, M.R.
2013-01-01
We study the excited states of the pairing Hamiltonian providing an expansion for their energy in the strong coupling limit. To assess the role of the pairing interaction we apply the formalism to the case of a heavy atomic nucleus. We show that only a few statistical moments of the level distribution are sufficient to yield an accurate estimate of the energy for not too small values of the coupling G and we give the analytic expressions of the first four terms of the series. Further, we discuss the convergence radius G sing of the expansion showing that it strongly depends upon the details of the level distribution. Furthermore G sing is not related to the critical values of the coupling G crit , which characterize the physics of the pairing Hamiltonian, since it can exist even in the absence of these critical points. -- Highlights: •We study the excitation spectrum of the pairing Hamiltonian. •We provide an analytic expansion around the strong coupling limit. •We discuss the convergence radius of the expansion. •We connect the radius with the critical points of H
Nucleon-pair approximation to the nuclear shell model
Energy Technology Data Exchange (ETDEWEB)
Zhao, Y.M., E-mail: ymzhao@sjtu.edu.cn [Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Arima, A. [Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Musashi Gakuen, 1-26-1 Toyotamakami Nerima-ku, Tokyo 176-8533 (Japan)
2014-12-01
Atomic nuclei are complex systems of nucleons–protons and neutrons. Nucleons interact with each other via an attractive and short-range force. This feature of the interaction leads to a pattern of dominantly monopole and quadrupole correlations between like particles (i.e., proton–proton and neutron–neutron correlations) in low-lying states of atomic nuclei. As a consequence, among dozens or even hundreds of possible types of nucleon pairs, very few nucleon pairs such as proton and neutron pairs with spin zero, two (in some cases spin four), and occasionally isoscalar spin-aligned proton–neutron pairs, play important roles in low-energy nuclear structure. The nucleon-pair approximation therefore provides us with an efficient truncation scheme of the full shell model configurations which are otherwise too large to handle for medium and heavy nuclei in foreseeable future. Furthermore, the nucleon-pair approximation leads to simple pictures in physics, as the dimension of nucleon-pair subspace is always small. The present paper aims at a sound review of its history, formulation, validity, applications, as well as its link to previous approaches, with the focus on the new developments in the last two decades. The applicability of the nucleon-pair approximation and numerical calculations of low-lying states for realistic atomic nuclei are demonstrated with examples. Applications of pair approximations to other problems are also discussed.
Wu, Liyin; Wang, Zhen-guo; Li, Qinglian; Zhang, Jiaqi
2015-09-01
Phase Doppler anemometry was applied to investigate the atomization processes of a kerosene jet injected into Ma = 1.86 crossflow. Physical behaviors, such as breakup and coalescence, are reproduced through the analysis of the spatial distribution of kerosene droplets' size. It is concluded that Sauter mean diameter distribution shape transforms into "I" type from "C" type as the atomization development. Simultaneously, the breakup of large droplets and the coalescence of small droplets can be observed throughout the whole atomization process.
GRASP92: a package for large-scale relativistic atomic structure calculations
Parpia, F. A.; Froese Fischer, C.; Grant, I. P.
2006-12-01
Program summaryTitle of program: GRASP92 Catalogue identifier: ADCU_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADCU_v1_1 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: no Programming language used: Fortran Computer: IBM POWERstation 320H Operating system: IBM AIX 3.2.5+ RAM: 64M words No. of lines in distributed program, including test data, etc.: 65 224 No of bytes in distributed program, including test data, etc.: 409 198 Distribution format: tar.gz Catalogue identifier of previous version: ADCU_v1_0 Journal reference of previous version: Comput. Phys. Comm. 94 (1996) 249 Does the new version supersede the previous version?: Yes Nature of problem: Prediction of atomic spectra—atomic energy levels, oscillator strengths, and radiative decay rates—using a 'fully relativistic' approach. Solution method: Atomic orbitals are assumed to be four-component spinor eigenstates of the angular momentum operator, j=l+s, and the parity operator Π=βπ. Configuration state functions (CSFs) are linear combinations of Slater determinants of atomic orbitals, and are simultaneous eigenfunctions of the atomic electronic angular momentum operator, J, and the atomic parity operator, P. Lists of CSFs are either explicitly prescribed by the user or generated from a set of reference CSFs, a set of subshells, and rules for deriving other CSFs from these. Approximate atomic state functions (ASFs) are linear combinations of CSFs. A variational functional may be constructed by combining expressions for the energies of one or more ASFs. Average level (AL) functionals are weighted sums of energies of all possible ASFs that may be constructed from a set of CSFs; the number of ASFs is then the same as the number, n, of CSFs. Optimal level (OL) functionals are weighted sums of energies of some subset of ASFs; the GRASP92 package is optimized for this latter class of functionals. The composition of an ASF in terms
Spatially distributed multipartite entanglement enables EPR steering of atomic clouds
Kunkel, Philipp; Prüfer, Maximilian; Strobel, Helmut; Linnemann, Daniel; Frölian, Anika; Gasenzer, Thomas; Gärttner, Martin; Oberthaler, Markus K.
2018-04-01
A key resource for distributed quantum-enhanced protocols is entanglement between spatially separated modes. However, the robust generation and detection of entanglement between spatially separated regions of an ultracold atomic system remain a challenge. We used spin mixing in a tightly confined Bose-Einstein condensate to generate an entangled state of indistinguishable particles in a single spatial mode. We show experimentally that this entanglement can be spatially distributed by self-similar expansion of the atomic cloud. We used spatially resolved spin read-out to reveal a particularly strong form of quantum correlations known as Einstein-Podolsky-Rosen (EPR) steering between distinct parts of the expanded cloud. Based on the strength of EPR steering, we constructed a witness, which confirmed genuine 5-partite entanglement.
International Nuclear Information System (INIS)
Sekowski, M.; Burenkov, A.; Martinez-Limia, A.; Hernandez-Mangas, J.; Ryssel, H.
2008-01-01
Angular distributions of ion sputtered germanium and silicon atoms are investigated within this work. Experiments are performed for the case of grazing ion incidence angles, where the resulting angular distributions are asymmetrical with respect to the polar angle of the sputtered atoms. The performed experiments are compared to Monte-Carlo simulations from different programs. We show here an improved model for the angular distribution, which has an additional dependence of the ion incidence angle.
The pair correlation function of spatial Hawkes processes
DEFF Research Database (Denmark)
Møller, Jesper; Torrisi, Giovanni Luca
2007-01-01
Spatial Hawkes processes can be considered as spatial versions of classical Hawkes processes. We derive the pair correlation function of stationary spatial Hawkes processes and discuss the connection to the Bartlett spectrum and other summary statistics. Particularly, results for Gaussian fertility...... rates and the extension to spatial Hawkes processes with random fertility rates are discussed....
Computer simulation of liquid cesium using embedded atom model
International Nuclear Information System (INIS)
Belashchenko, D K; Nikitin, N Yu
2008-01-01
The new method is presented for the inventing an embedded atom potential (EAM potential) for liquid metals. This method uses directly the pair correlation function (PCF) of the liquid metal near the melting temperature. Because of the specific analytic form of this EAM potential, the pair term of potential can be calculated using the pair correlation function and, for example, Schommers algorithm. Other parameters of EAM potential may be found using the potential energy, module of compression and pressure at some conditions, mainly near the melting temperature, at very high temperature or in strongly compressed state. We used the simple exponential formula for effective EAM electronic density and a polynomial series for embedding energy. Molecular dynamics method was applied with L. Verlet algorithm. A series of models with 1968 atoms in the basic cube was constructed in temperature interval 323-1923 K. The thermodynamic properties of liquid cesium, structure data and self-diffusion coefficients are calculated. In general, agreement between the model data and known experimental ones is reasonable. The evaluation is given for the critical temperature of cesium models with EAM potential
Energy Technology Data Exchange (ETDEWEB)
Bristeau, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires
1969-07-01
Experiments have been carried out on the total ionization by alpha particles, in pure gases and gaseous mixtures containing metastable atoms, as a function of temperature. Using a different experimental method, the results for the mean ionization energy at 300 K given by Jesse in 1953 have been confirmed to within 1 per cent. It is established that in pure gases the mean energy W required to form a pair of ions remains constant as the temperature varies from 77 to 300 K. It is shown that there is a temperature effect for W in binary gas mixtures of the type A-B containing meta-stable atoms A{sup *} and an 'impurity' B. A systematic study is made of the change {delta}W in W as a function of the temperature and of the B 'impurity' concentration in the mixtures Ne - Ar, Ne - Kr, Ne - H{sub 2}, Ne - N{sub 2}, Ne - CH{sub 4} and He - Ar. Experiments have been carried out on a ternary gas mixture of the type A - B - C, where C is a second ionizable 'impurity' added to the binary mixture A - B; they show the existence of excited atoms B{sup *} formed from the 'impurity' B. Finally, it is shown that the amount of metastable atoms formed in a pure gas must be very close to the number N{sub 0} of ion pairs, and that there must exist a correlation between the number N{sub 0} of ion pairs and the number {approx_equal} N{sub 0} of metastable atoms created in the pure rare gases. (author) [French] On realise des experiences sur l'ionisation totale par les particules alpha, dans les gaz purs et les melanges gazeux contenant des atomes metastables, en fonction de la temperature. Avec une methode experimentale differente, on retrouve a mieux que 1 pour cent pres les valeurs de l'energie moyenne d'ionisation que JESSE a obtenues en 1953 et a 300 K. On etablit que dans les gaz purs, l'energie moyenne W pour creer une paire d'ions demeure constante, quand la temperature varie entre 77 et 300 K. On met en evidence un effet de temperature sur W, dans les melanges gazeux binaires du type
Neese, Frank; Wennmohs, Frank; Hansen, Andreas
2009-03-21
Coupled-electron pair approximations (CEPAs) and coupled-pair functionals (CPFs) have been popular in the 1970s and 1980s and have yielded excellent results for small molecules. Recently, interest in CEPA and CPF methods has been renewed. It has been shown that these methods lead to competitive thermochemical, kinetic, and structural predictions. They greatly surpass second order Moller-Plesset and popular density functional theory based approaches in accuracy and are intermediate in quality between CCSD and CCSD(T) in extended benchmark studies. In this work an efficient production level implementation of the closed shell CEPA and CPF methods is reported that can be applied to medium sized molecules in the range of 50-100 atoms and up to about 2000 basis functions. The internal space is spanned by localized internal orbitals. The external space is greatly compressed through the method of pair natural orbitals (PNOs) that was also introduced by the pioneers of the CEPA approaches. Our implementation also makes extended use of density fitting (or resolution of the identity) techniques in order to speed up the laborious integral transformations. The method is called local pair natural orbital CEPA (LPNO-CEPA) (LPNO-CPF). The implementation is centered around the concepts of electron pairs and matrix operations. Altogether three cutoff parameters are introduced that control the size of the significant pair list, the average number of PNOs per electron pair, and the number of contributing basis functions per PNO. With the conservatively chosen default values of these thresholds, the method recovers about 99.8% of the canonical correlation energy. This translates to absolute deviations from the canonical result of only a few kcal mol(-1). Extended numerical test calculations demonstrate that LPNO-CEPA (LPNO-CPF) has essentially the same accuracy as parent CEPA (CPF) methods for thermochemistry, kinetics, weak interactions, and potential energy surfaces but is up to 500
International Nuclear Information System (INIS)
Kobayashi, Takanori; Yuki, Kenta; Matsuoka, Leo
2016-01-01
Using multireference configuration interaction (MRCI) calculations with single and double excitation levels, Davidson correction, and a spin-orbit (SO) effective core potential, we have developed a series of four low-lying electronic potential energy curves (PECs) for the pairs formed between a cesium atom (Cs) and a rare gas (Rg = He, Ne, Ar, Kr, and Xe). The results obtained at the MRCI level were compared with those generated at the SOCI level, which were recently reported by Blank et al. The shapes of the PECs were essentially the same when the same basis set was used. Based on this agreement, more precise PECs for Cs-Rg pairs were calculated using a larger basis set for Rg. (author)
Dependence of two-neutron momentum densities on total pair momentum
Energy Technology Data Exchange (ETDEWEB)
Carlson, Joseph A [Los Alamos National Laboratory; Wiringa, R B [ANL; Schiavilla, R [JEFFERSON LAB; Pieper, Steven C [ANL
2008-01-01
Two-nucleon momentum distributions are calculated for the ground states of {sup 3}He and {sup 4}He as a function of the nucleons' relative and total momenta. We use variational Monte Carlo wave functions derived from a realistic Hamiltonian with two- and three-nucleon potentials. The momentum distribution of pp pairs is found to be much smaller than that of pn pairs for values of the relative momentum in the range (300--500) MeV/c and vanishing total momentum. Howeer, as the totalmomentum increases to 400 MeV/c, the ratio of pp to pn pairs in this relative momentum range grows and approaches the limit 1/2 for {sup 3}He and 1/4 for {sup 4}He, corresponding to the ratio of pp to pn pairs in these nuclei. This behavior should be easily observable in two-nucleon knock-out processes, such as A(e, e'pN).
Energy Technology Data Exchange (ETDEWEB)
Wu, Liyin; Wang, Zhen-guo, E-mail: wangzhenguo-wzg@163.com; Li, Qinglian; Zhang, Jiaqi [Science and Technology on Scramjet Laboratory, National University of Defense Technology, Changsha 410073 (China); College of Aerospace and Engineering, National University of Defense Technology, Changsha 410073 (China)
2015-09-07
Phase Doppler anemometry was applied to investigate the atomization processes of a kerosene jet injected into Ma = 1.86 crossflow. Physical behaviors, such as breakup and coalescence, are reproduced through the analysis of the spatial distribution of kerosene droplets' size. It is concluded that Sauter mean diameter distribution shape transforms into “I” type from “C” type as the atomization development. Simultaneously, the breakup of large droplets and the coalescence of small droplets can be observed throughout the whole atomization process.
International Nuclear Information System (INIS)
Wu, Liyin; Wang, Zhen-guo; Li, Qinglian; Zhang, Jiaqi
2015-01-01
Phase Doppler anemometry was applied to investigate the atomization processes of a kerosene jet injected into Ma = 1.86 crossflow. Physical behaviors, such as breakup and coalescence, are reproduced through the analysis of the spatial distribution of kerosene droplets' size. It is concluded that Sauter mean diameter distribution shape transforms into “I” type from “C” type as the atomization development. Simultaneously, the breakup of large droplets and the coalescence of small droplets can be observed throughout the whole atomization process
Komninos, Yannis; Mercouris, Theodoros; Nicolaides, Cleanthes A.
2014-01-01
In continuation of our earlier works, we present results concerning the computation of matrix elements of the multipolar Hamiltonian (MPH) between extended wave functions that are obtained numerically. The choice of the MPH is discussed in connection with the broader issue of the form of radiation-atom (or -molecule) interaction that is appropriate for the systematic solution of various problems of matter-radiation interaction. We derive analytic formulas, in terms of the sine-integral function and spherical Bessel functions of various orders, for the cumulative radial integrals that were obtained and calculated by Komninos, Mercouris, and Nicolaides [Phys. Rev. A 71, 023410 (2005), 10.1103/PhysRevA.71.023410]. This development allows the much faster and more accurate computation of such matrix elements, a fact that enhances the efficiency with which the time-dependent Schrödinger equation is solved nonperturbatively, in the framework of the state-specific expansion approach. The formulas are applicable to the general case where a pair of orbitals with angular parts |ℓ1,m1> and |ℓ2,m2> are coupled radiatively. As a test case, we calculate the matrix elements of the electric field and of the paramagnetic operators for on- and off-resonance transitions, between hydrogenic circular states of high angular momentum, whose quantum numbers are chosen so as to satisfy electric dipole and electric quadrupole selection rules. Because of the nature of their wave function (they are nodeless and the large centrifugal barrier keeps their overwhelming part at large distances from the nucleus), the validity of the electric dipole approximation in various applications where the off-resonance couplings must be considered becomes precarious. For example, for the transition from the circular state with n = 20 to that with n = 21, for which ≈400 a.u., the dipole approximation starts to fail already at XUV wavelengths (λ <125nm).
International Nuclear Information System (INIS)
Schlickeiser, R.; Krakau, S.; Supsar, M.
2013-01-01
The interaction of TeV gamma-rays from distant blazars with the extragalactic background light produces relativistic electron-positron pair beams by the photon-photon annihilation process. Using the linear instability analysis in the kinetic limit, which properly accounts for the longitudinal and the small but finite perpendicular momentum spread in the pair momentum distribution function, the growth rate of parallel propagating electrostatic oscillations in the intergalactic medium is calculated. Contrary to the claims of Miniati and Elyiv, we find that neither the longitudinal nor the perpendicular spread in the relativistic pair distribution function significantly affect the electrostatic growth rates. The maximum kinetic growth rate for no perpendicular spread is even about an order of magnitude greater than the corresponding reactive maximum growth rate. The reduction factors in the maximum growth rate due to the finite perpendicular spread in the pair distribution function are tiny and always less than 10 –4 . We confirm earlier conclusions by Broderick et al. and our group that the created pair beam distribution function is quickly unstable in the unmagnetized intergalactic medium. Therefore, there is no need to require the existence of small intergalactic magnetic fields to scatter the produced pairs, so that the explanation (made by several authors) for the Fermi non-detection of the inverse Compton scattered GeV gamma-rays by a finite deflecting intergalactic magnetic field is not necessary. In particular, the various derived lower bounds for the intergalactic magnetic fields are invalid due to the pair beam instability argument
International Nuclear Information System (INIS)
Wilson, R.G.
1980-01-01
Depth distributions of As atoms measured by SIMS, and of associated carriers measured by differential C-V, both give a measured most probable channeling range Rsub(c) of 3.35 to 3.40 μm for 300 keV As ions implanted in the of Si, aligned within approximately 0.05 deg (proper or axial channeling). The As ion fluences used were 3.0 x 10 13 and 1.0 x 10 14 , and 1.5 x 10 12 cm -2 , for the SIMS and C-V, respectively, and the lowest atom and carrier densities measured in the profiles were 1 x 10 15 and 1 x 10 14 cm -3 , respectively. The maximum or saturated As density measured at Rsub(c) was approximately 1.5 x 10 16 cm -3 . The depth distribution for 0.50 deg misalignment from the differed only slightly, probably within the experimental measurement reproducibility, and the Rsub(c) was still approximately 3.4 μm. Atom and carrier depth distributions are also shown for misalignment angles of 1.0 and 2.0 deg from the of Si and are significantly degraded. Comparison of the SIMS profiles shows that channeling has saturated by the time an ion fluence of 3 x 10 13 cm -2 is reached. No significant redistribution of channeled As atoms occurs upon annealing at 800 0 C for 30 min. (author)
International Nuclear Information System (INIS)
Hurkmans, A.; Overbosch, E.G.; Olander, D.R.; Los, J.
1976-01-01
The trapping probability of potassium atoms on a polycrystalline tungsten surface has been measured as a function of the angle of incidence and as a function of the energy of the incoming atoms. Below an energy of 1 eV the trapping was complete; above 20 eV only reflection occurred. The trapping probability increased with increasing angle of incidence. The measurements are compared with a simple model of the fraction of atoms initially trapped. The model, a one-dimensional cube model including a Boltzmann distribution of the velocities of oscillating surface atoms, partially explains the data. The trapping probability as a function of incoming energy is well described for normal incidence, justifying the inclusion of thermal motion of the surface atoms in the model. The angular dependence can be explained in a qualitative way, although there is a substantial discrepancy for large angles of incidence, showing the presence of surface structure. (Auth.)
Malý, Milan; Janáčková, Lada; Jedelský, Jan; Jícha, Miroslav
The spray symmetry is an important aspect in most practical applications. However, it is often an overlooked parameter. A measurement of circumferential distribution was carried out by a circular-sectored vessel on several pressure-swirl atomizers with spill-line over a wide range of injection pressure. The obtained results show that the spray uniformity improves markedly with the injection pressure. The increase in a number of tangential entry ports has only a minor effect on the spray uniformity. Even a small mechanical corruption of the atomizer internal parts negatively affects the spray patternation.
Motion of Rydberg atoms with strong permanent-electric-dipole interactions
International Nuclear Information System (INIS)
Gonçalves, Luís Felipe; Thaicharoen, Nithiwadee; Raithel, Georg
2016-01-01
Using classical trajectories simulations, we investigate the dynamics of a cold sample of Rydberg atoms with high permanent electric dipole moments. The dipolar state can be created using an adiabatic passage through an avoided crossing between an S-like state and a linear Stark state. The simulations yield the pair-correlation functions (PCF) of the atom samples, which allow us to extract the motion of Rydberg-atom pairs in the many-body system. The results reveal the strength and the anisotropic character of the underlying interaction. The simulation is employed to test the suitability of experimental methods designed to derive interaction parameters from PCF. Insight is obtained about the stability of the method against variation of experimentally relevant parameters. Transient correlations due to interaction-induced heating are observed. (paper)
Angular distribution of sputtered atoms from Al-Sn alloy and surface topography
International Nuclear Information System (INIS)
Wang Zhenxia; Pan Jisheng; Zhang Jiping; Tao Zhenlan
1992-01-01
If an alloy is sputtered the angular distribution of the sputtered atoms can be different for each component. At high ion energies in the range of linear cascade theory, different energy distributions for components of different mass in the solid are predicted. Upon leaving the surface, i.e. overcoming the surface binding energy, these differences should show up in different angular distributions. Differences in the angular distribution are of much practical interest, for example, in thin-film deposition by sputtering and surface analysis by secondary-ion mass spectroscopy and Auger electron spectroscopy. Recently our experimental work has shown that for Fe-W alloy the surface microtopography becomes dominant and determines the shape of the angular distribution of the component. However, with the few experimental results available so far it is too early to draw any general conclusions for the angular distribution of the sputtered constituents. Thus, the aim of this work was to study further the influence of the surface topography on the shape of the angular distribution of sputtered atoms from an Al-Sn alloy. (Author)
Upgraded DIRAC spectrometer at CERN PS for the investigation of ππ and πK atoms
Energy Technology Data Exchange (ETDEWEB)
Adeva, B. [Santiago de Compostela University (Spain); Afanasyev, L. [JINR, Dubna (Russian Federation); Allkofer, Y. [Zurich University (Switzerland); Amsler, C. [Albert Einstein Centre for Fundamental Physics, Laboratory of High Energy Physics, Bern (Switzerland); Anania, A. [INFN, Sezione di Trieste and Messina University, Messina (Italy); Aogaki, S. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Benelli, A. [Czech Technical University in Prague (Czech Republic); Brekhovskikh, V. [IHEP, Protvino (Russian Federation); Caragheorgheopol, Gh. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Cechak, T. [Czech Technical University in Prague (Czech Republic); Chiba, M. [Tokyo Metropolitan University (Japan); Chliapnikov, P. [IHEP, Protvino (Russian Federation); Ciocarlan, C.; Constantinescu, S. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Detraz, C. [CERN, Geneva (Switzerland); Doskarova, P. [Czech Technical University in Prague (Czech Republic); Drijard, D. [CERN, Geneva (Switzerland); Dudarev, A. [JINR, Dubna (Russian Federation); Duma, M.; Dumitriu, D. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); and others
2016-12-11
The DIRAC spectrometer installed at CERN PS was upgraded in order to study simultaneously A{sub 2π} and A{sub πK} atoms, namely the bound states of two π mesons, and of π and K mesons, respectively. The detector system can now accept a high intensity beam of 2–6×10{sup 11} primary protons per second. The electronics and the data-acquisition system can handle a very large amount of data to identify π, K, p, e and µ, allowing the selection of ππ and πK pairs in the offline analysis. The resolution of the longitudinal and transverse components of the relative momentum Q of each meson pair in their center-of-mass system with respect to the direction of the pair was substantially improved. The analysis of their distributions allowed an reliable separation between the meson pairs originating from hadronic atoms and the backgrounds permitting the measurement of the lifetimes of hadronic atoms in the ground state and π–π, π–K s-wave scattering lengths. The upgraded setup also allowed the study of the long-lived excited states of ππ atoms.
The local atomic quasicrystal structure of the icosahedral Mg25Y11Zn64 alloy
International Nuclear Information System (INIS)
Bruehne, S; Uhrig, E; Gross, C; Assmus, W; Masadeh, A S; Billinge, S J L
2005-01-01
A local and medium range atomic structure model for the face centred icosahedral (fci) Mg 25 Y 11 Zn 64 alloy has been established in a sphere of r = 27 A. The model was refined by least squares techniques using the atomic pair distribution (PDF) function obtained from synchrotron powder diffraction. Three hierarchies of the atomic arrangement can be found: (i) five types of local coordination polyhedra for the single atoms, four of which are of Frank-Kasper type. In turn, they (ii) form a three-shell (Bergman) cluster containing 104 atoms, which is condensed sharing its outer shell with its neighbouring clusters, and (iii) a cluster connecting scheme corresponding to a three-dimensional tiling leaving space for a few glue atoms. Inside adjacent clusters, Y 8 cubes are tilted with respect to each other and thus allow for overall icosahedral symmetry. It is shown that the title compound is essentially isomorphic to its holmium analogue. Therefore, fci-Mg-Y-Zn can be seen as the representative structure type for the other rare earth analogues fci-Mg-Zn-RE (RE = Dy, Er, Ho, Tb) reported in the literature
A study of atomic distribution in the intermetallic compound by AP-FIM
International Nuclear Information System (INIS)
Ren, D.G.
1993-01-01
This paper reports a study of the atomic distributions in the intermetallic compound by field ion microscope and atom probe (AP-FIM). The samples used in this work had nearly stoichiometry composition of Ni 3 Al with boron and without boron. The samples of TiAl also had nearly stoichiometry composition and adding Zr and Mn. The field ion image of Ni 3 Al without boron displays essentially the ordered f.c.c. crystal structure (Ll 2 ) with the center of (001) face. The field ion image of B-doped Ni 3 Al shows that the extent of ordering is reduced by addition of boron. The results of AP analysis show that the distribution of boron atom in Ni 3 Al is approximately homogeneous for the low boron contents. The atomic arrangements of Ni and Al in Ni 3 Al crystal lattice were changed by addition of boron. It is shown in the probability of consecutive evaporative sequence Al-Al and Ni-Ni is increased with B-doping. The field ion image of TiAl shows two regions with ordered f.c.t crystal structure (r-TiAl) and disordered. The distributions of Ti and Al atoms in the TiAl alloy show that the structure of a lamellar mixture were confirmed by AP profiles. The results of AP analysis show that distributions of Ti, Al, Mn and Zr in the alloy essentially is homogeneous. The results of AP analysis also exhibit that the interface of an oxide exists in the alloys. These interfaces of oxides consist of TiO and AlO in the TiAl, NiO in the Ni 3 Al. The broadness of the oxides interface were estimated about 8-10nm
Time distribution of muon pairs detected at 40 m. w. e
Energy Technology Data Exchange (ETDEWEB)
Badino, G [CNR, Istituto di Cosmo-geofisica, Turin, Italy; Fulgione, W [CNR, Istituto di Cosmo-geofisica, Turin; Cagliari, Universita, Cagliari, Italy); Periale, L [CNR, Istituto di Cosmo-geofisica; Torino, Universita, Turin, Italy)
1982-08-21
Experimental results are reported on the distribution of arrival time intervals between pairs of atmospheric muons detected at 40 m.w.e. underground and generated in interactions of primary nuclei with average energy about 600 GeV. A total number of 72,220 single muons was recorded with a total frequency of 7.1 muons per second, in good agreement with previous measurements at the same depth 2 x 10 to the -6th random coincidences per second were obtained, a negligible value. The temporal analysis showed very good agreement between data and stochastic predictions. It is concluded that the overabundance of short-delayed cosmic ray particles, if real at higher energies, is not present either at the lower energies of single muons or at the intermediate energies of muon pairs detected in the experiment.
Angular distributions of atomic vapor stream produced by electron beam heating
International Nuclear Information System (INIS)
Ohba, Hironori; Amekawa, Kazuhiro; Shibata, Takemasa
1997-03-01
The angular distributions were measured as a function of deposition rate for aluminium, copper, gadolinium and cerium vapor stream produced by an electron beam gun with water-cooled copper crucible. The distributions were recorded on the mounted on a semicircular (120mm in radius) mask over the evaporation source. The measured distributions were able to be described by a simple cosine law, that is cos n θ, except for the case of extremely high evaporation rate with a porous material, where n is a rate-dependent beaming exponent, θ is the angle from the vertical. For many kinds of evaporants, it was confirmed that the beaming exponents increase continuously from unity to 3 or 4 with increasing deposition rate and are approximately proportional to R 0.25 where R is the deposition rate. Moreover, it was found that the beaming exponents n are able to be expressed as n = α Kn 0 -0.25 , where Kn 0 -1 is the inverse of Knudsen number, which is defined by the mean free path of evaporated atoms and the evaporation spot size, and α is the constant. (author)
Angular distributions of atomic vapor stream produced by electron beam heating
Energy Technology Data Exchange (ETDEWEB)
Ohba, Hironori; Amekawa, Kazuhiro; Shibata, Takemasa [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
1997-03-01
The angular distributions were measured as a function of deposition rate for aluminium, copper, gadolinium and cerium vapor stream produced by an electron beam gun with water-cooled copper crucible. The distributions were recorded on the mounted on a semicircular (120mm in radius) mask over the evaporation source. The measured distributions were able to be described by a simple cosine law, that is cos{sup n} {theta}, except for the case of extremely high evaporation rate with a porous material, where n is a rate-dependent beaming exponent, {theta} is the angle from the vertical. For many kinds of evaporants, it was confirmed that the beaming exponents increase continuously from unity to 3 or 4 with increasing deposition rate and are approximately proportional to R{sup 0.25} where R is the deposition rate. Moreover, it was found that the beaming exponents n are able to be expressed as n = {alpha} Kn{sub 0}{sup -0.25}, where Kn{sub 0}{sup -1} is the inverse of Knudsen number, which is defined by the mean free path of evaporated atoms and the evaporation spot size, and {alpha} is the constant. (author)
Demuru, M; Gouw, A A; Hillebrand, A; Stam, C J; van Dijk, B W; Scheltens, P; Tijms, B M; Konijnenberg, E; Ten Kate, M; den Braber, A; Smit, D J A; Boomsma, D I; Visser, P J
2017-08-29
Resting-state functional connectivity patterns are highly stable over time within subjects. This suggests that such 'functional fingerprints' may have strong genetic component. We investigated whether the functional (FC) or effective (EC) connectivity patterns of one monozygotic twin could be used to identify the co-twin among a larger sample and determined the overlap in functional fingerprints within monozygotic (MZ) twin pairs using resting state magnetoencephalography (MEG). We included 32 cognitively normal MZ twin pairs from the Netherlands Twin Register who participate in the EMIF-AD preclinAD study (average age 68 years). Combining EC information across multiple frequency bands we obtained an identification rate over 75%. Since MZ twin pairs are genetically identical these results suggest a high genetic contribution to MEG-based EC patterns, leading to large similarities in brain connectivity patterns between two individuals even after 60 years of life or more.
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
Ponderomotive effects in multiphoton pair production
Kohlfürst, Christian; Alkofer, Reinhard
2018-02-01
The Dirac-Heisenberg-Wigner formalism is employed to investigate electron-positron pair production in cylindrically symmetric but otherwise spatially inhomogeneous, oscillating electric fields. The oscillation frequencies are hereby tuned to obtain multiphoton pair production in the nonperturbative threshold regime. An effective mass, as well as a trajectory-based semiclassical analysis, is introduced in order to interpret the numerical results for the distribution functions as well as for the particle yields and spectra. The results, including the asymptotic particle spectra, display clear signatures of ponderomotive forces.
Marques, J M C; Pais, A A C C; Abreu, P E
2012-02-05
The efficiency of the so-called big-bang method for the optimization of atomic clusters is analysed in detail for Morse pair potentials with different ranges; here, we have used Morse potentials with four different ranges, from long- ρ = 3) to short-ranged ρ = 14) interactions. Specifically, we study the efficacy of the method in discovering low-energy structures, including the putative global minimum, as a function of the potential range and the cluster size. A new global minimum structure for long-ranged ρ = 3) Morse potential at the cluster size of n= 240 is reported. The present results are useful to assess the maximum cluster size for each type of interaction where the global minimum can be discovered with a limited number of big-bang trials. Copyright © 2011 Wiley Periodicals, Inc.
Atomic Covalent Functionalization of Graphene
Johns, James E.; Hersam, Mark C.
2012-01-01
Conspectus Although graphene’s physical structure is a single atom thick, two-dimensional, hexagonal crystal of sp2 bonded carbon, this simple description belies the myriad interesting and complex physical properties attributed to this fascinating material. Because of its unusual electronic structure and superlative properties, graphene serves as a leading candidate for many next generation technologies including high frequency electronics, broadband photodetectors, biological and gas sensors, and transparent conductive coatings. Despite this promise, researchers could apply graphene more routinely in real-world technologies if they could chemically adjust graphene’s electronic properties. For example, the covalent modification of graphene to create a band gap comparable to silicon (~1 eV) would enable its use in digital electronics, and larger band gaps would provide new opportunities for graphene-based photonics. Towards this end, researchers have focused considerable effort on the chemical functionalization of graphene. Due to its high thermodynamic stability and chemical inertness, new methods and techniques are required to create covalent bonds without promoting undesirable side reactions or irreversible damage to the underlying carbon lattice. In this Account, we review and discuss recent theoretical and experimental work studying covalent modifications to graphene using gas phase atomic radicals. Atomic radicals have sufficient energy to overcome the kinetic and thermodynamic barriers associated with covalent reactions on the basal plane of graphene but lack the energy required to break the C-C sigma bonds that would destroy the carbon lattice. Furthermore, because they are atomic species, radicals substantially reduce the likelihood of unwanted side reactions that confound other covalent chemistries. Overall, these methods based on atomic radicals show promise for the homogeneous functionalization of graphene and the production of new classes of two
International Nuclear Information System (INIS)
Pronko, P.P.
1975-01-01
Defect depth profiles for self ion and He + irradiated gold are obtained from single and multiple scatter dechanneling analysis in single crystal gold films. Quantitative defect densities are obtained through use of atomic scattering cross sections. Integral damage profiles are extracted from the dechanneling spectra and subsequently differentiated to yield the volume concentration of defects as a function of depth. Results from the self ion irradiations suggest that incident ions produce defect distributions across depths much greater than predicted by random stopping theory. This is in agreement with TEM observations of others. Comparison of the experimental profiles is made with theoretical vacancy distributions predicted by defect diffusion in a radiation environment. Similarities are observed for the low fluence irradiations suggesting that profile characteristics may be controlled by rapid migration and loss of interstitials to the film surfaces during irradiation. Information on the across-channel distribution of misaligned atoms in the damaged films is obtained with the steady increase of transverse energy model applied to the dechanneling spectra. A predominance of slight misalignment is observed with no contribution to dechanneling coming from atoms displaced significantly close to the center of the channels. This is in keeping with what is expected for crystal distortions caused by the strain fields associated with vacancy cluster defects
International Nuclear Information System (INIS)
Pronko, P.P.
1976-01-01
Defect depth profiles for self-ion and He + irradiated gold are obtained from single and multiple scatter dechanneling analysis in single-crystal gold films. Quantitative defect densities are obtained through use of atomic-scattering cross sections. Integral damage profiles are extracted from the dechanneling spectra and subsequently differentiated to yield the volume concentration of defects as a function of depth. Results from the self-ion irradiations suggest that incident ions produce defect distributions across depths much greater than predicted by random stopping theory. This is in agreement with TEM observations of others. Comparison of the experimental profiles is made with theoretical vacancy distributions predicted by defect diffusion in a radiation environment. Similarities are observed for the low-fluence irradiations, suggesting that profile characteristics may be controlled by rapid migration and loss of interstitials to the film surfaces during irradiation. Information on the across-channel distribution of misaligned atoms in the damaged films is obtained with the steady increase of transverse energy model. A predominance of slight misalignment is observed with no contribution to dechanneling coming from atoms displaced significantly close to the center of the channels. This is in keeping with what is expected for crystal distortions caused by the strain fields associated with vacancy cluster defects. (Auth.)
Energy Technology Data Exchange (ETDEWEB)
Zhu, Feng; Zhang, Chun-Hui; Liu, Ai-Ping [Institute of Signal Processing Transmission, Nanjing University of Posts and Telecommunications, Nanjing 210003 (China); Key Lab of Broadband Wireless Communication and Sensor Network Technology, Nanjing University of Posts and Telecommunications, Ministry of Education, Nanjing 210003 (China); Wang, Qin, E-mail: qinw@njupt.edu.cn [Institute of Signal Processing Transmission, Nanjing University of Posts and Telecommunications, Nanjing 210003 (China); Key Lab of Broadband Wireless Communication and Sensor Network Technology, Nanjing University of Posts and Telecommunications, Ministry of Education, Nanjing 210003 (China); Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei 230026 (China)
2016-04-01
In this paper, we propose to implement the heralded pair-coherent source into the measurement-device-independent quantum key distribution. By comparing its performance with other existing schemes, we demonstrate that our new scheme can overcome many shortcomings existing in current schemes, and show excellent behavior in the quantum key distribution. Moreover, even when taking the statistical fluctuation into account, we can still obtain quite high key generation rate at very long transmission distance by using our new scheme. - Highlights: • Implement the heralded pair-coherent source into the measurement-device-independent quantum key distribution. • Overcome many shortcomings existing in current schemes and show excellent behavior. • Obtain quite high key generation rate even when taking statistical fluctuation into account.
Many-body pairing in a two-dimensional Fermi gas
Energy Technology Data Exchange (ETDEWEB)
Neidig, Mathias
2017-05-24
This thesis reports on experiments conducted in a single layer, quasi two-dimensional, two-component ultracold Fermi gas in the strongly interacting regime. Ultracold gases can be used to simulate key aspects of more complicated systems like for example cuprates which show high-T{sub c} superconductivity. The momentum distribution of a sample of bosonic dimers in a quasi-2D square lattice geometry was measured to obtain the coherence properties. For shallow lattices, sharp peaks in the momentum distribution, indicating coherence, were observed at zero momentum as well as at positive and negative lattice momenta along each axis. For deeper lattices, heating impeded the ability to prepare a Mott-insulator. A spatially resolved radio-frequency spectroscopy was employed for a quasi-2D Fermi gas in the normal phase throughout the BEC-BCS crossover. The interaction induced energy shifts were measured in the strongly interacting region where they can be on the order of the Fermi energy and thus the local resolution is crucial. Furthermore, the onset of pairing in the strongly interacting region was measured as a function of temperature and it was shown that the fraction of free atoms decreases faster than expected from thermal non-interacting theory. At last, the pairing gap was measured using an imbalanced sample. On the BEC side it was found to be in very good agreement with two-body physics as expected. In the strongly interacting regime, however, a deviation from two-body physics indicates that here many-body effects play a role and thus further studies are required.
International Nuclear Information System (INIS)
Pen'kov, F.M.
1998-01-01
The Born-Oppenheimer approximation is used to obtain an equation for the effective interaction in three atoms bound by a single electron. For low binding energies in an 'electron + atom' pair, long-range forces arise between the atoms, leading to bound states when the size of the three-atom cluster is a few tens of angstrom. A system made of alkali-metal atoms is considered as an example
The elimination of singularities in pair correlation functions of a multicomponent liquid system
International Nuclear Information System (INIS)
Vasil'jev, O.M.; Chalij, O.V.
2004-01-01
In this paper we propose a method that allows to find nonsingular expressions for pair correlation functions of a multicomponent liquid system. The nature of the method deals with using integral and differential Ornstein-Zernike equations for finding asymptotic expressions for pair correlation functions and their subsequent precision. The obtained results are analyzed taking into account their possible applicability for studying the correlative behaviour of multicomponent liquid systems
Unifying distribution functions: some lesser known distributions.
Moya-Cessa, J R; Moya-Cessa, H; Berriel-Valdos, L R; Aguilar-Loreto, O; Barberis-Blostein, P
2008-08-01
We show that there is a way to unify distribution functions that describe simultaneously a classical signal in space and (spatial) frequency and position and momentum for a quantum system. Probably the most well known of them is the Wigner distribution function. We show how to unify functions of the Cohen class, Rihaczek's complex energy function, and Husimi and Glauber-Sudarshan distribution functions. We do this by showing how they may be obtained from ordered forms of creation and annihilation operators and by obtaining them in terms of expectation values in different eigenbases.
Dislocation processes in quasicrystals-Kink-pair formation control or jog-pair formation control
International Nuclear Information System (INIS)
Takeuchi, Shin
2005-01-01
A computer simulation of dislocation in a model quasiperiodic lattice indicates that the dislocation feels a large Peierls potential when oriented in particular directions. For a dislocation with a high Peierls potential, the glide velocity and the climb velocity of the dislocation can be described almost in parallel in terms of the kink-pair formation followed by kink motion and the jog-pair formation followed by jog motion, respectively. The activation enthalpy of the kink-pair formation is the sum of the kink-pair formation enthalpy and the atomic jump activation enthalpy, while the activation enthalpy of the jog-pair formation involves the jog-pair enthalpy and the self-diffusion enthalpy. Since the kink-pair energy can be considerably larger than the jog-pair energy, the climb velocity can be faster than the glide velocity, so that the plastic deformation of quasicrystals can be brought not by dislocation glide but by dislocation climb at high temperatures
Pinning down the large-x gluon with NNLO top-quark pair differential distributions
Czakon, Michał; Hartland, Nathan P.; Mitov, Alexander; Nocera, Emanuele R.; Rojo, Juan
2016-01-01
Top-quark pair production at the LHC is directly sensitive to the gluon PDF at large x. While total cross-section data is already included in several PDF determinations, differential distributions are not, because the corresponding NNLO calculations have become available only recently. In this work
Directory of Open Access Journals (Sweden)
Malý Milan
2017-01-01
Full Text Available The spray symmetry is an important aspect in most practical applications. However, it is often an overlooked parameter. A measurement of circumferential distribution was carried out by a circular-sectored vessel on several pressure-swirl atomizers with spill-line over a wide range of injection pressure. The obtained results show that the spray uniformity improves markedly with the injection pressure. The increase in a number of tangential entry ports has only a minor effect on the spray uniformity. Even a small mechanical corruption of the atomizer internal parts negatively affects the spray patternation.
Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys
International Nuclear Information System (INIS)
Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias; Stocks, Malcolm; Caro, Alfredo
2015-01-01
The aim of this study is to characterize some atomic-scale properties of Ni-based FCC multicomponent alloys. For this purpose, we use Monte Carlo method combined with density functional theory calculations to study short-range order (SRO), atomic displacements, electronic density of states, and magnetic moments in equimolar ternary NiCrCo, and quaternary NiCrCoFe alloys. According to our study, the salient features for the ternary alloy are a negative SRO parameter between Ni–Cr and a positive between Cr–Cr pairs as well as a weakly magnetic state. For the quaternary alloy we predict negative SRO parameter for Ni–Cr and Ni–Fe pairs and positive for Cr–Cr and Fe–Fe pairs. Atomic displacements for both ternary and quaternary alloys are negligible. In contrast to the ternary, the quaternary alloy shows a complex magnetic structure. The electronic structure of the ternary and quaternary alloys shows differences near the Fermi energy between a random solid solution and the predicted structure with SRO. Despite that, the calculated EXAFS spectra does not show enough contrast to discriminate between random and ordered structures. The predicted SRO has an impact on point-defect energetics, electron–phonon coupling and thermodynamic functions and thus, SRO should not be neglected when studying properties of these two alloys
Multi-pair states in electron–positron pair creation
Directory of Open Access Journals (Sweden)
Anton Wöllert
2016-09-01
Full Text Available Ultra strong electromagnetic fields can lead to spontaneous creation of single or multiple electron–positron pairs. A quantum field theoretical treatment of the pair creation process combined with numerical methods provides a description of the fermionic quantum field state, from which all observables of the multiple electron–positron pairs can be inferred. This allows to study the complex multi-particle dynamics of electron–positron pair creation in-depth, including multi-pair statistics as well as momentum distributions and spin. To illustrate the potential benefit of this approach, it is applied to the intermediate regime of pair creation between nonperturbative Schwinger pair creation and perturbative multiphoton pair creation where the creation of multi-pair states becomes nonnegligible but cascades do not yet set in. Furthermore, it is demonstrated how spin and helicity of the created electrons and positrons are affected by the polarization of the counterpropagating laser fields, which induce the creation of electron–positron pairs.
Multi-pair states in electron–positron pair creation
Energy Technology Data Exchange (ETDEWEB)
Wöllert, Anton, E-mail: woellert@mpi-hd.mpg.de; Bauke, Heiko, E-mail: heiko.bauke@mpi-hd.mpg.de; Keitel, Christoph H.
2016-09-10
Ultra strong electromagnetic fields can lead to spontaneous creation of single or multiple electron–positron pairs. A quantum field theoretical treatment of the pair creation process combined with numerical methods provides a description of the fermionic quantum field state, from which all observables of the multiple electron–positron pairs can be inferred. This allows to study the complex multi-particle dynamics of electron–positron pair creation in-depth, including multi-pair statistics as well as momentum distributions and spin. To illustrate the potential benefit of this approach, it is applied to the intermediate regime of pair creation between nonperturbative Schwinger pair creation and perturbative multiphoton pair creation where the creation of multi-pair states becomes nonnegligible but cascades do not yet set in. Furthermore, it is demonstrated how spin and helicity of the created electrons and positrons are affected by the polarization of the counterpropagating laser fields, which induce the creation of electron–positron pairs.
Multi-pair states in electron–positron pair creation
International Nuclear Information System (INIS)
Wöllert, Anton; Bauke, Heiko; Keitel, Christoph H.
2016-01-01
Ultra strong electromagnetic fields can lead to spontaneous creation of single or multiple electron–positron pairs. A quantum field theoretical treatment of the pair creation process combined with numerical methods provides a description of the fermionic quantum field state, from which all observables of the multiple electron–positron pairs can be inferred. This allows to study the complex multi-particle dynamics of electron–positron pair creation in-depth, including multi-pair statistics as well as momentum distributions and spin. To illustrate the potential benefit of this approach, it is applied to the intermediate regime of pair creation between nonperturbative Schwinger pair creation and perturbative multiphoton pair creation where the creation of multi-pair states becomes nonnegligible but cascades do not yet set in. Furthermore, it is demonstrated how spin and helicity of the created electrons and positrons are affected by the polarization of the counterpropagating laser fields, which induce the creation of electron–positron pairs.
Location of Framework Al Atoms in the Channels of ZSM-5: Effect of the (Hydrothermal) Synthesis.
Pashkova, Veronika; Sklenak, Stepan; Klein, Petr; Urbanova, Martina; Dědeček, Jiří
2016-03-14
(27) Al 3Q MAS NMR and UV/Vis spectroscopy with bare Co(II) ions as probes of Al pairs in the zeolite framework were employed to analyze the location of framework Al atoms in the channel system of zeolite ZSM-5. Furthermore, the effect of Na(+) ions together with tetrapropylammonium cation (TPA(+)) in the ZSM-5 synthesis gel on the location of Al in the channel system was investigated. Zeolites prepared using exclusively TPA(+) as a structure-directing agent (i.e., in the absence of Na(+) ions) led to 55-90% of Al atoms located at the channel intersection, regardless the presence or absence of Al pairs [Al-O-(Si-O)2 -Al sequences in one ring] in the zeolite framework. The presence of Na(+) ions in the synthesis gel did not modify the Al location at the channel intersection (55-95% of Al atoms) and led only to changes in i) the distribution of framework Al atoms between Al pairs (decrease) and single isolated Al atoms (increase), and ii) the siting of Al in distinguishable framework tetrahedral sites. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Non-thermal distribution of O(1D) atoms in the night-time thermosphere
Yee, Jeng-Hwa
1988-01-01
The 6300 A O(1D-3P) emission has been used for many years to remotely monitor the thermospheric temperature from the Doppler width of its line profile. The O(1D) atoms in the nighttime thermosphere are initially produced by the dissociative recombination of O2(+) ions with kinetic energy much greater than the thermal energy of the ambient neutrals. The validity of the technique to monitor neutral ambient temperature by measuring O(1D) 6300 A emission depends on the degree of thermalization of the O(1D) atoms. The object of this study is to calculate the velocity distribution of the O(1D) atoms and to examine the effect of nonthermal distribution on the nighttime thermospheric neutral temperature determined.
Dynamical density functional theory for dense atomic liquids
International Nuclear Information System (INIS)
Archer, A J
2006-01-01
Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium density functional theory. This means that, given a reliable equilibrium free energy functional, the correct equilibrium fluid density profile is guaranteed. We show that when the isothermal compressibility is small, the DDFT generates the correct value for the speed of sound in a dense liquid. We also interpret the theory as a dynamical equation for a coarse grained fluid density and show that the theory can be used (making further approximations) to derive the standard mode coupling theory that is used to describe the glass transition. The present theory should provide a useful starting point for describing the dynamics of inhomogeneous atomic fluids
Investigation of systematic errors of metastable "atomic pair" number
Yazkov, V
2015-01-01
Sources of systematic errors in analysis of data, collected in 2012, are analysed. Esti- mations of systematic errors in a number of “atomic pairs” fr om metastable π + π − atoms are presented.
Amusia, M. Ya.; Chernysheva, L. V.
2018-01-01
We investigate ground state properties of atoms, in which substitute fermions - electrons by bosons, namely π --mesons. We perform some calculations in the frame of modified Hartree-Fock (HF) equation. The modification takes into account symmetry, instead of anti-symmetry of the pair identical bosons wave function. The modified HF approach thus enhances (doubles) the effect of self-action for the boson case. Therefore, we accordingly modify the HF equations by eliminating the self-action terms "by hand". The contribution of meson-meson and meson-nucleon non-Coulomb interaction is inessential at least for atoms with low and intermediate nuclear charge, which is our main subject. We found that the binding energy of pion negative ions A π - , pion atoms A π , and the number of extra bound pions ΔN π increases with the growth of nuclear charge Z. For e.g. Xe ΔN π = 4. As an example of a simple process with a pion atom, we consider photoionization that differs essentially from that for electron atoms. Namely, it is not monotonic decreasing from the threshold but has instead a prominent maximum above threshold. We study also elastic scattering of pions by pion atoms.
Nitrogen Atom Energy Distributions in a Hollow-cathode Planar Sputtering Magnetron
International Nuclear Information System (INIS)
Ruzic, D.N.; Goeckner, M.J.; Cohen, S.A.; Wang, Zhehui
1999-01-01
Energy distributions of N atoms in a hollow-cathode planar sputtering magnetron were obtained by use of optical emission spectroscopy. A characteristic line, N I 8216.3 , well-separated from molecular nitrogen emission bands, was identified. Jansson's nonlinear spectral deconvolution method, refined by minimization of χ w ampersand sup2; , was used to obtain the optimal deconvolved spectra. These showed nitrogen atom energies from 1 eV to beyond 500 eV. Based on comparisons with VFTRIM results, we propose that the energetic N atoms are generated from N 2 + ions after these ions are accelerated through the sheath and dissociatively reflect from the cathode
Functionally segregated neural substrates for arbitrary audiovisual paired-association learning.
Tanabe, Hiroki C; Honda, Manabu; Sadato, Norihiro
2005-07-06
To clarify the neural substrates and their dynamics during crossmodal association learning, we conducted functional magnetic resonance imaging (MRI) during audiovisual paired-association learning of delayed matching-to-sample tasks. Thirty subjects were involved in the study; 15 performed an audiovisual paired-association learning task, and the remainder completed a control visuo-visual task. Each trial consisted of the successive presentation of a pair of stimuli. Subjects were asked to identify predefined audiovisual or visuo-visual pairs by trial and error. Feedback for each trial was given regardless of whether the response was correct or incorrect. During the delay period, several areas showed an increase in the MRI signal as learning proceeded: crossmodal activity increased in unimodal areas corresponding to visual or auditory areas, and polymodal responses increased in the occipitotemporal junction and parahippocampal gyrus. This pattern was not observed in the visuo-visual intramodal paired-association learning task, suggesting that crossmodal associations might be formed by binding unimodal sensory areas via polymodal regions. In both the audiovisual and visuo-visual tasks, the MRI signal in the superior temporal sulcus (STS) in response to the second stimulus and feedback peaked during the early phase of learning and then decreased, indicating that the STS might be key to the creation of paired associations, regardless of stimulus type. In contrast to the activity changes in the regions discussed above, there was constant activity in the frontoparietal circuit during the delay period in both tasks, implying that the neural substrates for the formation and storage of paired associates are distinct from working memory circuits.
Angular distribution and atomic effects in condensed phase photoelectron spectroscopy
International Nuclear Information System (INIS)
Davis, R.F.
1981-11-01
A general concept of condensed phase photoelectron spectroscopy is that angular distribution and atomic effects in the photoemission intensity are determined by different mechanisms, the former being determined largely by ordering phenomena such as crystal momentum conservation and photoelectron diffraction while the latter are manifested in the total (angle-integrated) cross section. In this work, the physics of the photoemission process is investigated in several very different experiments to elucidate the mechanisms of, and correlation between, atomic and angular distribution effects. Theoretical models are discussed and the connection betweeen the two effects is clearly established. The remainder of this thesis, which describes experiments utilizing both angle-resolved and angle-integrated photoemission in conjunction with synchrotron radiation in the energy range 6 eV less than or equal to h ν less than or equal to 360 eV and laboratory sources, is divided into three parts
International Nuclear Information System (INIS)
Dutchak, Ya.I.; Frenchko, V.S.; Voznyak, O.M.
1975-01-01
Certain models of the structure of three-component melts are considered: the ''quasi-eutectic'' one, the model of statistical distribution of atoms and the ''polystructural'' model. The analytical expressions are given for the area under the first maximum of the curve describing the radial distribution of atoms for certain versions of the ''polystructural'' model. On the example of In-Ga-Ga and Bi-Cd-Sn eutectic melts the possibility of estimating the nature of atomic ordering in three-component melts through checking the models under consideration has been demonstrated
International Nuclear Information System (INIS)
Cortini, Ruggero; Cheng, Xiaolin
2017-01-01
Electrostatic interactions between DNA molecules have been extensively studied experimentally and theoretically, but several aspects (e.g. its role in determining the pitch of the cholesteric DNA phase) still remain unclear. Here, we performed large-scale all-atom molecular dynamics simulations in explicit water and 150 mM sodium chloride, to reconstruct the potential of mean force (PMF) of two DNA oligomers 24 base pairs long as a function of their interaxial angle and intermolecular distance. We find that the potential of mean force is dominated by total DNA charge, and not by the helical geometry of its charged groups. The theory of homogeneously charged cylinders fits well all our simulation data, and the fit yields the optimal value of the total compensated charge on DNA to ≈65% of its total fixed charge (arising from the phosphorous atoms), close to the value expected from Manning's theory of ion condensation. The PMF calculated from our simulations does not show a significant dependence on the handedness of the angle between the two DNA molecules, or its size is on the order of 1k B T. Thermal noise for molecules of the studied length seems to mask the effect of detailed helical charge patterns of DNA. The fact that in monovalent salt the effective interaction between two DNA molecules is independent on the handedness of the tilt may suggest that alternative mechanisms are required to understand the cholesteric phase of DNA.
Electronic and atomic structure of the AlnHn+2 clusters
DEFF Research Database (Denmark)
Martinez, Jose Ignacio; Alonso, J.A.
2008-01-01
The electronic and atomic structure of the family of hydrogenated Al clusters AlnHn+2 with n=4-11 has been studied using the density functional theory with the generalized gradient approximation (GGA) for exchange and correlation. All these clusters have substantial gaps between the highest...... a polyhedron of n vertices and n H atoms form strong H-Al terminal bonds; one pair of electrons is involved in each of those bonds. The remaining n+1 electron pairs form a delocalized cloud over the surface of the Al cage. The clusters fulfilling the Wade-Mingos rule have wider HOMO-LUMO gaps...... and are chemically more stable. The trends in the gap have some reflections in the form of the photoabsorption spectra, calculated in the framework of time-dependent density functional theory using the GGA single-particle energies and orbitals and a local density approximation exchange-correlation kernel....
Quantum mechanics on phase space: The hydrogen atom and its Wigner functions
Campos, P.; Martins, M. G. R.; Fernandes, M. C. B.; Vianna, J. D. M.
2018-03-01
Symplectic quantum mechanics (SQM) considers a non-commutative algebra of functions on a phase space Γ and an associated Hilbert space HΓ, to construct a unitary representation for the Galilei group. From this unitary representation the Schrödinger equation is rewritten in phase space variables and the Wigner function can be derived without the use of the Liouville-von Neumann equation. In this article the Coulomb potential in three dimensions (3D) is resolved completely by using the phase space Schrödinger equation. The Kustaanheimo-Stiefel(KS) transformation is applied and the Coulomb and harmonic oscillator potentials are connected. In this context we determine the energy levels, the amplitude of probability in phase space and correspondent Wigner quasi-distribution functions of the 3D-hydrogen atom described by Schrödinger equation in phase space.
Experimental study of single-vertex $(e^{-}-e^{+})$ pair creation in a crystal
2002-01-01
This experiment will study the newly predicted process of $e^{-}-e^{+}$ pair production by high energy photons incident along major axial direction of a single crystal. This process is based upon the well-known channeling properties of negatively charged particles along atomic rows of a crystal. The $e^{-}-e^{+}$ pair creation may proceed in a one-step process, without violating energy and momentum conversation laws, due to the lowering of the total energy of the channeled electron (Fig. 1). \\\\ \\\\ The pair creation rate should increase with increasing photon energies (above a threshold of a few GeV) and largely exceed the Bethe-Heitler process rate for photon energies of a few tens of GeV. It is also expected that the created particles share the photon energy nearly equally, in contrast with the rather flat energy distribution associated with the Bethe-Heitler process. \\\\ \\\\ The experimental set-up (Fig. 2) is designed for the study of those two features: photon energy dependence of the pair creation rate, an...
Electron-positron pair production by two identical photons in the nuclear field
International Nuclear Information System (INIS)
Smirnov, A.I.
1977-01-01
In the Born approximation of the perturbation theory considered is a nonlinear effect of the electron-positron pair production by two identical photons in the Coulomb field of an atomic nucleus. The kinematic version of identical photons is studied. All the particles are considered to be nonpolarized. The calculation of the differential probability of the effect has been carried out earlier by the Feynman method. The total probability of the effect in limiting energy ranges is determined by integrating the formulas of the pair component distribution over energies. The probabilities of the electron-positron pair production and fusion of two photons into one in the nucleus field have been compared for the case of identical quanta. From the comparison of the results of analyzing both the nonlinear effects it follows that in the high-energy range the electron-positron pair production by two identical photons in the nucleus field extremely predominates over the fusion of two photons into one photon in the same field
Energy distributions of atoms sputtered from alkali halides by 540 eV electrons, Ch.1
International Nuclear Information System (INIS)
Overeijnder, H.; Szymonski, M.; Haring, A.; Vries, A.E. de
1978-01-01
The emission of halogen and alkali atoms, occurring under bombardment of alkali halides with electrons has been investigated. The electron energy was 540 eV and the temperature of the target was varied between room temperature and 400 0 C. The energy distribution of the emitted neutral particles was measured with a time of flight method. It was found that either diffusing interstitial halogen atoms or moving holes dominate the sputtering process above 200 0 C. Below 150 0 C alkali halides with lattice parameters s/d >= 0.33 show emission of non-thermal halogen atoms. s is the interionic space between two halogen ions in a direction and d is the diameter of a halogen atom. In general the energy distribution of the alkali and halogen atoms is thermal above 200 0 C, but not Maxwellian. (Auth.)
Distribution of quantum information between an atom and two photons
International Nuclear Information System (INIS)
Weber, Bernhard
2008-01-01
The construction of networks consisting of optically interconnected processing units is a promising way to scale up quantum information processing systems. To store quantum information, single trapped atoms are among the most proven candidates. By placing them in high finesse optical resonators, a bidirectional information exchange between the atoms and photons becomes possible with, in principle, unit efficiency. Such an interface between stationary and ying qubits constitutes a possible node of a future quantum network. The results presented in this thesis demonstrate the prospects of a quantum interface consisting of a single atom trapped within the mode of a high-finesse optical cavity. In a two-step process, we distribute entanglement between the stored atom and two subsequently emitted single photons. The long atom trapping times achieved in the system together with the high photon collection efficiency of the cavity make the applied protocol in principle deterministic, allowing for the creation of an entangled state at the push of a button. Running the protocol on this quasi-stationary quantum interface, the internal state of the atom is entangled with the polarization state of a single emitted photon. The entanglement is generated by driving a vacuum-stimulated Raman adiabatic passage between states of the coupled atom-cavity system. In a second process, the atomic part of the entangled state is mapped onto a second emitted photon using a similar technique and resulting in a polarization-entangled two-photon state. To verify and characterize the photon-photon entanglement, we measured a violation of a Bell inequality and performed a full quantum state tomography. The results prove the prior atom-photon entanglement and demonstrate a quantum information transfer between the atom and the two emitted photons. This reflects the advantages of a high-finesse cavity as a quantum interface in future quantum networks. (orig.)
Distribution of quantum information between an atom and two photons
Energy Technology Data Exchange (ETDEWEB)
Weber, Bernhard
2008-11-03
The construction of networks consisting of optically interconnected processing units is a promising way to scale up quantum information processing systems. To store quantum information, single trapped atoms are among the most proven candidates. By placing them in high finesse optical resonators, a bidirectional information exchange between the atoms and photons becomes possible with, in principle, unit efficiency. Such an interface between stationary and ying qubits constitutes a possible node of a future quantum network. The results presented in this thesis demonstrate the prospects of a quantum interface consisting of a single atom trapped within the mode of a high-finesse optical cavity. In a two-step process, we distribute entanglement between the stored atom and two subsequently emitted single photons. The long atom trapping times achieved in the system together with the high photon collection efficiency of the cavity make the applied protocol in principle deterministic, allowing for the creation of an entangled state at the push of a button. Running the protocol on this quasi-stationary quantum interface, the internal state of the atom is entangled with the polarization state of a single emitted photon. The entanglement is generated by driving a vacuum-stimulated Raman adiabatic passage between states of the coupled atom-cavity system. In a second process, the atomic part of the entangled state is mapped onto a second emitted photon using a similar technique and resulting in a polarization-entangled two-photon state. To verify and characterize the photon-photon entanglement, we measured a violation of a Bell inequality and performed a full quantum state tomography. The results prove the prior atom-photon entanglement and demonstrate a quantum information transfer between the atom and the two emitted photons. This reflects the advantages of a high-finesse cavity as a quantum interface in future quantum networks. (orig.)
International Nuclear Information System (INIS)
Chialvo, Ariel A.; Simonson, J. Michael
2010-01-01
We analyzed the solvation behavior of aqueous lithium, nickel, and ytterbium sulfates at ambient conditions in terms of the relevant radial distributions functions and the corresponding first-order difference of the sulfur-site neutron weighted distribution functions generated by isothermal-isobaric molecular dynamics simulation. We determined of the partial contributions to the neutron weighted distribution functions, to identify the main peaks, and the effect of the contact ion-pair configuration on the resulting H-S coordination number. Finally, we assessed the extent of the ion-pair formation according to Poirier-DeLap formalism and highlighted the significant increase of the ion-pair association exhibited by these salts with cation charge.
Positive definite functions and dual pairs of locally convex spaces
Directory of Open Access Journals (Sweden)
Daniel Alpay
2018-01-01
Full Text Available Using pairs of locally convex topological vector spaces in duality and topologies defined by directed families of sets bounded with respect to the duality, we prove general factorization theorems and general dilation theorems for operator-valued positive definite functions.
Kilgard, Michael P; Rennaker, Robert L; Alexander, Jen; Dawson, Jesse
2018-01-01
Recent studies indicate that vagus nerve stimulation (VNS) paired with rehabilitation can enhance neural plasticity in the primary sensory and motor cortices, improve forelimb function after stroke in animal models and improve motor function in patients with arm weakness after stroke. To gain "first-in-man" experience of VNS paired with tactile training in a patient with severe sensory impairment after stroke. During the long-term follow-up phase of a clinical trial of VNS paired with motor rehabilitation, a 71-year-old man who had made good motor recovery had ongoing severe sensory loss in his left hand and arm. He received VNS paired with tactile therapy in an attempt to improve his sensory function. During twenty 2-hour sessions, each passive and active tactile event was paired with a 0.5 second burst of 0.8 mA VNS. Sensory function was measured before, halfway through, and after this therapy. The patient did not report any side effects during or following VNS+Tactile therapy. Quantitative measures revealed lasting and clinically meaningful improvements in tactile threshold, proprioception, and stereognosis. After VNS+Tactile therapy, the patient was able to detect tactile stimulation to his affected hand that was eight times less intense, identify the joint position of his fingers in the affected hand three times more often, and identify everyday objects using his affected hand seven times more often, compared to baseline. Sensory function significantly improved in this man following VNS paired with tactile stimulation. This approach merits further study in controlled clinical trials.
Pairing phase transition and thermodynamical quantities in 148,149Sm
International Nuclear Information System (INIS)
Razavi, R.; Behkami, A.N.; Dehghani, V.
2014-01-01
The nuclear level densities and entropies in 148,149 Sm have been calculated in the framework of the superconducting theory that includes modified nuclear pairing gap. For modified pairing gap parameter the smooth transition from the BCS to the Fermi type distributions is used. By applying modified pairing gap, the extracted S-shaped heat capacity as a function of nuclear temperature exhibits a physical and smoother behavior instead of the singular behavior predicted by the BCS equations at critical temperature
Needs for fundamental atomic reference data and data distribution — a collage of discussions
Boumans, P. W. J. M.
This article reports, in edited form, the discussions following a series of presentations during a Workshop " Needs for Fundamental Atomic Reference Data for Analytical Spectroscopy". This report forms part of the complete Proceedings of the Workshop, in which the extended and edited texts of the presentations, along with the conclusions, are bundled [ Spectrochim. Acta43B, No. 1 (1988)]. In the present "collage", the discussions are grouped under the following headings: (a) targets of the workshop, (b) distribution of the questionnaire, (c) data compilation, (d) clearinghouse for data — accuracy and critical evaluation of data — confidence in data, (e) spectral simulation — partition functions — COSMIC program —understanding the ICP, (f) work at the National Bureau of Standards (NBS) — information on NBS publications, (g) approaches to and instruments for data compilation — multielement interference corrections, (h) type of database and database manager, (i) atomic fluorescence spectrometry - Rydberg states, and (j) transient discharges.
Effective pair potentials for spherical nanoparticles
International Nuclear Information System (INIS)
Van Zon, Ramses
2009-01-01
An effective description for rigid spherical nanoparticles in a fluid of point particles is presented. The points inside the nanoparticles and the point particles are assumed to interact via spherically symmetric additive pair potentials, while the distribution of points inside the nanoparticles is taken to be spherically symmetric and smooth. The resulting effective pair interactions between a nanoparticle and a point particle, as well as between two nanoparticles, are then given by spherically symmetric potentials. If overlap between particles is allowed, as can occur for some forms of the pair potentials, the effective potential generally has non-analytic points. It is shown that for each effective potential the expressions for different overlapping cases can be written in terms of one analytic auxiliary potential. Even when only non-overlapping situations are possible, the auxiliary potentials facilitate the formulation of the effective potentials. Effective potentials for hollow nanoparticles (appropriate e.g. for buckyballs) are also considered and shown to be related to those for solid nanoparticles. For hollow nanoparticles overlap is more physical, since this covers the case of a smaller particle embedded in a larger, hollow nanoparticle. Finally, explicit expressions are given for the effective potentials derived from basic pair potentials of power law and exponential form, as well as from the commonly used London–van der Waals, Morse, Buckingham, and Lennard-Jones potentials. The applicability of the latter is demonstrated by comparison with an atomic description of nanoparticles with an internal face centered cubic structure
Hanbury Brown and Twiss and other atom-atom correlations: advances in quantum atom optics
CERN. Geneva
2008-01-01
Fifty years ago, two astronomers, R. Hanbury Brown and R. Q. Twiss, invented a new method to measure the angular diameter of stars, in spite of the atmospheric fluctuations. Their proposal prompted a hot debate among physicists : how might two particles (photons), emitted independently (at opposite extremities of a star) , behave in a correlated way when detected ? It was only after the development of R Glauber's full quantum analysis that the effect was understood as a two particle quantum interference effect. From a modern perspective, it can be viewed as an early example of the amazing properties of pairs of entangled particles. The effect has now been observed with bosonic and fermionic atoms, stressing its fully quantum character. After putting these experiments in a historical perspective, I will present recent results, and comment on their significance. I will also show how our single atom detection scheme has allowed us to demonstrate the creation of atom pairs by non linear mixing of matter wa...
Synchrotron radiation and atom pair correlation functions in electrolyte solutions
International Nuclear Information System (INIS)
Triolo, R.; D'Aprano, A.
1978-01-01
Despite the enormous effort invested in experimental determinations of the properties of water and aqueous solutions, understanding is still rudimentary. Many of the problems are consequences of a nonrigorous definition of interparticle interactions. It is now clear that after properly ion--water interactions in terms of probability functions of position and orientation it is possible to probe these interactions at molecular levels using diffraction experiments. The role of synchrotron x-ray radiation in this context is being examined. Emphasis is given to the possibility of performing different experiments analogous to those done using the isotopic substitution method in neutron diffraction
On the atomic shell structure calculation (1)
International Nuclear Information System (INIS)
Choe Sun Chol
1986-01-01
We have considered the problem of atomic shell structure calculation using operator technique. We introduce reduced matrix elements of annihilation operators according to eg. (4). The normalized basis function is denoted as || ...>. The reduced matrix elements of the pair annihilation operators are expressed throw one-electron matrix elements. Some numerical results are represented and the problem of sign assignment is discussed. (author)
A family of tridiagonal pairs and related symmetric functions
International Nuclear Information System (INIS)
Baseilhac, Pascal
2006-01-01
A family of tridiagonal pairs which appear in the context of quantum integrable systems is studied in detail. The corresponding eigenvalue sequences, eigenspaces and the block tridiagonal structure of their matrix realizations with respect the dual eigenbasis are described. The overlap functions between the two dual bases are shown to satisfy a coupled system of recurrence relations and a set of discrete second-order q-difference equations which generalize those associated with the Askey-Wilson orthogonal polynomials with a discrete argument. Normalizing the fundamental solution to unity, the hierarchies of solutions are rational functions of one discrete argument, explicitly derived in some simplest examples. The weight function which ensures the orthogonality of the system of rational functions defined on a discrete real support is given
A family of tridiagonal pairs and related symmetric functions
Energy Technology Data Exchange (ETDEWEB)
Baseilhac, Pascal [Laboratoire de Mathematiques et Physique Theorique CNRS/UMR 6083, Federation Denis Poisson, Universite de Tours, Parc de Grandmont, 37200 Tours (France)
2006-09-22
A family of tridiagonal pairs which appear in the context of quantum integrable systems is studied in detail. The corresponding eigenvalue sequences, eigenspaces and the block tridiagonal structure of their matrix realizations with respect the dual eigenbasis are described. The overlap functions between the two dual bases are shown to satisfy a coupled system of recurrence relations and a set of discrete second-order q-difference equations which generalize those associated with the Askey-Wilson orthogonal polynomials with a discrete argument. Normalizing the fundamental solution to unity, the hierarchies of solutions are rational functions of one discrete argument, explicitly derived in some simplest examples. The weight function which ensures the orthogonality of the system of rational functions defined on a discrete real support is given.
Pair production with electron capture in peripheral collisions of relativistic heavy ions
Energy Technology Data Exchange (ETDEWEB)
Bertulani, C.A.C.A. E-mail: bertu@if.ufrj.br; Dolci, D.D. E-mail: dolci@if.ufrj.br
2001-02-26
The production of electron-positron pairs with the capture of the electron in an atomic orbital is investigated for the conditions of the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC). Dirac wave functions for the leptons are used, taking corrections to orders of Z{alpha} into account. The dependence on the transverse momentum transfer is studied and the accuracy of the equivalent photon approximation is discussed as a function of the nuclear charge.
Performance of various density functionals for the hydrogen bonds in DNA base pairs
van der Wijst, T.; Fonseca Guerra, C.; Swart, M.; Bickelhaupt, F.M.
2006-01-01
We have investigated the performance of seven popular density functionals (B3LYP, BLYP, BP86, mPW, OPBE, PBE, PW91) for describing the geometry and stability of the hydrogen bonds in DNA base pairs. For the gas-phase situation, the hydrogen-bond lengths and strengths in the DNA pairs have been
Polarizational radiation or 'atomic' bremsstrahlung
International Nuclear Information System (INIS)
Ya Amusia, M.
1992-01-01
It is demonstrated that a new kind of continuum spectrum radiation exists, where the mechanism of formation is quite different from that of ordinary bremsstrahlung. The latter originates due to slowing down of the charged projectile in the target field, while the former, called polarization radiation or 'atomic' bremsstrahlung, is a result of radiation either of the target or the projectile particles dipolarly polarized during the collision process. Not only general formulae, but also results of concrete calculations are presented. These demonstrate, that for electron-atom collisions the atomic contribution to the total bremsstrahlung spectrum becomes dominant for photon energies near and above the atomic ionization potential. As to atom-atom or ion-atom collisions, the bremsstrahlung spectrum is completely determined by the atomic contribution. The specific features of the case when the incoming particles are relativistic are discussed at length. A number of examples of colliding pairs are considered, for which the atomic bremsstrahlung process is quite essential: A bare nucleus and an atom, pair of atoms, at least one of which is excited, electron, or atom interacting with a molecule. The same mechanism is essential also in formation of radiation in nuclear and elementary particle collisions. (orig.)
Collisional excitation of ArH+ by hydrogen atoms
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.
Pairing in Cold Atoms and other Applications for Quantum Monte Carlo methods
International Nuclear Information System (INIS)
Bajdich, Michal; Kolorenc, Jindrich; Mitas, Lubos; Reynolds, P.J.
2010-01-01
We discuss the importance of the fermion nodes for the quantum Monte Carlo (QMC) methods and find two cases of the exact nodes. We describe the structure of the generalized pairing wave functions in Pfaffian antisymmetric form and demonstrate their equivalency with certain class of configuration interaction wave functions. We present the QMC calculations of a model fermion system at unitary limit. We find the system to have the energy of E = 0.425Efree and the condensate fraction of = 0.48. Further we also perform the QMC calculations of the potential energy surface and the electric dipole moment along that surface of the LiSr molecule. We estimate the vibrationally averaged dipole moment to be D =0 = 0.4(2).
Calculation of the electric potential around two identical atoms or ions
International Nuclear Information System (INIS)
Salzmann, D.
1994-01-01
Problems of diatomic molecules and atom-atom collisions, in which two identical atoms take part, or nearest-neighbor interactions in hot plasmas require the computations of the electric potential and the electron charge distribution around such a two-centered object. The electric potential around two such identical atoms or ions fulfills special symmetry conditions. These symmetries include a cylindrical symmetry around the line connecting the centers of the two atoms and a reflection symmetry around the plane perpendicular to this line halfway between the two atoms. When the two atoms are far apart, the asymptotic behavior of the charge-state distribution and the potential are those of two separated isolated atoms each of which can be expanded into multipole components around its nucleus. We define a set of new functions T mk (y,y n ) Eq. (2.25), which connect the various multipole components of the electric potential to those of the electron charge distribution in such a two-identical-atom problem, and which take into account all the above symmetry conditions. The great advantage of these transformation functions is the fact that by accounting for the above symmetry conditions, the three-dimensional integration required for the computation of the local electric microfield directly from the Poisson equation is practically reduced to a one-dimensional one. It is shown that the use of these functions greatly reduces the complexity and computation times of problems in which two identical atoms are involved, particularly for high-Z atoms. Explicit exact formulas are given for the computation of the T mk functions. An example is given which illustrates the use of these functions in first-order perturbation theory. For this special class of problems the procedure presented here results in a closed recursive equation, in which the interatomic distance is the only free parameter
Measurement of complete and continuous Wigner functions for discrete atomic systems
Tian, Yali; Wang, Zhihui; Zhang, Pengfei; Li, Gang; Li, Jie; Zhang, Tiancai
2018-01-01
We measure complete and continuous Wigner functions of a two-level cesium atom in both a nearly pure state and highly mixed states. We apply the method [T. Tilma et al., Phys. Rev. Lett. 117, 180401 (2016), 10.1103/PhysRevLett.117.180401] of strictly constructing continuous Wigner functions for qubit or spin systems. We find that the Wigner function of all pure states of a qubit has negative regions and the negativity completely vanishes when the purity of an arbitrary mixed state is less than 2/3 . We experimentally demonstrate these findings using a single cesium atom confined in an optical dipole trap, which undergoes a nearly pure dephasing process. Our method can be applied straightforwardly to multi-atom systems for measuring the Wigner function of their collective spin state.
International Nuclear Information System (INIS)
Xiao, Y; Senin, A A; Ricconi, B J; Kogler, R; Zhu, C J; Eden, J G
2008-01-01
wavepacket, produced by the pump pulse through two-photon association of Rb-Rb collision pairs, is localized. Generating Rb 2 wavepackets on 3 Λ u (Λ = Σ, Δ) potential surfaces at large R (∼7-9 A) favours the Rb 7s and 5d dissociation channels. In contrast, producing dimer wavepackets localized in the R ∼ 3-4 A region suppresses Rb (7s, 5d) generation and favours the production of Rb atomic fragments (primarily 5p) with less internal energy, but maximum velocities of ∼15-20 A ps -1 . Laser excitation spectroscopy on the nanosecond time scale suggests that the (3) 3 Δ u and (7) 3 Σ + u states of Rb 2 (correlated with Rb (5d) + Rb (6s) in the separated atom limit), and possibly a 3 Σ + u state derived from the Rb (7p) + Rb (5s) asymptote, are populated by two-photon absorption of Rb-Rb ground-state collision pairs and predissociation of these levels provides the excited atomic fragments subsequently detected by atomic wavepackets. The data presented here demonstrate the observation of the molecular dissociation transient and the determination of the nascent statistical distribution of atomic product states in a manner that is unencumbered by radiative lifetime or collisional effects. A wavepacket, in tandem with the dipole-dipole interaction and a coherent nonlinear optical process, provides a new avenue for pursuing atom-atom and atom-molecular interactions over a broad range in inter-particle separations
Mercury Binding Sites in Thiol-Functionalized Mesostructured Silica
International Nuclear Information System (INIS)
Billinge, Simon J.L.; McKimmey, Emily J.; Shatnawi, Mouath; Kim, HyunJeong; Petkov, Valeri; Wermeille, Didier; Pinnavaia, Thomas J.
2005-01-01
Thiol-functionalized mesostructured silica with anhydrous compositions of (SiO 2 ) 1-x (LSiO 1.5 ) x , where L is a mercaptopropyl group and x is the fraction of functionalized framework silicon centers, are effective trapping agents for the removal of mercuric(II) ions from water. In the present work, we investigate the mercury-binding mechanism for representative thiol-functionalized mesostructures by atomic pair distribution function (PDF) analysis of synchrotron X-ray powder diffraction data and by Raman spectroscopy. The mesostructures with wormhole framework structures and compositions corresponding to x = 0.30 and 0.50 were prepared by direct assembly methods in the presence of a structure-directing amine porogen. PDF analyses of five mercury-loaded compositions with Hg/S ratios of 0.50-1.30 provided evidence for the bridging of thiolate sulfur atoms to two metal ion centers and the formation of chain structures on the pore surfaces. We find no evidence for Hg-O bonds and can rule out oxygen coordination of the mercury at greater than the 10% level. The relative intensities of the PDF peaks corresponding to Hg-S and Hg-Hg atomic pairs indicate that the mercury centers cluster on the functionalized surfaces by virtue of thiolate bridging, regardless of the overall mercury loading. However, the Raman results indicate that the complexation of mercury centers by thiolate depends on the mercury loading. At low mercury loadings (Hg/S (le) 0.5), the dominant species is an electrically neutral complex in which mercury most likely is tetrahedrally coordinated to bridging thiolate ligands, as in Hg(SBu t ) 2 . At higher loadings (Hg/S 1.0-1.3), mercury complex cations predominate, as evidenced by the presence of charge-balancing anions (nitrate) on the surface. This cationic form of bound mercury is assigned a linear coordination to two bridging thiolate ligands.
The pair potential approach for interfaces: Fundamental problems and practical solutions
International Nuclear Information System (INIS)
Maggs, A.C.; Ashcroft, N.W.
1987-09-01
A fundamental problem in the use of a central pair-force model for defect problems is that it omits three-body and higher terms which are necessarily present in real systems. Electronic fluctuation effects are also usually omitted. While these can be small in the simple metals, they are significant in noble and transition metals, as shown by a simple real space argument. To guage the importance of their effects in interface problems, the structure of a simple sum 5 twist boundary is examined, with the atoms described by both pair- and three-center interactions and as a function of the relative strength of the two. 15 refs
International Nuclear Information System (INIS)
Kawabata, S.; Kashiwaya, S.; Tanaka, Y.; Golubov, A. A.; Asano, Y.
2011-01-01
Full text: A superconducting ring with a π-junction made from superconductor (S) / ferromagnetic- metal (FM) / superconductor (S) exhibits a spontaneous current without an external magnetic field and the corresponding magnetic flux is half a flux quantum in the ground state. Such a π-ring provides so-called 'quiet qubit' that can be efficiently decoupled from the fluctuation of the external field. However, the usage of FM gives rise to strong Ohmic dissipation. Therefore, the realization of π-junctions without FM is highly desired for qubit applications. We theoretically consider the possibility of the π-junction formation in the mesoscopic Josephson junctions with ferromagnetic insulators (FI) by taking into account the band structure of such materials explicitly. In the case of the fully polarized FIs, e.g., La 2 BaCuO 5 (LBCO) and K 2 CuF 4 , we found the formation of a π-junction and a novel atomic-scale 0-π transition induced by increasing the FI thickness LF. In this talk, I will discuss a thermal stability and material-parameter dependences of the atomic-scale 0-π transition as well as possibility of the odd-frequency pairing in such systems. (author)
Quasi-planar elemental clusters in pair interactions approximation
Directory of Open Access Journals (Sweden)
Chkhartishvili Levan
2016-01-01
Full Text Available The pair-interactions approximation, when applied to describe elemental clusters, only takes into account bonding between neighboring atoms. According to this approach, isomers of wrapped forms of 2D clusters – nanotubular and fullerene-like structures – and truly 3D clusters, are generally expected to be more stable than their quasi-planar counterparts. This is because quasi-planar clusters contain more peripheral atoms with dangling bonds and, correspondingly, fewer atoms with saturated bonds. However, the differences in coordination numbers between central and peripheral atoms lead to the polarization of bonds. The related corrections to the molar binding energy can make small, quasi-planar clusters more stable than their 2D wrapped allotropes and 3D isomers. The present work provides a general theoretical frame for studying the relative stability of small elemental clusters within the pair interactions approximation.
dftools: Distribution function fitting
Obreschkow, Danail
2018-05-01
dftools, written in R, finds the most likely P parameters of a D-dimensional distribution function (DF) generating N objects, where each object is specified by D observables with measurement uncertainties. For instance, if the objects are galaxies, it can fit a mass function (D=1), a mass-size distribution (D=2) or the mass-spin-morphology distribution (D=3). Unlike most common fitting approaches, this method accurately accounts for measurement in uncertainties and complex selection functions.
Structure functions and pair correlations of the quark-gluon plasma
International Nuclear Information System (INIS)
Thoma, Markus H.
2005-01-01
Recent experiments at RHIC and theoretical considerations indicate that the quark-gluon plasma, present in the fireball of relativistic heavy-ion collisions, might be in a liquid phase. The liquid state can be identified by characteristic correlation and structure functions. Here definitions of the structure functions and pair correlations of the quark-gluon plasma are presented as well as perturbative results. These definitions might be useful for verifying the quark-gluon-plasma liquid in QCD lattice calculations
Introduction to Density Functional Theory: Calculations by Hand on the Helium Atom
Baseden, Kyle A.; Tye, Jesse W.
2014-01-01
Density functional theory (DFT) is a type of electronic structure calculation that has rapidly gained popularity. In this article, we provide a step-by-step demonstration of a DFT calculation by hand on the helium atom using Slater's X-Alpha exchange functional on a single Gaussian-type orbital to represent the atomic wave function. This DFT…
Physical essence of the multibody contact-sliding at atomic scale
Han, Xuesong
2014-01-01
Investigation the multibody contact-sliding occurred at atomic discrete contact spot will play an important role in determine the origin of tribology behavior and evaluates the micro-mechanical property of nanomaterials and thus optimizing the design of surface texture. This paper carries out large scale parallel molecular dynamics simulation on contact-sliding at atomic scale to uncover the special physical essence. The research shows that some kind of force field exists between nanodot pair and the interaction can be expressed by the linear combination of exponential function while the effective interaction distance limited in 1 angstrom for nanodot with several tens of nanometer diameter. The variation tendency about the interaction force between nanodot array is almost the same between nanodot pairs and thus the interaction between two nanodot array can be characterized by parallel mechanical spring. Multibody effect which dominates the interaction between atoms or molecules will gradually diminish with the increasing of length scales.
In situ Low-temperature Pair Distribution Function (PDF) Analysis of CH4 and CO2 Hydrates
Cladek, B.; Everett, M.; McDonnell, M.; Tucker, M.; Keffer, D.; Rawn, C.
2017-12-01
Gas hydrates occur in ocean floor and sub-surface permafrost deposits and are stable at moderate to high pressures and low temperatures. They are a clathrate structure composed of hydrogen bonded water cages that accommodate a wide variety of guest molecules. CO2 and CH4 hydrates both crystallize as the cubic sI hydrate and can form a solid solution. Natural gas hydrates are interesting as a potential methane source and for CO2 sequestration. Long-range diffraction studies on gas hydrates give valuable structural information but do not provide a detailed understanding of the disordered gas molecule interactions with the host lattice. In-situ low temperature total scattering experiments combined with pair distribution function (PDF) analysis are used to investigate the gas molecule motions and guest-cage interactions. CO2 and methane hydrates exhibit different decomposition behavior, and CO2 hydrate has a smaller lattice parameter despite it being a relatively larger molecule. Total scattering studies characterizing both the short- and long-range order simultaneously help to elucidate the structural source of these phenomena. Low temperature neutron total scattering data were collected using the Nanoscale Ordered MAterials Diffractometer (NOMAD) beamline at the Spallation Neutron Source (SNS) on CO2 and CH4 hydrates synthesized with D2O. Guest molecule motion within cages and interactions between gases and cages are investigated through the hydrate stability and decomposition regions. Data were collected from 2-80 K at a pressure of 55 mbar on CO2 and CH4 hydrates, and from 80-270 K at 25 bar on CH4 hydrate. The hydrate systems were modeled with classical molecular dynamic (MD) simulations to provide an analysis of the total energy into guest-guest, guest-host and host-host contributions. Combined Reitveld and Reverse Monte Carlo (RMC) structure refinement were used to fit models of the data. This combined modeling and simulation characterizes the effects of CO2 and
Energy Technology Data Exchange (ETDEWEB)
Petkov, Valeri [Central Michigan University, Mt. Pleasant, MI (United States); Prasai, Binay [Central Michigan University, Mt. Pleasant, MI (United States); Shastri, Sarvjit [Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division; Park, Hyun-Uk [Sungkyunkwan University, Suwon (Korea). Department of Chemistry; Kwon, Young-Uk [Sungkyunkwan University, Suwon (Korea). Department of Chemistry; Skumryev, Vassil [Institucio Catalana de Recerca i Estudis Avançats (ICREA), Barcelona (Spain); Universitat Autònoma de Barcelona (Spain). Department of Physics
2017-09-12
Practical applications require the production and usage of metallic nanocrystals (NCs) in large ensembles. Besides, due to their cluster-bulk solid duality, metallic NCs exhibit a large degree of structural diversity. This poses the question as to what atomic-scale basis is to be used when the structure–function relationship for metallic NCs is to be quantified precisely. In this paper, we address the question by studying bi-functional Fe core-Pt skin type NCs optimized for practical applications. In particular, the cluster-like Fe core and skin-like Pt surface of the NCs exhibit superparamagnetic properties and a superb catalytic activity for the oxygen reduction reaction, respectively. We determine the atomic-scale structure of the NCs by non-traditional resonant high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Using the experimental structure data we explain the observed magnetic and catalytic behavior of the NCs in a quantitative manner. Lastly, we demonstrate that NC ensemble-averaged 3D positions of atoms obtained by advanced X-ray scattering techniques are a very proper basis for not only establishing but also quantifying the structure–function relationship for the increasingly complex metallic NCs explored for practical applications.
Weininger, Arthur; Weininger, Susan
2015-01-01
The ability to identify the functional correlates of structural and sequence variation in proteins is a critical capability. We related structures of influenza A N10 and N11 proteins that have no established function to structures of proteins with known function by identifying spatially conserved atoms. We identified atoms with common distributed spatial occupancy in PDB structures of N10 protein, N11 protein, an influenza A neuraminidase, an influenza B neuraminidase, and a bacterial neuraminidase. By superposing these spatially conserved atoms, we aligned the structures and associated molecules. We report spatially and sequence invariant residues in the aligned structures. Spatially invariant residues in the N6 and influenza B neuraminidase active sites were found in previously unidentified spatially equivalent sites in the N10 and N11 proteins. We found the corresponding secondary and tertiary structures of the aligned proteins to be largely identical despite significant sequence divergence. We found structural precedent in known non-neuraminidase structures for residues exhibiting structural and sequence divergence in the aligned structures. In N10 protein, we identified staphylococcal enterotoxin I-like domains. In N11 protein, we identified hepatitis E E2S-like domains, SARS spike protein-like domains, and toxin components shared by alpha-bungarotoxin, staphylococcal enterotoxin I, anthrax lethal factor, clostridium botulinum neurotoxin, and clostridium tetanus toxin. The presence of active site components common to the N6, influenza B, and S. pneumoniae neuraminidases in the N10 and N11 proteins, combined with the absence of apparent neuraminidase function, suggests that the role of neuraminidases in H17N10 and H18N11 emerging influenza A viruses may have changed. The presentation of E2S-like, SARS spike protein-like, or toxin-like domains by the N10 and N11 proteins in these emerging viruses may indicate that H17N10 and H18N11 sialidase-facilitated cell
Multiconfiguration Pair-Density Functional Theory Is Free From Delocalization Error.
Bao, Junwei Lucas; Wang, Ying; He, Xiao; Gagliardi, Laura; Truhlar, Donald G
2017-11-16
Delocalization error has been singled out by Yang and co-workers as the dominant error in Kohn-Sham density functional theory (KS-DFT) with conventional approximate functionals. In this Letter, by computing the vertical first ionization energy for well separated He clusters, we show that multiconfiguration pair-density functional theory (MC-PDFT) is free from delocalization error. To put MC-PDFT in perspective, we also compare it with some Kohn-Sham density functionals, including both traditional and modern functionals. Whereas large delocalization errors are almost universal in KS-DFT (the only exception being the very recent corrected functionals of Yang and co-workers), delocalization error is removed by MC-PDFT, which bodes well for its future as a step forward from KS-DFT.
Wilson, Jeffrey D.; Chaffee, Dalton W.; Wilson, Nathaniel C.; Lekki, John D.; Tokars, Roger P.; Pouch, John J.; Roberts, Tony D.; Battle, Philip; Floyd, Bertram M.; Lind, Alexander J.;
2016-01-01
A high generation rate photon-pair source using a dual element periodically-poled potassium titanyl phosphate (PP KTP) waveguide is described. The fully integrated photon-pair source consists of a 1064-nanometer pump diode laser, fiber-coupled to a dual element waveguide within which a pair of 1064-nanometer photons are up-converted to a single 532-nanometer photon in the first stage. In the second stage, the 532-nanometer photon is down-converted to an entangled photon-pair at 800 nanometer and 1600 nanometer which are fiber-coupled at the waveguide output. The photon-pair source features a high pair generation rate, a compact power-efficient package, and continuous wave (CW) or pulsed operation. This is a significant step towards the long term goal of developing sources for high-rate Quantum Key Distribution (QKD) to enable Earth-space secure communications. Characterization and test results are presented. Details and preliminary results of a laboratory free-space QKD experiment with the B92 protocol are also presented.
Electromagnetic heavy-lepton pair production in relativistic heavy-ion collisions
Energy Technology Data Exchange (ETDEWEB)
Senguel, M.Y. [Atakent Mahallesi, 3. Etap, Halkali-Kuecuekcekmece, Istanbul (Turkey); Gueclue, M.C.; Mercan, Oe.; Karakus, N.G. [istanbul Technical University, Faculty of Science and Letters, Istanbul (Turkey)
2016-08-15
We calculate the cross sections of electromagnetic productions of muon- and tauon-pair productions from the ultra-relativistic heavy ion collisions. Since the Compton wavelengths of muon and tauon are comparable to the radius of the colliding ions, nuclear form factors play important roles for calculating the cross sections. Recent measurement (Abrahamyan et al., Phys Rev Lett 108:112502, 2012) indicates that the neutrons are differently distributed from the protons; therefore this affects the cross section of the heavy-lepton pair production. In order to see the effects of the neutron distributions in the nucleus, we used analytical expression of the Fourier transforms of the Wood-Saxon distribution. Cross section calculations show that the Wood-Saxon distribution function is more sensitive to the parameter R compared to the parameter a. (orig.)
Momentum distributions of selected rare-gas atoms probed by intense femtosecond laser pulses
DEFF Research Database (Denmark)
Abu-Samha, Mahmoud; Madsen, Lars Bojer
2011-01-01
We provide a direct comparison between numerical and experimental (Rudenko et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 L407) photoelectron momentum distributions in strong-field ionization of selected rare-gas atoms (He, Ne and Ar), probed by femtosecond linearly polarized laser pulses. The cal......We provide a direct comparison between numerical and experimental (Rudenko et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 L407) photoelectron momentum distributions in strong-field ionization of selected rare-gas atoms (He, Ne and Ar), probed by femtosecond linearly polarized laser pulses....... The calculations are performed by solving the time-dependent Schrödinger equation within the single-active-electron approximation, and focal-volume effects are taken into account by appropriately averaging the results. The resulting momentum distributions are in quantitative agreement with the experimental...
Lobato, I.; Rojas, J.; Landauro, C. V.; Torres, J.
2008-01-01
The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The interaction of silver atoms is modeled by a tight-binding semiempirical interatomic potential proposed by Cleri and Rosato. The pair correlation functions and the pair analysis technique is applied to reveal the structural transition in the process of solidifica...
Pseudogap phenomena in ultracold atomic Fermi gases
Chen, Qijin; Wang, Jibiao
2014-01-01
The pairing and superfluid phenomena in a two-component ultracold atomic Fermi gas is an analogue of Cooper pairing and superconductivity in an electron system, in particular, the high $T_c$ superconductors. Owing to the various tunable parameters that have been made accessible experimentally in recent years, atomic Fermi gases can be explored as a prototype or quantum simulator of superconductors. It is hoped that, utilizing such an analogy, the study of atomic Fermi gases may shed light to ...
DEFF Research Database (Denmark)
Pedersen, Jens Olaf Pepke
2012-01-01
Formulas are presented for calculating the relative velocity distributions in effusive, orthogonal crossed beams and in effusive, counterpropagating beams experiments, which are two important geometries for the study of collision processes between atoms. In addition formulas for the distributions...
Production of dimeson atoms in high-energy collisions
Energy Technology Data Exchange (ETDEWEB)
Afanasyev, L.; Gevorkyan, S.; Voskresenskaya, O. [Joint Institute for Nuclear Research, Dubna (Russian Federation)
2017-04-15
The production of two-meson electromagnetic bound states and free meson pairs π{sup +}π{sup -}, K{sup +}K{sup -}, π{sup +}K{sup -+} in relativistic collisions has been considered. It is shown that using of exact Coulomb wave functions for dimeson atom (DMA) allows one to calculate the yield of discrete states with the desired accuracy. The relative probabilities of production of DMA and meson pairs in the free state are estimated. The amplitude of DMA transition from 1S to 2P state, which is essential for the pionium Lamb shift measurements, has been obtained. (orig.)
Density-functional theory of atoms and molecules
Parr, Robert G
1995-01-01
Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry.
Distribution of Al atoms in the clathrate-I phase Ba8AlxSi46-x at x = 6.9.
Bobnar, Matej; Böhme, Bodo; Wedel, Michael; Burkhardt, Ulrich; Ormeci, Alim; Prots, Yurii; Drathen, Christina; Liang, Ying; Nguyen, Hong Duong; Baitinger, Michael; Grin, Yuri
2015-07-28
The clathrate-I phase Ba8AlxSi46-x has been structurally characterized at the composition x = 6.9 (space group Pm3[combining macron]n, no. 223, a = 10.4645(2) Å). A crystal structure model comprising the distribution of aluminium and silicon atoms in the clathrate framework was established: 5.7 Al atoms and 0.3 Si atoms occupy the crystallographic site 6c, while 1.2 Al atoms and 22.8 Si atoms occupy site 24k. The atomic distribution was established based on a combination of (27)Al and (29)Si NMR experiments, X-ray single-crystal diffraction and wavelength-dispersive X-ray spectroscopy.
Energy Technology Data Exchange (ETDEWEB)
Pick, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires
1965-06-01
The pair interaction function has been derived for the following metals: Li, Na, K, Al. It is obtained via a second order perturbation expansion of the wave functions of the conduction electrons using a self-consistent pseudo-potential. Exchange and correlations between those electrons have been ignored. Such an interaction is only valid at constant volume and depends on a single experimental parameter, namely the ionic volume. Its main features are a pronounced minimum in the vicinity of the nearest neighbours, especially marked in alkaline metals, and an asymptotic decrease of the form cos(2k{sub F}r)/r{sup 3}. This interaction gives the correct crystalline structure of these metals at 0 K as well as a good approximation of the phonon spectrum of an alkaline. The validity of the perturbation technique is discussed. We prove that the pair interaction function is correctly given to second order in the pseudo-potential despite the various approximations and errors involved by such a method. (author) [French] L'interaction de paire effective entre ions a ete calculee dans les metaux Li, Na, K et Al. Elle est obtenue par un developpement en serie de perturbation des fonctions d'onde des electrons de conduction. Le developpement est pousse au deuxieme ordre et utilise un pseudo-potentiel self-consistant. Les phenomenes d'echange et de correlations entre ces electrons ont ete negliges. L'interaction calculee n'a de sens qu'a volume constant. Elle depend d'un seul parametre experimental, le volume ionique. Elle se caracterise par un minimum prononce de l'energie de paire pour les proches voisins, surtout marque chez les alcalins. Elle decroit asymptotiquement en cos(2k{sub F}r)/r{sup 3}. Elle permet de predire la structure cristalline la plus stable a 0 K; elle donne le spectre de phonons des alcalins avec une assez bonne precision. Par ailleurs, la validite de la methode de perturbation du deuxieme ordre est discutee. On montre qu'elle donne correctement l
Density Functional Theory and Atomic Force Microscopy Study of Oleate Functioned on Siderite Surface
Directory of Open Access Journals (Sweden)
Lixia Li
2018-01-01
Full Text Available Efficiently discovering the interaction of the collector oleate and siderite is of great significance for understanding the inherent function of siderite weakening hematite reverse flotation. For this purpose, investigation of the adsorption behavior of oleate on siderite surface was performed by density functional theory (DFT calculations associating with atomic force microscopy (AFM imaging. The siderite crystal geometry was computationally optimized via convergence tests. Calculated results of the interaction energy and the Mulliken population verified that the collector oleate adsorbed on siderite surface and the covalent bond was established as a result of electrons transferring from O1 atoms (in oleate molecule to Fe1 atoms (in siderite lattice. Therefore, valence-electrons’ configurations of Fe1 and O1 changed into 3d6.514s0.37 and 2s1.832p4.73 from 3d6.214s0.31 and 2s1.83p4.88 correspondingly. Siderite surfaces with or without oleate functioned were examined with the aid of AFM imaging in PeakForce Tapping mode, and the functioned siderite surface was found to be covered by vesicular membrane matters with the average roughness of 16.4 nm assuring the oleate adsorption. These results contributed to comprehending the interaction of oleate and siderite.
Energy Technology Data Exchange (ETDEWEB)
Ackermann, M. [Deutsches Elektronen Synchrotron DESY, D-15738 Zeuthen (Germany); Ajello, M.; Allafort, A.; Bechtol, K.; Bloom, E. D.; Borgland, A. W.; Bottacini, E.; Buehler, R. [W. W. Hansen Experimental Physics Laboratory, Kavli Institute for Particle Astrophysics and Cosmology, Department of Physics and SLAC National Accelerator Laboratory, Stanford University, Stanford, CA 94305 (United States); Asano, K. [Interactive Research Center of Science, Tokyo Institute of Technology, Meguro City, Tokyo 152-8551 (Japan); Atwood, W. B. [Santa Cruz Institute for Particle Physics, Department of Physics and Department of Astronomy and Astrophysics, University of California at Santa Cruz, Santa Cruz, CA 95064 (United States); Baldini, L.; Bellazzini, R.; Bregeon, J. [Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, I-56127 Pisa (Italy); Ballet, J. [Laboratoire AIM, CEA-IRFU/CNRS/Universite Paris Diderot, Service d' Astrophysique, CEA Saclay, F-91191 Gif sur Yvette (France); Barbiellini, G. [Istituto Nazionale di Fisica Nucleare, Sezione di Trieste, I-34127 Trieste (Italy); Bastieri, D. [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, I-35131 Padova (Italy); Bonamente, E. [Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, I-06123 Perugia (Italy); Brandt, T. J. [CNRS, IRAP, F-31028 Toulouse cedex 4 (France); Brigida, M. [Dipartimento di Fisica ' M. Merlin' dell' Universita e del Politecnico di Bari, I-70126 Bari (Italy); Bruel, P., E-mail: mdwood@slac.stanford.edu, E-mail: mar0@uw.edu [Laboratoire Leprince-Ringuet, Ecole polytechnique, CNRS/IN2P3, F-91128 Palaiseau (France); and others
2013-03-01
The Large Area Telescope (LAT) on the Fermi Gamma-ray Space Telescope is a pair-conversion telescope designed to detect photons with energies from Almost-Equal-To 20 MeV to >300 GeV. The pre-launch response functions of the LAT were determined through extensive Monte Carlo simulations and beam tests. The point-spread function (PSF) characterizing the angular distribution of reconstructed photons as a function of energy and geometry in the detector is determined here from two years of on-orbit data by examining the distributions of {gamma} rays from pulsars and active galactic nuclei (AGNs). Above 3 GeV, the PSF is found to be broader than the pre-launch PSF. We checked for dependence of the PSF on the class of {gamma}-ray source and observation epoch and found none. We also investigated several possible spatial models for pair-halo emission around BL Lac AGNs. We found no evidence for a component with spatial extension larger than the PSF and set upper limits on the amplitude of halo emission in stacked images of low- and high-redshift BL Lac AGNs and the TeV blazars 1ES0229+200 and 1ES0347-121.
Distribution of radiation lifetime and oscillator strengths in atomic and ion spectra
Energy Technology Data Exchange (ETDEWEB)
Shabanova, L.N.; Gruzdev, P.F.; Verolajnen, Ya.F. (Leningradskij Gosudarstvennyj Univ. (USSR). Nauchno-Issledovatel' skij Fizicheskij Inst.)
1984-04-01
Analysis of present experimental and theoretical data on determination of radiation life time and forces of oscillators for disclosing general regularities inherent in radiation constants inside the atom, homologous atoms inside subgroups of atoms and ions of isoelectronic subsequences is conducted. Another purpose is to chose most reliable values of constants and to obtain extrapolation formulae for their determination on the base of the corresponding statistical processing data and revealed regularities. A hydrogen atom, isoelectronic series NaI-Ni18, isoelectronic series Ne, He, ZnI, CdI are considered. Systematics of radiation life time depending on the basic quantum number is presented. The force of oscillators f is considered on the example of an atomic system with one valent electron outside the locked shell - Li, Na, K, Rb, Cs. Distribution of force density of the oscillator df/dE is considered, here continuous spectrum near the threshold of ionization is regarded simultaneously with discrete spectrum. An interpolation formula for the number f for high members of atom series (n>=10) of alkaline metals is presented. Values of coefficients included in this formula are tabulated.
Hannibal, Darcy L; Cassidy, Lauren C; Vandeleest, Jessica; Semple, Stuart; Barnard, Allison; Chun, Katie; Winkler, Sasha; McCowan, Brenda
2018-05-02
Laboratory rhesus macaques are often housed in pairs and may be temporarily or permanently separated for research, health, or management reasons. While both long-term social separations and introductions can stimulate a stress response that impacts inflammation and immune function, the effects of short-term overnight separations and whether qualities of the pair relationship mediate these effects are unknown. In this study, we investigated the effects of overnight separations on the urinary cortisol concentration of 20 differentially paired adult female rhesus macaques (Macaca mulatta) at the California National Primate Research Center. These females were initially kept in either continuous (no overnight separation) or intermittent (with overnight separation) pair-housing and then switched to the alternate pair-housing condition part way through the study. Each study subject was observed for 5 weeks, during which we collected measures of affiliative, aggressive, anxious, abnormal, and activity-state behaviors in both pair-housing conditions. Additionally, up to three urine samples were collected from each subject per week and assayed for urinary free cortisol and creatinine. Lastly, the behavioral observer scored each pair on four relationship quality attributes ("Anxious," "Tense," "Well-meshed," and "Friendly") using a seven-point scale. Data were analyzed using a generalized linear model with gamma distribution and an information theoretic approach to determine the best model set. An interaction between the intermittent pairing condition and tense pair adjective rating was in the top three models of the best model set. Dominance and rates of affiliation were also important for explaining urinary cortisol variation. Our results suggest that to prevent significant changes in HPA-axis activation in rhesus macaque females, which could have unintended effects on research outcomes, pairs with "Tense" relationships and overnight separations preventing tactile contact
Association of atoms into universal dimers using an oscillating magnetic field.
Langmack, Christian; Smith, D Hudson; Braaten, Eric
2015-03-13
In a system of ultracold atoms near a Feshbach resonance, pairs of atoms can be associated into universal dimers by an oscillating magnetic field with a frequency near that determined by the dimer binding energy. We present a simple expression for the transition rate that takes into account many-body effects through a transition matrix element of the contact. In a thermal gas, the width of the peak in the transition rate as a function of the frequency is determined by the temperature. In a dilute Bose-Einstein condensate of atoms, the width is determined by the inelastic scattering rates of a dimer with zero-energy atoms. Near an atom-dimer resonance, there is a dramatic increase in the width from inelastic atom-dimer scattering and from atom-atom-dimer recombination. The recombination contribution provides a signature for universal tetramers that are Efimov states consisting of two atoms and a dimer.
Biotin-dependent functions in adiposity: a study of monozygotic twin pairs.
Järvinen, E; Ismail, K; Muniandy, M; Bogl, L H; Heinonen, S; Tummers, M; Miettinen, S; Kaprio, J; Rissanen, A; Ollikainen, M; Pietiläinen, K H
2016-05-01
Biotin acts as a coenzyme for carboxylases regulating lipid and amino-acid metabolism. We investigated alterations of the biotin-dependent functions in obesity and the downstream effects of biotin restriction in adipocytes in vitro. Twenty-four monozygotic twin pairs discordant for body mass index (BMI). Mean within-pair difference (heavy-lean co-twin, Δ) of BMI was 6.0 kg m(-2) (range 3.1-15.2 kg m(-)(2)). Adipose tissue (AT) DNA methylation, gene expression of AT and adipocytes, and leukocytes (real-time quantitative PCR), serum biotin, C-reactive protein (CRP) and triglycerides were measured in the twins. Human adipocytes were cultured in low and control biotin concentrations and analyzed for lipid droplet content, mitochondrial morphology and mitochondrial respiration. The gene expression levels of carboxylases, PCCB and MCCC1, were upregulated in the heavier co-twins' leukocytes. ΔPCCB (r=0.91, P=0.0046) and ΔMCCC1 (r=0.79, P=0.036) correlated with ΔCRP within-pairs. Serum biotin levels were lower in the heavier (274 ng l(-1)) than in the lean co-twins (390 ng l(-1), P=0.034). ΔBiotin correlated negatively with Δtriglycerides (r=-0.56, P=0.045) within-pairs. In AT, HLCS and ACACB were hypermethylated and biotin cycle genes HLCS and BTD were downregulated (PBiotin-dependent carboxylases were downregulated (ACACA, ACACB, PCCB, MCCC2 and PC; Pbiotin had decreased lipid accumulation, altered mitochondrial morphology and deficient mitochondrial respiration. Biotin-dependent functions are modified by adiposity independent of genetic effects, and correlate with inflammation and hypertriglyceridemia. Biotin restriction decreases lipid accumulation and respiration, and alters mitochondrial morphology in adipocytes.
N-representability of the Jastrow wave function pair density of the lowest-order.
Higuchi, Katsuhiko; Higuchi, Masahiko
2017-08-08
Conditions for the N-representability of the pair density (PD) are needed for the development of the PD functional theory. We derive sufficient conditions for the N-representability of the PD that is calculated from the Jastrow wave function within the lowest order. These conditions are used as the constraints on the correlation function of the Jastrow wave function. A concrete procedure to search the suitable correlation function is also presented.
Multivariable hypergeometric functions for ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Gasaneo, G.; Colavecchia, F.D.; Garibotti, C.R
1999-06-03
In this work we present a correlated wave function for a three-body continuum Coulomb problem. This state is described by the two-variables PHI{sub 2} hypergeometric function. We examine the properties of this function and their differences with previous uncorrelated models. The PHI{sub 2} wave function can be considered as a final state of ion-atom ionizing collisions, giving rise to both undistorted (Born-PHI{sub 2}) and distorted (EIS-PHI{sub 2}) models. We obtain double differential cross sections with the Born-PHI{sub 2} theory for proton-helium collisions in the intermediate to high energy regime. They exhibit all the main features of the electronic emission process and agree with the experimental data.
LABORATORY FREQUENCY REDISTRIBUTION FUNCTION FOR THE POLARIZED Λ-TYPE THREE-TERM ATOM
Energy Technology Data Exchange (ETDEWEB)
Casini, R. [High Altitude Observatory, National Center for Atmospheric Research, P.O. Box 3000, Boulder, CO 80307-3000 (United States); Manso Sainz, R. [Max Planck Institute for Solar System Research, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany)
2016-12-20
We present the frequency redistribution function for a polarized three-term atom of the Λ-type in the collisionless regime, and we specialize it to the case where both the initial and final terms of the three-state transition are metastable (i.e., with infinitely sharp levels). This redistribution function represents a generalization of the well-known R {sub II} function to the case where the lower terms of the transition can be polarized and carry atomic coherence, and it can be applied to the investigation of polarized line formation in tenuous plasmas, where collisional rates may be low enough that anisotropy-induced atomic polarization survives even in the case of metastable levels.
Separation of photo-induced radical pair in cryptochrome to a functionally critical distance
DEFF Research Database (Denmark)
Solov'yov, Ilia; Domratcheva, Tatiana; Schulten, Klaus
2014-01-01
Cryptochrome is a blue light receptor that acts as a sensor for the geomagnetic field and assists many animals in long-range navigation. The magnetoreceptor function arises from light-induced formation of a radical pair through electron transfer between a flavin cofactor (FAD) and a triad...... of tryptophan residues. Here, this electron transfer is investigated by quantum chemical and classical molecular dynamics calculations. The results reveal how sequential electron transfer, assisted by rearrangement of polar side groups in the cryptochrome interior, can yield a FAD-Trp radical pair state...... step can overcome in speed both recombination (electron back-transfer) and proton transfer involving the radical pair reached after primary electron transfer....
Ion beam focusing by the atomic chains of a crystal lattice
International Nuclear Information System (INIS)
Shulga, V.I.
1975-01-01
A study is made of the focusing of a parallel ion beam by a pair of close packed atomic chains of a crystal. The focal length of this system has been calculated to the approximation of continuous potential of chain in the general form and also for a number of specific potentials of ion-atom interactions. Ar ion beam focusing by a Cu chain pair is discusssed in detail. For this case, the focal length has been calculated as a function of ion energy using the method of computer simulation of ion trajectories in the chain field. The calculations were made on the basis of the Born-Mayer potential with various constants. A pronounced dependence of focal length on the constant in this potential has been found. (author)
Directory of Open Access Journals (Sweden)
Kai Yan
2015-01-01
Full Text Available A predictive model for droplet size and velocity distributions of a pressure swirl atomizer has been proposed based on the maximum entropy formalism (MEF. The constraint conditions of the MEF model include the conservation laws of mass, momentum, and energy. The effects of liquid swirling strength, Weber number, gas-to-liquid axial velocity ratio and gas-to-liquid density ratio on the droplet size and velocity distributions of a pressure swirl atomizer are investigated. Results show that model based on maximum entropy formalism works well to predict droplet size and velocity distributions under different spray conditions. Liquid swirling strength, Weber number, gas-to-liquid axial velocity ratio and gas-to-liquid density ratio have different effects on droplet size and velocity distributions of a pressure swirl atomizer.
Yadav, Sushma; Chandra, Amalendu
2017-12-01
We have investigated the characteristics of preferential solvation of ions, structure of solvation shells, ion pairing, and dynamics of aqueous solutions of divalent alkaline-earth metal nitrate salts at varying concentration by means of molecular dynamics simulations. Hydration shell structures and the extent of preferential solvation of the metal and nitrate ions in the solutions are investigated through calculations of radial distribution functions, tetrahedral ordering, and also spatial distribution functions. The Mg2+ ions are found to form solvent separated ion-pairs while the Ca2+ and Sr2+ ions form contact ion pairs with the nitrate ions. These findings are further corroborated by excess coordination numbers calculated through Kirkwood-Buff G factors for different ion-ion and ion-water pairs. The ion-pairing propensity is found to be in the order of Mg(NO3) 2 lead to the presence of substantial dynamical heterogeneity in these solutions of strongly interacting ions. The current study helps us to understand the molecular details of hydration structure, ion pairing, and dynamics of water in the solvation shells and also of ion diffusion in aqueous solutions of divalent metal nitrate salts.
Chawla, Mohit
2013-10-10
The G:C reverse Watson-Crick (W:W trans) base pair, also known as Levitt base pair in the context of tRNAs, is a structurally and functionally important base pair that contributes to tertiary interactions joining distant domains in functional RNA molecules and also participates in metabolite binding in riboswitches. We previously indicated that the isolated G:C W:W trans base pair is a rather unstable geometry, and that dicationic metal binding to the Guanine base or posttranscriptional modification of the Guanine can increase its stability. Herein, we extend our survey and report on other H-bonding interactions that can increase the stability of this base pair. To this aim, we performed a bioinformatics search of the PDB to locate all the occurencies of G:C trans base pairs. Interestingly, 66% of the G:C trans base pairs in the PDB are engaged in additional H-bonding interactions with other bases, the RNA backbone or structured water molecules. High level quantum mechanical calculations on a data set of representative crystal structures were performed to shed light on the structural stability and energetics of the various crystallographic motifs. This analysis was extended to the binding of the preQ1 metabolite to a preQ1-II riboswitch. 2013 The Author(s).
Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study
Energy Technology Data Exchange (ETDEWEB)
Xiong, L H; Lou, H B; Wang, X D; Debela, T T; Cao, Q P; Zhang, D X; Wang, S Y; Wang, C Z; Jiang, J Z
2014-04-01
The local atomic structure evolution in Al2Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt-Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al2Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of < 0,4,4,0 >, < 0,3, 6,0 > and < 0,4,4,2 > with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF2-type Al2Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al2Au alloy. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Wang, Hsiu-Wen; Fanelli, Victor R.; Reiche, Helmut M.; Larson, Eric; Taylor, Mark A.; Siewenie, Joan [Lujan Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Xu, Hongwu [Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Zhu, Jinlong [High Pressure Science and Engineering Center, Department of Physics and Astronomy, The University of Nevada, Las Vegas, Nevada 89154, USA and National Lab for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Page, Katharine, E-mail: pagekl@ornl.gov [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
2014-12-15
This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO{sub 2} measurements. The new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO{sub 2} sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H{sub 2} and natural gas uptake/storage.
Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study
International Nuclear Information System (INIS)
Xiong, L.H.; Lou, H.B.; Wang, X.D.; Debela, T.T.; Cao, Q.P.; Zhang, D.X.; Wang, S.Y.; Wang, C.Z.; Jiang, J.Z.
2014-01-01
The local atomic structure evolution in Al 2 Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt–Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al 2 Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of 〈0, 4, 4, 0〉, 〈0, 3, 6, 0〉 and 〈0, 4, 4, 2〉 with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF 2 -type Al 2 Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al 2 Au alloy
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
Differential cross sections for top pair production at the LHC
International Nuclear Information System (INIS)
Guzzi, Marco; Lipka, Katerina; Moch, Sven-Olaf; Hamburg Univ.
2014-09-01
We present results of phenomenological studies for top-quark pair production at the LHC at the center of mass energy √(S)=7 TeV. The transverse momentum and rapidity distributions for final-state top quarks are calculated in perturbative QCD at approximate next-to-next-to-leading order O(α s 4 ) by using methods of threshold resummation beyond the leading logarithmic accuracy. The theoretical predictions are obtained by using the computer code DIFFTOP and are compared to recent measurements by the ATLAS and CMS collaborations. DIFFTOP can be employed in the general case of heavy-quark pair production at hadron-hadron colliders and provides a basis for applications in QCD analyses for parton distribution functions determination.
International Nuclear Information System (INIS)
Hircq, Bernard.
1976-06-01
After the description of the absorption cell the principal parameters are studied: argon flow rate in the cell, atomization temperature, cell geometry etc. The technique is applied to the measurement of impurities in uranium after deposition on a carbon filament. The atomic concentration distribution and the dimensions of the cloud generated by a graphite filament are then studied along the axes parallel to the filament and as a function of the various experimental parameters. From the determination of the cloud elevation rate it is possible to calculate the absolute atomic concentration, which allows certain physical quantities to be evaluated: oscillator force, Lorentz Widening, diffusion coefficient... The size and penetration depth of the deposit are then determined with an ionic microprobe and the distribution with a Castaing microprobe. The chemical transformations undergone by the uranium matrix during the heat cycles are studied by the X-ray method [fr
Semiclassical neutral atom as a reference system in density functional theory.
Constantin, Lucian A; Fabiano, E; Laricchia, S; Della Sala, F
2011-05-06
We use the asymptotic expansions of the semiclassical neutral atom as a reference system in density functional theory to construct accurate generalized gradient approximations (GGAs) for the exchange-correlation and kinetic energies without any empiricism. These asymptotic functionals are among the most accurate GGAs for molecular systems, perform well for solid state, and overcome current GGA state of the art in frozen density embedding calculations. Our results also provide evidence for the conjointness conjecture between exchange and kinetic energies of atomic systems.
Ultracold atoms and the Functional Renormalization Group
International Nuclear Information System (INIS)
Boettcher, Igor; Pawlowski, Jan M.; Diehl, Sebastian
2012-01-01
We give a self-contained introduction to the physics of ultracold atoms using functional integral techniques. Based on a consideration of the relevant length scales, we derive the universal effective low energy Hamiltonian describing ultracold alkali atoms. We then introduce the concept of the effective action, which generalizes the classical action principle to full quantum status and provides an intuitive and versatile tool for practical calculations. This framework is applied to weakly interacting degenerate bosons and fermions in the spatial continuum. In particular, we discuss the related BEC and BCS quantum condensation mechanisms. We then turn to the BCS-BEC crossover, which interpolates between both phenomena, and which is realized experimentally in the vicinity of a Feshbach resonance. For its description, we introduce the Functional Renormalization Group approach. After a general discussion of the method in the cold atoms context, we present a detailed and pedagogical application to the crossover problem. This not only provides the physical mechanism underlying this phenomenon. More generally, it also reveals how the renormalization group can be used as a tool to capture physics at all scales, from few-body scattering on microscopic scales, through the finite temperature phase diagram governed by many-body length scales, up to critical phenomena dictating long distance physics at the phase transition. The presentation aims to equip students at the beginning PhD level with knowledge on key physical phenomena and flexible tools for their description, and should enable to embark upon practical calculations in this field.
Nimalasuriya, T.; Flikweert, A.J.; Stoffels, W.W.; Haverlag, M.; Mullen, van der J.J.A.M.; Pupat, N.B.M.
2006-01-01
Absolute line intensity measurements are performed on a metal-halide lamp. Several transitions of atomic and ionic Dy and atomic Hg are measured at different radial positions from which we obtain absolute atomic and ionic Dy intensity profiles. From these profiles we construct the radially resolved
Multi-functional magnesium alloys containing interstitial oxygen atoms.
Kang, H; Choi, H J; Kang, S W; Shin, S E; Choi, G S; Bae, D H
2016-03-15
A new class of magnesium alloys has been developed by dissolving large amounts of oxygen atoms into a magnesium lattice (Mg-O alloys). The oxygen atoms are supplied by decomposing titanium dioxide nanoparticles in a magnesium melt at 720 °C; the titanium is then completely separated out from the magnesium melt after solidification. The dissolved oxygen atoms are located at the octahedral sites of magnesium, which expand the magnesium lattice. These alloys possess ionic and metallic bonding characteristics, providing outstanding mechanical and functional properties. A Mg-O-Al casting alloy made in this fashion shows superior mechanical performance, chemical resistance to corrosion, and thermal conductivity. Furthermore, a similar Mg-O-Zn wrought alloy shows high elongation to failure (>50%) at room temperature, because the alloy plastically deforms with only multiple slips in the sub-micrometer grains (alloys are expected to open a new paradigm in commercial alloy design.
Toward a Rigorous Definition of a Strength of Any Interaction Between Bader's Atomic Basins.
Ananyev, Ivan V; Karnoukhova, Valentina A; Dmitrienko, Artem O; Lyssenko, Konstantin A
2017-06-15
Strength of interaction between Bader's atomic basins, enclosed by zero-flux surfaces of electron distribution, was proposed to be a measure of elastic deformation of an interaction. The set containing 53 atomic aggregate and covering all range of interaction strength (from van der Waals interactions to triple covalent bonds) was calculated by DFT and perturbation theory methods. Further analysis was performed to seek correlations between various local quantities based on electron density and effective force constants of stretching diatomic vibrations. The linear trend between effective force constants and the potential energy density at the (3, -1) critical point of electron distribution was found. This correlation was improved by the integration of the potential energy density over an interbasin zero-flux surface of electron density. Simple mechanical explanation of established trends is presented. The correlations can be further used to at least semiquantitatively compare any pair of interactions between Bader's atomic basins.
Scaling function, spectral function and nucleon momentum distribution in nuclei
International Nuclear Information System (INIS)
Antonov, A.N.; Ivanov, M.V.; Caballero, J.A.; Barbaro, M.B.; Udias, J.M.; Moya de Guerra, E.; Donnelly, T.W.
2010-01-01
The aim of the study is to find a good simultaneous description of the spectral function and the momentum distribution in relation to the realistic scaling function obtained from inclusive electron-nuclei scattering experiments. We start with a modified Hartree-Fock spectral function in which the energy dependent part (δ-function) is replaced by the Gaussian distributions with hole state widths as free parameters. We calculate the scaling function and the nucleon momentum distribution on the basis of the spectral function constructed in this way, trying to find a good description of the experimental data. The obtained scaling function has a weak asymmetry and the momentum distribution has not got a high-momentum tail in the case when harmonic-oscillator single-particle wave functions are used. So, to improve the behavior of the momentum distribution we used the basis of natural orbitals (NO) in which short-range correlations are partly incorporated. The results for the scaling function show again a weak asymmetry, but in this case the momentum distribution has a high-momentum tail. As a next step we include final-state interactions (FSI) in the calculations to reproduce the experimentally observed asymmetry of the scaling function. (author)
Correlation function distributions in rapidity for pairs of π mesons in K-p interactions at 32 GeV/c
International Nuclear Information System (INIS)
Bumazhnov, V.A.; Babintsev, V.V.; Bogolyubskij, M.Yu.
1983-01-01
The inclusive and semiinclusiVe distributions of correlation functions in K - p-interactions at 32 GeV/c are presented as functions of rapidity. The positive short range correlations among rapidities of two charged pions reach maximUm in fragmentation ranges of incoming hadrons. The correlations become central and increase with rising of transverse momentum. Maximum values of correlations in the π + π - and π - π - systems oc in the region of negative and positive values of rasidity
Differential bremsstrahlung and pair production cross sections at high energies
International Nuclear Information System (INIS)
Olsen, Haakon A.
2003-01-01
Detailed differential cross sections for high energy bremsstrahlung and pair production are derived with specific attention to the differences between the two processes, which are considerable. For the integrated cross sections, which are the only cross sections specifically known until now, the final state integration theorem guarantees that the exact cross section formulas can be exchanged between bremsstrahlung and pair production by the same substitution rules as for the Born-approximation Bethe-Heitler cross sections, for any amount of atomic screening. In fact the theorem states that the Coulomb corrections to the integrated bremsstrahlung and pair production cross sections are identical for any amount of screening. The analysis of the basic differential cross sections leads to fundamental physical differences between bremsstrahlung and pair production. Coulomb corrections occur for pair production in the strong electric field of the atom for 'large' momentum transfer of the order of mc. For bremsstrahlung, on the other hand, the Coulomb corrections take place at a 'large' distance from the atom of the order of ((ℎ/2π)/mc)ε, with a 'small' momentum transfer mc/ε, where ε is the initial electron energy in units of mc 2 . And the Coulomb corrections can be large, of the order of larger than (Z/137) 2 , which is considerably larger than the integrated cross section corrections
Directory of Open Access Journals (Sweden)
Zaremba Matouš
2015-01-01
Full Text Available Twin-fluid atomizers underwent a significant development during the last few decades. They are common in many industrial applications such as fuel spraying, melt atomization and food processing. This paper is focused on the evaluation of four different twin-fluid atomizers. The aim is to compare the quality of sprays generated by various atomizers with similar dimensions and in the same operating regimes. A phase- Doppler anemometry (PDA and particle image velocimetry (PIV were used to measure spray characteristics such as velocity and size of the droplets. Measured data were used to compare droplet size distribution and to evaluate steadiness of the spray. Visualisations were made to support measured data and to clarify the principles of primary atomization and its influence on the spray.
Zaremba, Matouš; Mlkvik, Marek; Malý, Milan; Jedelský, Jan; Jícha, Miroslav
2015-05-01
Twin-fluid atomizers underwent a significant development during the last few decades. They are common in many industrial applications such as fuel spraying, melt atomization and food processing. This paper is focused on the evaluation of four different twin-fluid atomizers. The aim is to compare the quality of sprays generated by various atomizers with similar dimensions and in the same operating regimes. A phase- Doppler anemometry (PDA) and particle image velocimetry (PIV) were used to measure spray characteristics such as velocity and size of the droplets. Measured data were used to compare droplet size distribution and to evaluate steadiness of the spray. Visualisations were made to support measured data and to clarify the principles of primary atomization and its influence on the spray.
International Nuclear Information System (INIS)
Levashov, V. A.
2016-01-01
It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids’ structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectors of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ 1 ≥ λ 2 ≥ λ 3 ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ 2 /λ 1 ) and (λ 3 /λ 2 ) are essentially identical to each other in the liquids state. We also found that λ 2 tends to be equal to the geometric average of λ 1 and λ 3 . In our view, correlations between the eigenvalues may represent “the Poisson ratio effect” at the atomic scale.
Energy Technology Data Exchange (ETDEWEB)
Levashov, V. A. [Technological Design Institute of Scientific Instrument Engineering, Novosibirsk 630058 (Russian Federation)
2016-03-07
It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids’ structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectors of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ{sub 1} ≥ λ{sub 2} ≥ λ{sub 3} ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ{sub 2}/λ{sub 1}) and (λ{sub 3}/λ{sub 2}) are essentially identical to each other in the liquids state. We also found that λ{sub 2} tends to be equal to the geometric average of λ{sub 1} and λ{sub 3}. In our view, correlations between the eigenvalues may represent “the Poisson ratio effect” at the atomic scale.
Directory of Open Access Journals (Sweden)
Qing-Sheng Yang
2014-01-01
Full Text Available This investigation focuses on the design of functionalization configuration at the atomic level to determine the influence of atomic structure on the mechanical properties of functionalized carbon nanotubes (F-CNTs and their composites. Tension and compressive buckling behaviors of different configurations of CNTs functionalized by H atoms are studied by a molecular dynamics (MD method. It is shown that H-atom functionalization reduces Young’s modulus of CNTs, but Young’s modulus is not sensitive to the functionalization configuration. The configuration does, however, affect the tensile strength and critical buckling stress of CNTs. Further, the stress-strain relations of composites reinforced by nonfunctionalized and various functionalized CNTs are analyzed.
Qi, Xuejun; Song, Wenwu; Shi, Jianwei
2017-01-01
Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.
First-principles study of Frenkel pair recombination in tungsten
International Nuclear Information System (INIS)
Qin, Shi-Yao; Jin, Shuo; Li, Yu-Hao; Zhou, Hong-Bo; Zhang, Ying; Lu, Guang-Hong
2017-01-01
The recombination of one Frenkel pair in tungsten has been investigated through first-principles simulation. Two different recombination types have been identified: instantaneous and thermally activated. The small recombination barriers for thermally activated recombination cases indicate that recombination can occur easily with a slightly increased temperature. For both of the two recombination types, recombination occurs through the self-interstitial atom moving towards the vacancy. The recombination process can be direct or through replacement sequences, depending on the vertical distance between the vacancy and the 〈1 1 1〉 line of self-interstitial atom pair.
Directory of Open Access Journals (Sweden)
Rie Kawai
2012-03-01
Full Text Available Toward the expansion of the genetic alphabet, an unnatural base pair between 7-(2-thienylimidazo[4,5-b]pyridine (Ds and pyrrole-2-carbaldehyde (Pa functions as a third base pair in replication and transcription, and provides a useful tool for the site-specific, enzymatic incorporation of functional components into nucleic acids. We have synthesized several modified-Pa substrates, such as alkylamino-, biotin-, TAMRA-, FAM-, and digoxigenin-linked PaTPs, and examined their transcription by T7 RNA polymerase using Ds-containing DNA templates with various sequences. The Pa substrates modified with relatively small functional groups, such as alkylamino and biotin, were efficiently incorporated into RNA transcripts at the internal positions, except for those less than 10 bases from the 3′-terminus. We found that the efficient incorporation into a position close to the 3′-terminus of a transcript depended on the natural base contexts neighboring the unnatural base, and that pyrimidine-Ds-pyrimidine sequences in templates were generally favorable, relative to purine-Ds-purine sequences. The unnatural base pair transcription system provides a method for the site-specific functionalization of large RNA molecules.
Li, Yan; Harbola, Manoj K.; Krieger, J. B.; Sahni, Viraht
1989-11-01
The exchange-correlation potential of the Kohn-Sham density-functional theory has recently been interpreted as the work required to move an electron against the electric field of its Fermi-Coulomb hole charge distribution. In this paper we present self-consistent results for ground-state total energies and highest occupied eigenvalues of closed subshell atoms as obtained by this formalism in the exchange-only approximation. The total energies, which are an upper bound, lie within 50 ppm of Hartree-Fock theory for atoms heavier than Be. The highest occupied eigenvalues, as a consequence of this interpretation, approximate well the experimental ionization potentials. In addition, the self-consistently calculated exchange potentials are very close to those of Talman and co-workers [J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); K. Aashamar, T. M. Luke, and J. D. Talman, At. Data Nucl. Data Tables 22, 443 (1978)].
Directory of Open Access Journals (Sweden)
Georgios S.E. Antipas
2015-06-01
Full Text Available The quantum state of functional avidity of the synapse formed between a peptide-Major Histocompatibility Complex (pMHC and a T cell receptor (TCR is a subject not previously touched upon. Here we present atomic pair correlation meta-data based on crystalized tertiary structures of the Tax (HTLV-1 peptide along with three artificially altered variants, all of which were presented by the (Class I HLA-A201 protein in complexation with the human (CD8+ A6TCR. The meta-data reveal the existence of a direct relationship between pMHC-TCR functional avidity (agonist/antagonist and peptide pair distribution function (PDF. In this context, antagonist peptides are consistently under-coordinated in respect to Tax. Moreover, Density Functional Theory (DFT datasets in the BLYP/TZ2P level of theory resulting from relaxation of the H species on peptide tertiary structures reveal that the coordination requirement of agonist peptides is also expressed as a physical observable of the protonation state of their N termini: agonistic peptides are always found to retain a stable ammonium (NH3+ terminal group while antagonist peptides are not.
Wang, Qinghua; Ri, Shien; Tsuda, Hiroshi; Kodera, Masako; Suguro, Kyoichi; Miyashita, Naoto
2017-09-19
Quantitative detection of defects in atomic structures is of great significance to evaluating product quality and exploring quality improvement process. In this study, a Fourier transform filtered sampling Moire technique was proposed to visualize and detect defects in atomic arrays in a large field of view. Defect distributions, defect numbers and defect densities could be visually and quantitatively determined from a single atomic structure image at low cost. The effectiveness of the proposed technique was verified from numerical simulations. As an application, the dislocation distributions in a GaN/AlGaN atomic structure in two directions were magnified and displayed in Moire phase maps, and defect locations and densities were detected automatically. The proposed technique is able to provide valuable references to material scientists and engineers by checking the effect of various treatments for defect reduction. © 2017 IOP Publishing Ltd.
Energy Technology Data Exchange (ETDEWEB)
Uchitomi, Naotaka, E-mail: uchitomi@nagaokaut.ac.jp; Inoue, Hiroaki; Kato, Takahiro; Toyota, Hideyuki [Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan); Uchida, Hiroshi [Toshiba Nanoanalysis Corporation, 8 Shinsugita-cho, Isogo-ku, Yokohama 235-8522 (Japan)
2015-05-07
Atomic-scale Mn distributions in ferromagnetic ZnSnAs{sub 2}:Mn thin films grown on InP substrates have been studied by applying three-dimensional atom probe (3DAP) microscopy. It is found that Mn atoms in cross-sectional 3DAP maps show the presence of inhomogeneities in Mn distribution, which is characteristic patterns of a spinoidal decomposition phase with slightly high and low concentration regions. The high Mn concentration regions are expected to be coherently clustered MnAs in the zinc-blende structure, resulting in the formation of Mn-As random connecting patterns. The origin of room-temperature ferromagnetism in ZnSnAs{sub 2}:Mn on InP can be well explained by the formation of atomic-scale magnetic clustering by spinoidal decomposition without breaking the continuity of the zinc-blende structure, which has been suggested by previous theoretical works. The lattice-matching between magnetic epi-layers and substrates should be one of the most important factors to avoid the formation of secondary hexagonal MnAs phase precipitates in preparing ferromagnetic semiconductor thin films.
Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation
Ahmad, Sohail; Miró, Pere; Audiffred, Martha; Heine, Thomas
2018-04-01
The deposition, intercalation and co-intercalation of heavy alkali metals and light halogens atoms in graphene mono- and bilayers have been studied using first principles density-functional calculations. Both the deposition and the intercalation of alkali metals gives rise to n-type doping due to the formation of M+-C- pairs. The co-intercalation of a 1:1 ratio of alkali metals and halogens derives into the formation of ionic pairs among the intercalated species, unaltering the electronic structure of the layered material.
International Nuclear Information System (INIS)
Morfin, J.G.
1990-08-01
Following is a brief summary of the results of an analysis of experimental data performed to extract the patron distribution functions. In contrast to other global analyses, this study investigated how the fit results depend on: Experimental Systematic Errors; Kinematic Cuts on the Analyzed Data and Choice of Initial Functional Forms, with a prime goal being a close look at the range of low-x behavior allowed by data. This is crucial for predictions for the SSC/LHC, HERA, and even at Tevatron Collider energies. Since all details can be found in the just released Fermilab preprint Parton Distributions from a Global QCD Analysis of Deep Inelastic Scattering and Lepton-Pair Production by J. G. M. and Wu-Ki Tung, this summary will be only a brief outline of major results. 11 refs., 13 figs
International Nuclear Information System (INIS)
Liu, S.M.; Rodgers, W.E.; Knuth, E.L.
1977-01-01
Interactions of satellite-speed helium atoms (accelerated in an expansion from an arc-heated supersonic-molecular-beam source) with practical satellite surfaces have been investigated experimentally. The density and energy distributions of the scattered atoms were measured using a detection system developed for this study. This detection system includes (a) a target positioning mechanism, (b) a detector rotating mechanism, and (c) a mass spectrometer and/or a retarding-field energy analyzer. (Auth.)
Wang, Jian-ming; Xu, Xue-xiang
2018-04-01
Using dressed state method, we cleverly solve the dynamics of atom-field interaction in the process of two-photon absorption and emission between atomic levels. Here we suppose that the atom is initially in the ground state and the optical field is initially in Fock state, coherent state or thermal state, respectively. The properties of the atom, including the population in excited state and ground state, the atom inversion, and the properties for optical field, including the photon number distribution, the mean photon number, the second-order correlation function and the Wigner function, are discussed in detail. We derive their analytical expressions and then make numerical analysis for them. In contrast with Jaynes-Cummings model, some similar results, such as quantum Rabi oscillation, revival and collapse, are also exhibit in our considered model. Besides, some novel nonclassical states are generated.
International Nuclear Information System (INIS)
Quick, C.R. Jr.; Moore, D.S.
1983-01-01
Coherent anti-Stokes Raman spectroscopy (CARS) is being utilized to investigate the rovibrational energy distributions produced by reactive and nonreactive collisions of translationally hot atoms with simple molecules. Translationally hot H atoms are produced by ArF laser photolysis of HBr. Using CARS we have monitored, in a state-specific and time-resolved manner, rotational excitation of HBr (v = 0), vibrational excitation of HBr and H 2 , rovibrational excitation of H 2 produced by the reaction H + HBr → H 2 + Br, and Br atom production by photolysis of HBr
Method for finding the distribution function of the ions formed in an electrode sheath in a plasma
International Nuclear Information System (INIS)
Chumenkov, V.
1981-01-01
A steady-state one-dimensional kinetic equation is studied for the ions formed in an electrode sheath in a discharge in a transverse magnetic field and also in the ionization--acceleration zone of Hall accelerators. Only single ionization of atoms by electron impact is considered in the collision term on the right side of the equation. The variables which appear on the right side are grouped into an expression which is a measure of the ion energy distribution. The problem is solved through the use of an empirical expression for the integrated ion energy distribution. This approach for finding the ion distribution function makes it a comparatively simple matter to trace the evolution of the distribution function due to changes in the external parameters (the magnetic field, the discharge voltage, and the pressure) or in the geometric characteristics of the discharge apparatus
Huang, K.-N.
1977-01-01
A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.
Directory of Open Access Journals (Sweden)
Sebastian Dalgarno
2017-12-01
Full Text Available We present a species distribution model (SDM for prediction of Black Oystercatcher (Haematopus bachmani breeding pair occurrence in Haida Gwaii, British Columbia. Boosted regression trees, a machine learning algorithm, was used to fit the model. In total, 14 predictors were selected a priori through development of a conceptual model. Breeding pair occurrence data were compiled from two available surveys conducted in 2005 and 2010 (545 km of shoreline surveyed in total. All data were aggregated to common model units (vector polyline shoreline segments approximately 100 m in length, which approximate breeding territory size. The final model, which included eight predictors (distance to treeline, island area, wave exposure, shoreline type, intertidal area within 50 m, segment length, rat occurrence, and intertidal area within 1000 m, had excellent predictive ability assessed by 10-fold cross-validation (AUC = 0.89. Predictive ability was reduced when the model was trained and tested on spatially (AUC = 0.86 and temporally (AUC = 0.83 independent data. Distance to treeline and island area had greatest influence on the model (RI = 41.5% and RI = 36.7%, respectively; we hypothesized that these predictors are related to avoidance of predators. Partial dependence plots revealed that breeding pairs tended to occur: further from the treeline, on small islands, at high wave exposures, at moderate intertidal area, on bedrock or gravel shoreline types, and on islands without rats. However, breeding pairs tended not to occur on very small islands and at very high wave exposures, which we hypothesize to reflect avoidance of nest washout. Results may inform local conservation and management efforts, i.e., from predictive maps, and eventual development of a high-resolution (~100 m model for prediction of Black Oystercatcher breeding pairs at a regional scale. Further, methods and GIS data sets developed may be used to model distribution of other coastal species
Tunnel conductance of Watson-Crick nucleoside-base pairs from telegraph noise
International Nuclear Information System (INIS)
Chang Shuai; He Jin; Lin Lisha; Zhang Peiming; Liang Feng; Huang Shuo; Lindsay, Stuart; Young, Michael
2009-01-01
The use of tunneling signals to sequence DNA is presently hampered by the small tunnel conductance of a junction spanning an entire DNA molecule. The design of a readout system that uses a shorter tunneling path requires knowledge of the absolute conductance across base pairs. We have exploited the stochastic switching of hydrogen-bonded DNA base-nucleoside pairs trapped in a tunnel junction to determine the conductance of individual molecular pairs. This conductance is found to be sensitive to the geometry of the junction, but a subset of the data appears to come from unstrained molecular pairs. The conductances determined from these pairs are within a factor of two of the predictions of density functional calculations. The experimental data reproduces the counterintuitive theoretical prediction that guanine-deoxycytidine pairs (3 H-bonds) have a smaller conductance than adenine-thymine pairs (2 H-bonds). A bimodal distribution of switching lifetimes shows that both H-bonds and molecule-metal contacts break.
Density functional calculations for atoms, molecules and clusters
International Nuclear Information System (INIS)
Gunnarsson, O.; Jones, R.O.
1980-01-01
The density functional formalism provides a framework for including exchange and correlation effects in the calculation of ground state properties of many-electron systems. The reduction of the problem to the solution of single-particle equations leads to important numerical advantages over other ab initio methods of incorporating correlation effects. The essential features of the scheme are outlined and results obtained for atomic and molecular systems are surveyed. The local spin density (LSD) approximation gives generally good results for systems where the bonding involves s and p electrons, but results are less satisfactory for d-bonded systems. Non-local modifications to the LSD approximation have been tested on atomic systems yielding much improved total energies. (Auth.)
Probabilistic Teleportation of an Arbitrary Two-Atom State in Cavity QED
Institute of Scientific and Technical Information of China (English)
LIU Jin-Ming
2007-01-01
We propose a scheme for the teleportation of an arbitrary two-atom state by using two pairs of two-atom nonmaximally entangled states as the quantum channel in cavity QED.It is shown that no matter whether the arbitrary two-atom pure state to be teleported is entangled or not,our teleportation scheme can always be probabilistically realized.The success probability of teleportation is determined by the smaller coefficients of the two initially entangled atom pairs.
Atom-optics knife-edge: Measuring sub-nanokelvin momentum distributions
Ramos, Ramon; Spierings, David; Steinberg, Aephraim
2017-04-01
Temperatures below 1 nanokelvin have been achieved in the recent years, enabling new classes of experiments which benefit from the resulting long coherence times. This achievement comes hand in hand with the challenge of measuring such low temperatures. By employing the equivalent of a knife-edge measurement for matter-waves, we have been able to characterize ultra-low momentum widths. We measured a momentum width corresponding to an effective temperature of 900 +/- 200 pK, only limited by our cooling performance. We show that this technique compares favourably with more traditional methods, which would require expansion times of 100's of ms or frequency stability of 10's of Hz. Finally, we show that the effective knife-edge, created by a potential barrier, begins to become ''blunt'' due to tunneling for thin barriers, and we obtain quantitative agreement with a theoretical model. This method is a useful tool for atomic interferometry and other areas in ultracold atoms where a robust and precise technique for characterizing the momentum distribution is required.
Distribution and kinematics of atomic and molecular gas inside the solar circle
Marasco, A.; Fraternali, F.; van der Hulst, J. M.; Oosterloo, T.
2017-01-01
The detailed distribution and kinematics of the atomic and the CO-bright molecular hydrogen in the disc of the Milky Way inside the solar circle are derived under the assumptions of axisymmetry and pure circular motions. We divide the Galactic disc into a series of rings, and assume that the gas in
Distribution functions of probabilistic automata
Vatan, F.
2001-01-01
Each probabilistic automaton M over an alphabet A defines a probability measure Prob sub(M) on the set of all finite and infinite words over A. We can identify a k letter alphabet A with the set {0, 1,..., k-1}, and, hence, we can consider every finite or infinite word w over A as a radix k expansion of a real number X(w) in the interval [0, 1]. This makes X(w) a random variable and the distribution function of M is defined as usual: F(x) := Prob sub(M) { w: X(w) automata in detail. Automata with continuous distribution functions are characterized. By a new, and much more easier method, it is shown that the distribution function F(x) is an analytic function if it is a polynomial. Finally, answering a question posed by D. Knuth and A. Yao, we show that a polynomial distribution function F(x) on [0, 1] can be generated by a prob abilistic automaton iff all the roots of F'(x) = 0 in this interval, if any, are rational numbers. For this, we define two dynamical systems on the set of polynomial distributions and study attracting fixed points of random composition of these two systems.
Quantum distribution function of nonequilibrium system
International Nuclear Information System (INIS)
Sogo, Kiyoshi; Fujimoto, Yasushi.
1990-03-01
A path integral representation is derived for the Wigner distribution function of a nonequilibrium system coupled with heat bath. Under appropriate conditions, the Wigner distribution function approaches an equilibrium distribution, which manifests shifting and broadening of spectral lines due to the interaction with heat bath. It is shown that the equilibrium distribution becomes the quantum canonical distribution in the vanishing coupling constant limit. (author)
Electron-positron pair production in relativistic ion-atom collisions
International Nuclear Information System (INIS)
Eichler, Joerg
2005-01-01
The creation of electron-positron pairs constitutes an example for the conversion of energy into mass. We here give a brief outline of the various processes and theoretical approaches in a simple fashion. We point out some recent results and difficulties that have yet to be overcome
International Nuclear Information System (INIS)
Kimura, M.
1986-01-01
A review of various theoretical treatments which have been used to study electron-capture and excitation processes in two-electron-system ion-atom, atom-atom collisions at low to intermediate energy is presented. Advantages as well as limitations associated with these theoretical models in application to practical many-electron ion-atom, atom-atom collisions are specifically pointed out. Although a rigorous theoretical study of many-electron systems has just begun so that reports of theoretical calculations are scarce to date in comparison to flourishing experimental activities, some theoretical results are of great interest and provide important information for understanding collision dynamics of the system which contains many electrons. Selected examples are given for electron capture in a multiply charged ion-He collision, ion-pair formation in an atom-atom collision and alignment and orientation in a Li + + He collision. (Auth.)
Massive lepton pairs as a prompt photon surrogate
International Nuclear Information System (INIS)
Berger L, Edmond; Gordon E, Lionel; Klasen, Michael
1998-01-01
The authors discuss the transverse momentum distribution for the production of massive lepton-pairs in hadron reactions at fixed target and collider energies within the context of next-to-leading order perturbative quantum chromodynamics. For values of the transverse momentum Q T greater than the pair mass Q, Q T > Q, they show that the differential cross section is dominated by subprocesses initiated by incident gluons. Massive lepton-pair differential cross sections are an advantageous source of constraints on the gluon density, free from the experimental and theoretical complications of photon isolation that beset studies of prompt photon production. They compare calculations with data and provide predictions for the differential cross section as a function of Q T in proton-antiproton reactions at center-of-mass energies of 1.8 TeV, and in proton-nucleon reactions at fixed target and LHC energies
Stochastic analysis/synthesis using sinusoidal atoms
DEFF Research Database (Denmark)
Jensen, Kristoffer
2008-01-01
This work proposes a method for re-synthesizing music for use in perceptual experiments regarding structural changes and in music creation. Atoms are estimated from music audio, modelled in a stochastic model, and re-synthesized from the model pa- rameters. The atoms are found by splitting...... sinusoids into short segments, and modelled into amplitude and envelope shape, frequency, time and duration. A simple model for creating envelopes with percussive, sustained or crescendo shape is presented. Single variable and joint probability density functions are created from the atom parameters and used...... to re-create sounds with the same distribution of the atoms parameters. A novel method for visualization music, the musigram, permits a better understanding of the re- synthesized sounds....
Beare, Brendan K.
2009-01-01
Suppose that X and Y are random variables. We define a replicating function to be a function f such that f(X) and Y have the same distribution. In general, the set of replicating functions for a given pair of random variables may be infinite. Suppose we have some objective function, or cost function, defined over the set of replicating functions, and we seek to estimate the replicating function with the lowest cost. We develop an approach to estimating the cheapest replicating function that i...
Generation of narrow-band polarization-entangled photon pairs at a rubidium D1 line
International Nuclear Information System (INIS)
Tian Long; Li Shujing; Yuan Haoxiang; Wang Hai
2016-01-01
Using the process of cavity-enhanced spontaneous parametric down-conversion (SPDC), we generate a narrow-band polarization-entangled photon pair resonant on the rubidium (Rb) D1 line (795 nm). The degenerate single-mode photon pair is selected by multiple temperature controlled etalons. The linewidth of generated polarization-entangled photon pairs is 15 MHz which matches the typical atomic memory bandwidth. The measured Bell parameter for the polarization-entangled photons S = 2.73 ± 0.04 which violates the Bell-CHSH inequality by ∼18 standard deviations. The presented entangled photon pair source could be utilized in quantum communication and quantum computing based on quantum memories in atomic ensemble. (author)
S-pairing in neutron matter: I. Correlated basis function theory
International Nuclear Information System (INIS)
Fabrocini, Adelchi; Fantoni, Stefano; Illarionov, Alexey Yu.; Schmidt, Kevin E.
2008-01-01
S-wave pairing in neutron matter is studied within an extension of correlated basis function (CBF) theory to include the strong, short range spatial correlations due to realistic nuclear forces and the pairing correlations of the Bardeen, Cooper and Schrieffer (BCS) approach. The correlation operator contains central as well as tensor components. The correlated BCS scheme of [S. Fantoni, Nucl. Phys. A 363 (1981) 381], developed for simple scalar correlations, is generalized to this more realistic case. The energy of the correlated pair condensed phase of neutron matter is evaluated at the two-body order of the cluster expansion, but considering the one-body density and the corresponding energy vertex corrections at the first order of the Power Series expansion. Based on these approximations, we have derived a system of Euler equations for the correlation factors and for the BCS amplitudes, resulting in correlated nonlinear gap equations, formally close to the standard BCS ones. These equations have been solved for the momentum independent part of several realistic potentials (Reid, Argonne v 14 and Argonne v 8 ' ) to stress the role of the tensor correlations and of the many-body effects. Simple Jastrow correlations and/or the lack of the density corrections enhance the gap with respect to uncorrelated BCS, whereas it is reduced according to the strength of the tensor interaction and following the inclusion of many-body contributions
Lyapunov spectra and conjugate-pairing rule for confined atomic fluids
DEFF Research Database (Denmark)
Bernadi, Stefano; Todd, B.D.; Hansen, Jesper Schmidt
2010-01-01
In this work we present nonequilibrium molecular dynamics simulation results for the Lyapunov spectra of atomic fluids confined in narrow channels of the order of a few atomic diameters. We show the effect that realistic walls have on the Lyapunov spectra. All the degrees of freedom of the confin...... evolved Lyapunov vectors projected into a reduced dimensional phase space. We finally observe that the phase-space compression due to the thermostat remains confined into the wall region and does not significantly affect the purely Newtonian fluid region....
Advanced statistics to improve the physical interpretation of atomization processes
International Nuclear Information System (INIS)
Panão, Miguel R.O.; Radu, Lucian
2013-01-01
Highlights: ► Finite pdf mixtures improves physical interpretation of sprays. ► Bayesian approach using MCMC algorithm is used to find the best finite mixture. ► Statistical method identifies multiple droplet clusters in a spray. ► Multiple drop clusters eventually associated with multiple atomization mechanisms. ► Spray described by drop size distribution and not only its moments. -- Abstract: This paper reports an analysis of the physics of atomization processes using advanced statistical tools. Namely, finite mixtures of probability density functions, which best fitting is found using a Bayesian approach based on a Markov chain Monte Carlo (MCMC) algorithm. This approach takes into account eventual multimodality and heterogeneities in drop size distributions. Therefore, it provides information about the complete probability density function of multimodal drop size distributions and allows the identification of subgroups in the heterogeneous data. This allows improving the physical interpretation of atomization processes. Moreover, it also overcomes the limitations induced by analyzing the spray droplets characteristics through moments alone, particularly, the hindering of different natures of droplet formation. Finally, the method is applied to physically interpret a case-study based on multijet atomization processes
Wang, Jibiao; Che, Yanming; Zhang, Leifeng; Chen, Qijin
2018-04-01
The exotic Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) states have been actively searched for experimentally since the mean-field based FFLO theories were put forward half a century ago. Here, we investigate the stability of FFLO states in the presence of pairing fluctuations. We conclude that FFLO superfluids cannot exist in continuum in three and two dimensions, due to their intrinsic instability, associated with infinite quantum degeneracy of the pairs. These results address the absence of convincing experimental observations of FFLO phases in both condensed matter and in ultracold atomic Fermi gases with a population imbalance. We predict that the true ground state has a pair momentum distribution highly peaked on an entire constant energy surface.
Improved density functional calculations for atoms, molecules and surfaces
International Nuclear Information System (INIS)
Fricke, B.; Anton, J.; Fritzsche, S.; Sarpe-Tudoran, C.
2005-01-01
The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomic molecules, and some surface simulations. We find that the accuracy of our density functional calculations for the smaller systems is comparable to good quantum chemical calculations, and thus this method provides a sound basis for larger systems where no such comparison is possible. (author)
Relativistic Green function for atomic and molecular systems
Energy Technology Data Exchange (ETDEWEB)
Gruzdev, P.F.; Sherstyuk, A.I.
1981-12-01
The problem on Green function construction of Dirac equation is solved for a wide class of single electron potentials in the atom and molecule theory. The solution is obtained in the form of a spectrum analysis according to the total system of eigenfuctions of the generalized Dirac problem for eigenvalues. The problem possesses a purely discrete spectrum.
Charge-state distribution of MeV He ions scattered from the surface atoms
International Nuclear Information System (INIS)
Kimura, Kenji; Ohtsuka, Hisashi; Mannami, Michihiko
1993-01-01
The charge-state distribution of 500-keV He ions scattered from a SnTe (001) surface has been investigated using a new technique of high-resolution high-energy ion scattering spectroscopy. The observed charge-state distribution of ions scattered from the topmost atomic layer coincides with that of ions scattered from the subsurface region and does not depend on the incident charge state but depends on the exit angle. The observed exit-angle dependence is explained by a model which includes the charge-exchange process with the valence electrons in the tail of the electron distribution at the surface. (author)
International Nuclear Information System (INIS)
Rodriguez, Juan I; Thompson, David C; Anderson, James S M; Thomson, Jordan W; Ayers, Paul W
2008-01-01
We present a novel approach for performing multi-dimensional integration of arbitrary functions. The method starts with Smolyak-type sparse grids as cubature formulae on the unit cube and uses a transformation of coordinates based on the conditional distribution method to adapt those formulae to real space. Our method is tested on integrals in one, two, three and six dimensions. The three dimensional integration formulae are used to evaluate atomic interaction energies via the Gordon-Kim model. The six dimensional integration formulae are tested in conjunction with the nonlocal exchange-correlation energy functional proposed by Lee and Parr. This methodology is versatile and powerful; we contemplate application to frozen-density embedding, next-generation molecular-mechanics force fields, 'kernel-type' exchange-correlation energy functionals and pair-density functional theory
International Nuclear Information System (INIS)
Shepard, J. R.
2007-01-01
Three-body recombination rates for cold 4 He are calculated with a method which exploits the simple relationship between the imaginary part of the atom-dimer elastic scattering phase shift and the S-matrix for recombination. The elastic phase shifts are computed above breakup threshold by solving a three-body Faddeev equation in momentum space with inputs based on a variety of modern atom-atom potentials. Recombination coefficients for the HFD-B3-FCII potential agree very well with the only previously published results. Since the elastic scattering and recombination processes for 4 He are governed by 'Efimov physics', they depend on universal functions of a scaling variable. The computed recombination coefficients for potentials other than HFD-B3-FCII make it possible to determine these universal functions
Eliciting hyperparameters of prior distributions for the parameters of paired comparison models
Directory of Open Access Journals (Sweden)
Nasir Abbas
2013-02-01
Full Text Available Normal 0 false false false EN-US X-NONE AR-SA In the study of paired comparisons (PC, items may be ranked or issues may be prioritized through subjective assessment of certain judges. PC models are developed and then used to serve the purpose of ranking. The PC models may be studied through classical or Bayesian approach. Bayesian inference is a modern statistical technique used to draw conclusions about the population parameters. Its beauty lies in incorporating prior information about the parameters into the analysis in addition to current information (i.e. data. The prior and current information are formally combined to yield a posterior distribution about the population parameters, which is the work bench of the Bayesian statisticians. However, the problems the Bayesians face correspond to the selection and formal utilization of prior distribution. Once the type of prior distribution is decided to be used, the problem of estimating the parameters of the prior distribution (i.e. elicitation still persists. Different methods are devised to serve the purpose. In this study an attempt is made to use Minimum Chi-square (hence forth MCS for the elicitation purpose. Though it is a classical estimation technique, but is used here for the election purpose. The entire elicitation procedure is illustrated through a numerical data set.
The tensor distribution function.
Leow, A D; Zhu, S; Zhan, L; McMahon, K; de Zubicaray, G I; Meredith, M; Wright, M J; Toga, A W; Thompson, P M
2009-01-01
Diffusion weighted magnetic resonance imaging is a powerful tool that can be employed to study white matter microstructure by examining the 3D displacement profile of water molecules in brain tissue. By applying diffusion-sensitized gradients along a minimum of six directions, second-order tensors (represented by three-by-three positive definite matrices) can be computed to model dominant diffusion processes. However, conventional DTI is not sufficient to resolve more complicated white matter configurations, e.g., crossing fiber tracts. Recently, a number of high-angular resolution schemes with more than six gradient directions have been employed to address this issue. In this article, we introduce the tensor distribution function (TDF), a probability function defined on the space of symmetric positive definite matrices. Using the calculus of variations, we solve the TDF that optimally describes the observed data. Here, fiber crossing is modeled as an ensemble of Gaussian diffusion processes with weights specified by the TDF. Once this optimal TDF is determined, the orientation distribution function (ODF) can easily be computed by analytic integration of the resulting displacement probability function. Moreover, a tensor orientation distribution function (TOD) may also be derived from the TDF, allowing for the estimation of principal fiber directions and their corresponding eigenvalues.
Morari, Cristian; Muntean, Cristina M; Tripon, Carmen; Buimaga-Iarinca, Luiza; Calborean, Adrian
2014-04-01
The binding effects of Mg²⁺, Ca²⁺, and Cu²⁺ ions on the vibrational properties of guanine-cytosine base pairs have been performed using density functional theory investigations. Both Watson-Crick and Hoogsteen configurations of the base pairs were investigated. In Watson-Crick configuration, the metal was coordinated at N7 atom of guanine, while in the case of Hoogsteen configuration, the coordination is at N3 atom of guanine. We have pointed out the geometric properties of the metal-GC base pairs structure, as well as the vibrational bands that can be used to detect the presence of metallic ions in the Watson-Crick and Hoogsteen GC structures. For the geometric models used by us, the vibrational amplitudes of metallic atoms were stronger for wavenumbers lower than 500 cm⁻¹. This suggests that in the experimental studies on DNA the presence of the three metallic atoms (Mg, Ca, and Cu) can be explicitly detected at low frequencies.
Exact ground-state correlation functions of an atomic-molecular Bose–Einstein condensate model
Links, Jon; Shen, Yibing
2018-05-01
We study the ground-state properties of an atomic-molecular Bose–Einstein condensate model through an exact Bethe Ansatz solution. For a certain range of parameter choices, we prove that the ground-state Bethe roots lie on the positive real-axis. We then use a continuum limit approach to obtain a singular integral equation characterising the distribution of these Bethe roots. Solving this equation leads to an analytic expression for the ground-state energy. The form of the expression is consistent with the existence of a line of quantum phase transitions, which has been identified in earlier studies. This line demarcates a molecular phase from a mixed phase. Certain correlation functions, which characterise these phases, are then obtained through the Hellmann–Feynman theorem.
Back-to-back heavy quark pair production in semi-inclusive DIS
Zhang, Guang-Peng
2017-11-01
The one-loop correction to heavy quark pair back-to-back production in unpolarized semi-inclusive deep inelastic scattering is given in this work in the framework of transverse momentum dependent(TMD) factorization. Both unpolarized and linearly polarized TMD gluon distribution functions are taken into account. A subtraction method based on diagram expansion is used to get finite hard coefficients. It is found the soft and collinear divergences of one-loop amplitude is proportional to tree level ones and can be expressed through several basic scalar triangle and bubble integrals. The subtraction of these divergences is spin independent. Beyond tree level an additional soft factor related to final heavy quark pair must be added into the factorization formula. This soft factor affects the azimuthal angle distribution of virtual photon in a nonperturbative way. Integrating over virtual photon azimuthal angle we construct three weighted cross sections, which depend on only three additional integrated soft factors. These weighted cross sections can be used to extract linearly polarized gluon distribution function. In addition, lepton azimuthal angle is unintegrated in this work, which provides more observables. All hard coefficients relevant to lepton and virtual photon azimuthal angle distributions are given at one-loop level.
PAIR PRODUCTION IN LOW-LUMINOSITY GALACTIC NUCLEI
International Nuclear Information System (INIS)
Moscibrodzka, M.; Gammie, C. F.; Dolence, J. C.; Shiokawa, H.
2011-01-01
Electron-positron pairs may be produced near accreting black holes by a variety of physical processes, and the resulting pair plasma may be accelerated and collimated into a relativistic jet. Here, we use a self-consistent dynamical and radiative model to investigate pair production by γγ collisions in weakly radiative accretion flows around a black hole of mass M and accretion rate M-dot . Our flow model is drawn from general relativistic magnetohydrodynamic simulations, and our radiation field is computed by a Monte Carlo transport scheme assuming the electron distribution function is thermal. We argue that the pair production rate scales as r -6 M -1 M-dot 6 . We confirm this numerically and calibrate the scaling relation. This relation is self-consistent in a wedge in M, M-dot parameter space. If M-dot is too low the implied pair density over the poles of the black hole is below the Goldreich-Julian density and γγ pair production is relatively unimportant; if M-dot is too high the models are radiatively efficient. We also argue that for a power-law spectrum the pair production rate should scale with the observables L X ≡ X-ray luminosity and M as L 2 X M -4 . We confirm this numerically and argue that this relation likely holds even for radiatively efficient flows. The pair production rates are sensitive to black hole spin and to the ion-electron temperature ratio which are fixed in this exploratory calculation. We finish with a brief discussion of the implications for Sgr A* and M87.
Specific features of energy and spatial distribution of primary knocked-out atoms in monocrystals
International Nuclear Information System (INIS)
Taratin, A.M.; Vorob'ev, S.A.
1978-01-01
By simulation trajectories of 0.2 MeV protons in 1 μm thick Al monocrystal, the energy and spatial distributions of primary atoms knocked out by the protons (PKA) have been studied. Different orientations of the incident beam axis relative to the densely packed direction in the case of ''quasichanneling'' and ''chaotic'' scattering of particles by the crystal have been researched. The depth dependence of the number of generated PKA, their distribution in the plane transverse to the preferred direction, and the energy spectrum of PKA have been obtained. It is shown that the PKA volume density is higher than that obtained using evaluations not accounting for the crystalline structure, and the energy spectrum contains more low energy PKAs. A concept of the cross section of the PKA production on an atomic chain is introduced for ipterpretation of the data obtained
Electron distribution function in laser heated plasmas
International Nuclear Information System (INIS)
Fourkal, E.; Bychenkov, V. Yu.; Rozmus, W.; Sydora, R.; Kirkby, C.; Capjack, C. E.; Glenzer, S. H.; Baldis, H. A.
2001-01-01
A new electron distribution function has been found in laser heated homogeneous plasmas by an analytical solution to the kinetic equation and by particle simulations. The basic kinetic model describes inverse bremsstrahlung absorption and electron--electron collisions. The non-Maxwellian distribution function is comprised of a super-Gaussian bulk of slow electrons and a Maxwellian tail of energetic particles. The tails are heated due to electron--electron collisions and energy redistribution between superthermal particles and light absorbing slow electrons from the bulk of the distribution function. A practical fit is proposed to the new electron distribution function. Changes to the linear Landau damping of electron plasma waves are discussed. The first evidence for the existence of non-Maxwellian distribution functions has been found in the interpretation, which includes the new distribution function, of the Thomson scattering spectra in gold plasmas [Glenzer , Phys. Rev. Lett. 82, 97 (1999)
Dependence of two-proton radioactivity on nuclear pairing models
Oishi, Tomohiro; Kortelainen, Markus; Pastore, Alessandro
2017-10-01
Sensitivity of two-proton emitting decay to nuclear pairing correlation is discussed within a time-dependent three-body model. We focus on the 6Be nucleus assuming α +p +p configuration, and its decay process is described as a time evolution of the three-body resonance state. For a proton-proton subsystem, a schematic density-dependent contact (SDDC) pairing model is employed. From the time-dependent calculation, we observed the exponential decay rule of a two-proton emission. It is shown that the density dependence does not play a major role in determining the decay width, which can be controlled only by the asymptotic strength of the pairing interaction. This asymptotic pairing sensitivity can be understood in terms of the dynamics of the wave function driven by the three-body Hamiltonian, by monitoring the time-dependent density distribution. With this simple SDDC pairing model, there remains an impossible trinity problem: it cannot simultaneously reproduce the empirical Q value, decay width, and the nucleon-nucleon scattering length. This problem suggests that a further sophistication of the theoretical pairing model is necessary, utilizing the two-proton radioactivity data as the reference quantities.
Scattering of electrons in copper by a Frenkel pair defect
Energy Technology Data Exchange (ETDEWEB)
Lodder, A.; Rijsdijk, G.A.; Bukman, D.J.; Baratta, A.J.; Molenaar, J.
1988-06-01
The Korringa-Kohn-Rostoker (KKR) Green function extended-defect formalism, used to describe the scattering of Bloch electrons in a dilute alloy, is generalised to include an asymmetric defect centred on a lattice site. The revised theory is then used to investigate conduction electron scattering from Frenkel pairs in Cu. Such defects consist of two self-interstitial atoms centred on a vacant lattice site forming a dumb-bell oriented along the <100> axis. The generalised formalism allows one to calculate the cluster t matrix T for the Frenkel pair cluster including the surrounding displaced nearest neighbours. It was found that the interstitials at the vacant lattice site could still be treated within the muffin-tin potential as a central scatterer characterised by a t matrix which is non-diagonal in the angular momentum. Electron scattering rates and Dingle temperatures are calculated and discussed in view of preliminary experimental results.
Scattering of electrons in copper by a Frenkel pair defect
International Nuclear Information System (INIS)
Lodder, A.; Rijsdijk, G.A.; Bukman, D.J.; Baratta, A.J.; Molenaar, J.
1988-01-01
The Korringa-Kohn-Rostoker (KKR) Green function extended-defect formalism, used to describe the scattering of Bloch electrons in a dilute alloy, is generalised to include an asymmetric defect centred on a lattice site. The revised theory is then used to investigate conduction electron scattering from Frenkel pairs in Cu. Such defects consist of two self-interstitial atoms centred on a vacant lattice site forming a dumb-bell oriented along the axis. The generalised formalism allows one to calculate the cluster t matrix T for the Frenkel pair cluster including the surrounding displaced nearest neighbours. It was found that the interstitials at the vacant lattice site could still be treated within the muffin-tin potential as a central scatterer characterised by a t matrix which is non-diagonal in the angular momentum. Electron scattering rates and Dingle temperatures are calculated and discussed in view of preliminary experimental results. (author)
International Nuclear Information System (INIS)
Lane, N.F.
1989-01-01
The theoretical atomic and molecular physics program at Rice University addresses basic questions about the collision dynamics of electrons, atoms, ions and molecules, emphasizing processes related to possible new energy technologies and other applications. The program focuses on inelastic collision processes that are important in understanding energy and ionization balance in disturbed gases and plasmas. Emphasis is placed on systems and processes where some experimental information is available or where theoretical results may be expected to stimulate new measurements. Examples of current projects include: excitation and charge-transfer processes; orientation and alignment of excited states following collisions; Rydberg atom collisions with atoms and molecules; Penning ionization and ion-pair formation in atom-atom collisions; electron-impact ionization in dense, high-temperature plasmas; electron-molecule collisions; and related topics
Energy Technology Data Exchange (ETDEWEB)
Loth, S.
2007-10-26
This thesis reports measurements of single dopant atoms in III-V semiconductors with low temperature Scanning Tunneling Microscopy (STM) and Scanning Tunneling Spectroscopy (STS). It investigates the anisotropic spatial distribution of acceptor induced tunneling processes at the {l_brace}110{r_brace} cleavage planes. Two different tunneling processes are identified: conventional imaging of the squared acceptor wave function and resonant tunneling at the charged acceptor. A thorough analysis of the tip induced space charge layers identifies characteristic bias windows for each tunnel process. The symmetry of the host crystal's band structure determines the spatial distribution of the tunneling paths for both processes. Symmetry reducing effects at the surface are responsible for a pronounced asymmetry of the acceptor contrasts along the principal [001] axis. Uniaxial strain fields due to surface relaxation and spin orbit interaction of the tip induced electric field are discussed on the basis of band structure calculations. High-resolution STS studies of acceptor atoms in an operating p-i-n diode confirm that an electric field indeed changes the acceptor contrasts. In conclusion, the anisotropic contrasts of acceptors are created by the host crystal's band structure and concomitant symmetry reduction effects at the surface. (orig.)
International Nuclear Information System (INIS)
Shabanova, I.N.; Terebova, N.S.
2013-01-01
Highlights: •Carbon metal-containing nanotubes (Me–Cu, Ni, Fe) were functionalized with chemical groups containing different concentrations of phosphorous. •The C1s and Me3s spectra were measured by the X-ray photoelectron spectroscopy method. •The values of the atomic magnetic moment of the carbon metal-containing nanotubes were determined. -- Abstract: In the present paper, carbon metal-containing (Me: Cu, Ni, Fe) nanotubes functionalized with phosphorus atoms (ammonium polyphosphate) were studied by X-ray photoelectron spectroscopy (XPS) on an X-ray electron magnetic spectrometer. It is found that the functionalization leads to the change of the metal atomic magnetic moment, i.e. the value of the atomic magnetic moment in the functionalized carbon metal-containing (Cu, Ni, Fe) nanotubes increases and is higher than that in pristine nanotubes. It is shown that the covalent bond of Me and P atoms is formed. This leads to an increase in the activity of the nanostructure surface which is necessary for the modification of materials
Isovectorial pairing in solvable and algebraic models
International Nuclear Information System (INIS)
Lerma, Sergio; Vargas, Carlos E; Hirsch, Jorge G
2011-01-01
Schematic interactions are useful to gain some insight in the behavior of very complicated systems such as the atomic nuclei. Prototypical examples are, in this context, the pairing interaction and the quadrupole interaction of the Elliot model. In this contribution the interplay between isovectorial pairing, spin-orbit, and quadrupole terms in a harmonic oscillator shell (the so-called pairing-plus-quadrupole model) is studied by algebraic methods. The ability of this model to provide a realistic description of N = Z even-even nuclei in the fp-shell is illustrated with 44 Ti. Our calculations which derive from schematic and simple terms confirm earlier conclusions obtained by using realistic interactions: the SU(3) symmetry of the quadrupole term is broken mainly by the spin-orbit term, but the energies depends strongly on pairing.
Electron - atom bremsstrahlung
International Nuclear Information System (INIS)
Kim, L.
1986-01-01
Features of bremsstrahlung radiation from neutral atoms and atoms in hot dense plasmas are studied. Predictions for the distributions of electron-atom bremsstrahlung radiation for both the point-Coulomb potential and screened potentials are obtained using a classical numerical method. Results agree with exact quantum-mechanical partial-wave results for low incident electron energies in both the point-Coulomb and screened potentials. In the screened potential, the asymmetry parameter of a spectrum is reduced from the Coulomb values. The difference increases with decreasing energy and begins to oscillate at very low energies. The scaling properties of bremsstrahlung spectra and energy losses were also studied. It was found that the ratio of the radiative energy loss for positrons to that for electrons obeys a simple scaling law, being expressible fairly accurately as a function only of the quantity T 1 /Z 2 . This scaling is exact in the case of the point-Coulomb potential, both for classical bremsstrahlung and for the nonrelativistic dipole Sommerfeld formula. Bremsstrahlung from atoms in hot dense plasmas were also studied describing the atomic potentials by the temperature-and-density dependent Thomas-Fermi mode. Gaunt factors were obtained with the relativistic partial-wave method for atoms in plasmas of various densities and temperatures
International Nuclear Information System (INIS)
Gbordzoe, M.K.
1984-09-01
Interactions in biological and artificial membranes have been studied by applying mostly the methods of biochemical analysis and determination of thermodynamic parameters related to phase transition phenomena. Structure factor, obtained by measuring scattered intensity from small-angle X-ray or neutron scattering experiments, has been used mainly for determining electron density distribution. Drawing upon the experience of the theory of liquids, where Johnson and March (1963) and Johnson, Hutchinson and March (1964) first established the possibility of deriving interparticle potential from experimental measurement of structure factor, it is suggested that structure factor/distance correlation function approach, can be a useful method for studying interactions between various membrane components. Preliminary experimental data presented for nerve myelin are to demonstrate the possibility of studying interactions from the distance correlation function of a membrane pair. (author)
Time evolution of distribution functions in dissipative environments
International Nuclear Information System (INIS)
Hu Li-Yun; Chen Fei; Wang Zi-Sheng; Fan Hong-Yi
2011-01-01
By introducing the thermal entangled state representation, we investigate the time evolution of distribution functions in the dissipative channels by bridging the relation between the initial distribution function and the any time distribution function. We find that most of them are expressed as such integrations over the Laguerre—Gaussian function. Furthermore, as applications, we derive the time evolution of photon-counting distribution by bridging the relation between the initial distribution function and the any time photon-counting distribution, and the time evolution of R-function characteristic of nonclassicality depth. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)
Total scattering of disordered crystalline functional materials
International Nuclear Information System (INIS)
Shamoto, Shin-Ichi; Kodama, Katsuaki; Iikubo, Satoshi; Taguchi, Tomitsugu
2009-01-01
There are disorders in some modern functional materials. As an example, the crystalline phase of an optical recording material has low thermal conductivity but high electrical conductivity, simultaneously. This contradiction is a challenge to material scientists in designing good functional materials, which should have at least two types of crystallographic sites. One site limits thermal conductivity while the other site carries electrons or holes with high mobility. This problem exists with not only optical recording materials but also thermoelectric materials. The periodic boundary condition gets lost in the disordered parts. This therefore, makes atomic pair distribution function (PDF) analysis with a wide range of real space suitable for investigating the form and size of crystalline parts as well as disordered parts in the material. Pulsed neutron powder diffraction is one of the best tools for use in this new type of emerging research, together with synchrotron X-ray powder diffraction and electron diffraction.
Topological Nodal Cooper Pairing in Doped Weyl Metals
Li, Yi; Haldane, F. D. M.
2018-02-01
We generalize the concept of Berry connection of the single-electron band structure to that of a two-particle Cooper pairing state between two Fermi surfaces with opposite Chern numbers. Because of underlying Fermi surface topology, the pairing Berry phase acquires nontrivial monopole structure. Consequently, pairing gap functions have topologically protected nodal structure as vortices in the momentum space with the total vorticity solely determined by the pair monopole charge qp. The nodes of gap function behave as the Weyl-Majorana points of the Bogoliubov-de Gennes pairing Hamiltonian. Their relation with the connection patterns of the surface modes from the Weyl band structure and the Majorana surface modes inside the pairing gap is also discussed. Under the approximation of spherical Fermi surfaces, the pairing symmetry are represented by monopole harmonic functions. The lowest possible pairing channel carries angular momentum number j =|qp|, and the corresponding gap functions are holomorphic or antiholomorphic functions on Fermi surfaces. After projected on the Fermi surfaces with nontrivial topology, all the partial-wave channels of pairing interactions acquire the monopole charge qp independent of concrete pairing mechanism.
International Nuclear Information System (INIS)
Bracker, A.S.; Lee, Y.T.; Bracker, A.S.; Wouters, E.R.; Suits, A.G.; Lee, Y.T.; Lee, Y.T.; Vasyutinskii, O.S.
1998-01-01
We have analyzed the recoil angle dependence of chlorine atom angular momentum alignment for the dissociation of chlorine molecules at 355nm. This angular distribution was isolated from ion image measurements, which map a three-dimensional velocity vector distribution of state-selectively-ionized photofragments into a two-dimensional spatial distribution. Using a general quantum mechanical method to simulate the alignment angular distribution, we show that there are clear contributions to alignment from both incoherent and coherent components of a perpendicular optical transition in the molecule. copyright 1998 The American Physical Society
Electron population uncertainty and atomic covalency
International Nuclear Information System (INIS)
Chesnut, D.B.
2006-01-01
The atoms-in-molecules (AIM) index of atomic covalency is directly related to the AIM atomic population uncertainty. The covalent bond order, delocalization index, and, therefore, the atomic covalency are maximal when electron pairs are equally shared by the atoms involved. When polarization effects are present, these measures of covalent bond character decrease. We present atomic covalences for the single- and double-heavy atom hydrides of elements of the first and second low rows of the periodic table to illustrate these effects. Some usual behavior is seen in hydrogen-bridged species due in some cases to stronger than expected multicenter bonds and in other cases to many atoms contributing to the covalency index
Evidence for a transverse single-spin asymmetry in leptoproduction of π+π- pairs
International Nuclear Information System (INIS)
Airapetian, A.
2008-03-01
A single-spin asymmetry was measured in the azimuthal distribution of π + π - . pairs produced in semi-inclusive deep-inelastic scattering on a transversely polarized hydrogen target. For the first time, evidence is found for a correlation between the transverse target polarization and the azimuthal orientation of the plane containing the two pions. The corresponding single-spin asymmetry is expected to be related to the product of the little-known quark transversity distribution function and an unknown naive-T-odd chiral-odd dihadron fragmentation function. (orig.)
Two-Particle Four-Mode Interferometer for Atoms
Dussarrat, Pierre; Perrier, Maxime; Imanaliev, Almazbek; Lopes, Raphael; Aspect, Alain; Cheneau, Marc; Boiron, Denis; Westbrook, Christoph I.
2017-10-01
We present a free-space interferometer to observe two-particle interference of a pair of atoms with entangled momenta. The source of atom pairs is a Bose-Einstein condensate subject to a dynamical instability, and the interferometer is realized using Bragg diffraction on optical lattices, in the spirit of our recent Hong-Ou-Mandel experiment. We report on an observation ruling out the possibility of a purely mixed state at the input of the interferometer. We explain how our current setup can be extended to enable a test of a Bell inequality on momentum observables.
COVAL, Compound Probability Distribution for Function of Probability Distribution
International Nuclear Information System (INIS)
Astolfi, M.; Elbaz, J.
1979-01-01
1 - Nature of the physical problem solved: Computation of the probability distribution of a function of variables, given the probability distribution of the variables themselves. 'COVAL' has been applied to reliability analysis of a structure subject to random loads. 2 - Method of solution: Numerical transformation of probability distributions
High-temperature atomic superfluidity in lattice Bose-Fermi mixtures.
Illuminati, Fabrizio; Albus, Alexander
2004-08-27
We consider atomic Bose-Fermi mixtures in optical lattices and study the superfluidity of fermionic atoms due to s-wave pairing induced by boson-fermion interactions. We prove that the induced fermion-fermion coupling is always attractive if the boson-boson on-site interaction is repulsive, and predict the existence of an enhanced BEC-BCS crossover as the strength of the lattice potential is varied. We show that for direct on-site fermion-fermion repulsion, the induced attraction can give rise to superfluidity via s-wave pairing at striking variance with the case of pure systems of fermionic atoms with direct repulsive interactions.
High-temperature atomic superfluidity in lattice Bose-Fermi mixtures
International Nuclear Information System (INIS)
Illuminati, Fabrizio; Albus, Alexander
2004-01-01
We consider atomic Bose-Fermi mixtures in optical lattices and study the superfluidity of fermionic atoms due to s-wave pairing induced by boson-fermion interactions. We prove that the induced fermion-fermion coupling is always attractive if the boson-boson on-site interaction is repulsive, and predict the existence of an enhanced BEC-BCS crossover as the strength of the lattice potential is varied. We show that for direct on-site fermion-fermion repulsion, the induced attraction can give rise to superfluidity via s-wave pairing at striking variance with the case of pure systems of fermionic atoms with direct repulsive interactions
[Paired kidneys in transplant].
Regueiro López, Juan C; Leva Vallejo, Manuel; Prieto Castro, Rafael; Anglada Curado, Francisco; Vela Jiménez, Francisco; Ruiz García, Jesús
2009-02-01
Many factors affect the graft and patient survival on the renal transplant outcome. These factors depend so much of the recipient and donor. We accomplished a study trying to circumvent factors that depend on the donor. We checked the paired kidneys originating of a same donor cadaver. We examined the risk factors in the evolution and follow-up in 278 couples of kidney transplant. We describe their differences, significance, the graft and patient survival, their functionality in 3 and 5 years and the risk factors implicated in their function. We study immunogenic and no immunogenic variables, trying to explain the inferior results in the grafts that are established secondly. We regroup the paired kidneys in those that they did not show paired initial function within the same couple. The results yield a discreet deterioration in the graft and patient survival for second group establish, superior creatinina concentration, without obtaining statistical significance. The Cox regression study establishes the early rejection (inferior to three months) and DR incompatibility values like risk factors. This model of paired kidneys would be able to get close to best-suited form for risk factors analysis in kidney transplant from cadaver donors, if more patients examine themselves in the same way. The paired kidneys originating from the same donor do not show the same function in spite of sharing the same conditions of the donor and perioperative management.
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.
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.
Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii
Directory of Open Access Journals (Sweden)
Raka Biswas
2002-02-01
Full Text Available Abstract. A set of theoretical atomic radii corresponding to the principal maximum in the radial distribution function, 4ÃÂ€r2R2 for the outermost orbital has been calculated for the ground state of 103 elements of the periodic table using Slater orbitals. The set of theoretical radii are found to reproduce the periodic law and the Lother MeyerÃ¢Â€Â™s atomic volume curve and reproduce the expected vertical and horizontal trend of variation in atomic size in the periodic table. The d-block and f-block contractions are distinct in the calculated sizes. The computed sizes qualitatively correlate with the absolute size dependent properties like ionization potentials and electronegativity of elements. The radii are used to calculate a number of size dependent periodic physical properties of isolated atoms viz., the diamagnetic part of the atomic susceptibility, atomic polarizability and the chemical hardness. The calculated global hardness and atomic polarizability of a number of atoms are found to be close to the available experimental values and the profiles of the physical properties computed in terms of the theoretical atomic radii exhibit their inherent periodicity. A simple method of computing the absolute size of atoms has been explored and a large body of known material has been brought together to reveal how many different properties correlate with atomic size.
Structure functions and parton distributions
International Nuclear Information System (INIS)
Olness, F.; Tung, Wu-Ki
1991-04-01
Activities of the structure functions and parton distributions group is summarized. The impact of scheme-dependence of parton distributions (especially sea-quarks and gluons) on the quantitative formulation of the QCD parton model is highlighted. Recent progress on the global analysis of parton distributions is summarized. Issues on the proper use of the next-to-leading parton distributions are stressed
Rodriguez, A.; Ayers, P.W.; Gotz, A.W.; Castillo-Alvarado, F.L.
2009-01-01
A new approach for computing the atom-in-molecule [quantum theory of atoms in molecule (QTAIM)] energies in Kohn-Sham density-functional theory is presented and tested by computing QTAIM energies for a set of representative molecules. In the new approach, the contribution for the correlation-kinetic
Energy Technology Data Exchange (ETDEWEB)
Szymanowski, Lech [Soltan Institute for Nuclear Studies, Hoza 69, 00691, Warsaw (Poland); Pire, Bernard [Centre de Physique Theorique - CPHT, UMR 7644, Ecole Polytechnique, Bat. 6, RDC, F91128 Palaiseau Cedex (France)
2010-07-01
We describe a new way to access the chiral odd transversity parton distribution in the proton through the photoproduction of lepton pairs. The basic ingredient is the interference of the usual Bethe Heitler or Drell-Yan amplitudes with the amplitude of a process, where the photon couples to quarks through its chiral-odd distribution amplitude, which is normalized to the magnetic susceptibility of the QCD vacuum. A phenomenology of single and double spin observables emerges from the unusual features of this amplitude (Phys.Rev.Lett.103:072002,2009). (authors)
Borgonjen, E.G.; Borgonjen, E.G.; Moers, M.H.P.; Moers, M.H.P.; Ruiter, A.G.T.; van Hulst, N.F.
1995-01-01
A 'stand-alone' Photon Scanning Tunneling Microscope combined with an Atomic force Microscope, using a micro-fabricated silicon-nitride probe, is applied to the imaging of field distribution in integrated optical ridge waveguides. The electric field on the waveguide is locally probed by coupling to
International Nuclear Information System (INIS)
Khuseynov, Dmitry; Blackstone, Christopher C.; Culberson, Lori M.; Sanov, Andrei
2014-01-01
We present a model for laboratory-frame photoelectron angular distributions in direct photodetachment from (in principle) any molecular orbital using linearly polarized light. A transparent mathematical approach is used to generalize the Cooper-Zare central-potential model to anionic states of any mixed character. In the limit of atomic-anion photodetachment, the model reproduces the Cooper-Zare formula. In the case of an initial orbital described as a superposition of s and p-type functions, the model yields the previously obtained s-p mixing formula. The formalism is further advanced using the Hanstorp approximation, whereas the relative scaling of the partial-wave cross-sections is assumed to follow the Wigner threshold law. The resulting model describes the energy dependence of photoelectron anisotropy for any atomic, molecular, or cluster anions, usually without requiring a direct calculation of the transition dipole matrix elements. As a benchmark case, we apply the p-d variant of the model to the experimental results for NO − photodetachment and show that the observed anisotropy trend is described well using physically meaningful values of the model parameters. Overall, the presented formalism delivers insight into the photodetachment process and affords a new quantitative strategy for analyzing the photoelectron angular distributions and characterizing mixed-character molecular orbitals using photoelectron imaging spectroscopy of negative ions
Khuseynov, Dmitry; Blackstone, Christopher C.; Culberson, Lori M.; Sanov, Andrei
2014-09-01
We present a model for laboratory-frame photoelectron angular distributions in direct photodetachment from (in principle) any molecular orbital using linearly polarized light. A transparent mathematical approach is used to generalize the Cooper-Zare central-potential model to anionic states of any mixed character. In the limit of atomic-anion photodetachment, the model reproduces the Cooper-Zare formula. In the case of an initial orbital described as a superposition of s and p-type functions, the model yields the previously obtained s-p mixing formula. The formalism is further advanced using the Hanstorp approximation, whereas the relative scaling of the partial-wave cross-sections is assumed to follow the Wigner threshold law. The resulting model describes the energy dependence of photoelectron anisotropy for any atomic, molecular, or cluster anions, usually without requiring a direct calculation of the transition dipole matrix elements. As a benchmark case, we apply the p-d variant of the model to the experimental results for NO- photodetachment and show that the observed anisotropy trend is described well using physically meaningful values of the model parameters. Overall, the presented formalism delivers insight into the photodetachment process and affords a new quantitative strategy for analyzing the photoelectron angular distributions and characterizing mixed-character molecular orbitals using photoelectron imaging spectroscopy of negative ions.
Casimir interaction between gas media of excited atoms
International Nuclear Information System (INIS)
Sherkunov, Yury
2007-01-01
The retarded dispersion interaction (Casimir interaction) between two dilute dielectric media at high temperatures is considered. The excited atoms are taken into account. It is shown that the perturbation technique cannot be applied to this problem due to divergence of integrals. A non-perturbative approach based on kinetic Green functions is implemented. We consider the interaction between two atoms (one of them is excited) embedded in an absorbing dielectric medium. We take into account the possible absorption of photons in the medium, which solves the problem of divergence. The force between two plane dilute dielectric media is calculated at pair interaction approximation. We show that the result of quantum electrodynamics differs from the Lifshitz formula for dilute gas media at high temperatures (if the number of excited atoms is significant). According to quantum electrodynamics, the interaction may be either attractive or repulsive depending on the temperature and the density numbers of the media
Energy Technology Data Exchange (ETDEWEB)
Airapetian, A. [Justus-Liebig Universitaet Giessen, II. Physikalisches Institut, Giessen (Germany); University of Michigan, Randall Laboratory of Physics, Ann Arbor, MI (United States); Akopov, N.; Avakian, R.; Avetissian, A.; Elbakian, G.; Gharibyan, V.; Karyan, G.; Marukyan, H.; Petrosyan, A.; Taroian, S. [Yerevan Physics Institute, Yerevan (Armenia); Akopov, Z.; Avetisyan, E.; Borissov, A.; Deconinck, W.; Hartig, M.; Holler, Y.; Lu, X.G.; Martinez de la Ossa, A.; Rostomyan, A.; Ye, Z.; Zihlmann, B. [DESY, Hamburg (Germany); Aschenauer, E.C.; Fabbri, R.; Hristova, I.; Negodaev, M.; Nowak, W.D. [DESY, Zeuthen (Germany); Augustyniak, W.; Marianski, B.; Trzcinski, A.; Zupranski, P. [National Centre for Nuclear Research, Warsaw (Poland); Belostotski, S.; Kisselev, A.; Naryshkin, Y.; Veretennikov, D.; Vikhrov, V. [B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad Region (Russian Federation); Bianchi, N.; Capitani, G.P.; De Sanctis, E.; Di Nezza, P.; Fantoni, A.; Hasch, D.; Reolon, A.R. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, Frascati (Italy); Blok, H.P. [National Institute for Subatomic Physics (Nikhef), Amsterdam (Netherlands); VU University, Department of Physics and Astronomy, Amsterdam (Netherlands); Bryzgalov, V.; Gapienko, G.; Gapienko, V.; Ivanilov, A.; Korotkov, V.; Salomatin, Y. [Institute for High Energy Physics, Protvino, Moscow Region (Russian Federation); Burns, J.; Kaiser, R.; Lehmann, I.; Mahon, D.; Murray, M.; Rosner, G.; Seitz, B. [University of Glasgow, SUPA, School of Physics and Astronomy, G12 8QQ (United Kingdom); Capiluppi, M.; Ciullo, G.; Dalpiaz, P.F.; Lenisa, P.; Pappalardo, L.L.; Stancari, M.; Statera, M. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (Italy); Universita di Ferrara, Dipartimento di Fisica e Scienze della Terra, Ferrara (Italy); Cisbani, E.; Frullani, S.; Garibaldi, F. [Istituto Nazionale di Fisica Nucleare, Sezione di Roma, Gruppo Collegato Sanita, Rome (Italy); Istituto Superiore di Sanita, Rome (Italy); Contalbrigo, M.; Movsisyan, A. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (Italy); De Leo, R.; Lagamba, L.; Nappi, E.; Vilardi, I. [Istituto Nazionale di Fisica Nucleare, Sezione di Bari, Bari (Italy); Diefenthaler, M. [Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (Germany); University of Illinois, Department of Physics, Urbana, IL (United States); Dueren, M.; Etzelmueller, E.; Keri, T.; Perez-Benito, R.; Stahl, M. [Justus-Liebig Universitaet Giessen, II. Physikalisches Institut, Giessen (Germany); Ellinghaus, F.; Kinney, E. [University of Colorado, Nuclear Physics Laboratory, Boulder, CO (United States); Felawka, L.; Yen, S. [TRIUMF, Vancouver, BC (Canada); Garay Garcia, J. [University of the Basque Country UPV/EHU, Department of Theoretical Physics, Bilbao (Spain); DESY, Hamburg (Germany); Gavrilov, G. [DESY, Hamburg (Germany); B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad Region (Russian Federation); TRIUMF, Vancouver, BC (Canada); Giordano, F. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (Italy); Universita di Ferrara, Dipartimento di Fisica e Scienze della Terra, Ferrara (Italy); University of Illinois, Department of Physics, Urbana, IL (United States); Gliske, S.; Lorenzon, W. [University of Michigan, Randall Laboratory of Physics, Ann Arbor, MI (United States); Imazu, Y.; Miyachi, Y.; Shibata, T.A. [Tokyo Institute of Technology, Department of Physics, Tokyo (Japan); Jackson, H.E.; Reimer, P.E. [Argonne National Laboratory, Physics Division, Argonne, IL (United States); Joosten, S.; Lopez Ruiz, A.; Ryckbosch, D.; Tytgat, M.; Van Haarlem, Y. [Ghent University, Department of Physics and Astronomy, Ghent (Belgium); Kozlov, V.; Terkulov, A. [Lebedev Physical Institute, Moscow (Russian Federation); Kravchenko, P. [Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (Germany); B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad Region (Russian Federation); Krivokhijine, V.G.; Shutov, V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Lapikas, L.; Steijger, J.J.M. [National Institute for Subatomic Physics (Nikhef), Amsterdam (Netherlands); Ma, B.Q.; Mao, Y.; Wang, S. [Peking University, School of Physics, Beijing (China); Makins, N.C.R.; Truty, R. [University of Illinois, Department of Physics, Urbana, IL (United States); Mussgiller, A.; Yaschenko, S. [DESY, Hamburg (Germany); Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (Germany); Nass, A.; Rith, K. [Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (Germany); Riedl, C. [DESY, Zeuthen (Germany); University of Illinois, Department of Physics, Urbana, IL (United States); Rubin, J. [University of Illinois, Department of Physics, Urbana, IL (United States); University of Michigan, Randall Laboratory of Physics, Ann Arbor, MI (United States); Schaefer, A. [Universitaet Regensburg, Institut fuer Theoretische Physik, Regensburg (Germany); Schnell, G. [University of the Basque Country UPV/EHU, Department of Theoretical Physics, Bilbao (Spain); IKERBASQUE, Basque Foundation for Science, Bilbao (Spain); Ghent University, Department of Physics and Astronomy, Ghent (Belgium); Van Hulse, C. [University of the Basque Country UPV/EHU, Department of Theoretical Physics, Bilbao (Spain); Ghent University, Department of Physics and Astronomy, Ghent (Belgium); Collaboration: HERMES Collaboration
2015-08-15
Bose-Einstein correlations of like-sign charged hadrons produced in deep-inelastic electron and positron scattering are studied in the HERMES experiment using nuclear targets of {sup 1}H, {sup 2}H, {sup 3}He, {sup 4}He, N, Ne, Kr, and Xe. A Gaussian approach is used to parametrize a two-particle correlation function determined from events with at least two charged hadrons of the same sign charge. This correlation function is compared to two different empirical distributions that do not include the Bose-Einstein correlations. One distribution is derived from unlike-sign hadron pairs, and the second is derived from mixing like-sign pairs from different events. The extraction procedure used simulations incorporating the experimental setup in order to correct the results for spectrometer acceptance effects, and was tested using the distribution of unlike-sign hadron pairs. Clear signals of Bose-Einstein correlations for all target nuclei without a significant variation with the nuclear target mass are found. Also, no evidence for a dependence on the invariant mass W of the photon-nucleon system is found when the results are compared to those of previous experiments. (orig.)
Directory of Open Access Journals (Sweden)
Kirsten M. Ø. Jensen
2015-09-01
Full Text Available By means of normal-incidence, high-flux and high-energy X-rays, total scattering data for pair distribution function (PDF analysis have been obtained from thin films (tf, suitable for local structure analysis. By using amorphous substrates as support for the films, the standard Rapid Acquisition PDF setup can be applied and the scattering signal from the film can be isolated from the total scattering data through subtraction of an independently measured background signal. No angular corrections to the data are needed, as would be the case for grazing incidence measurements. The `tfPDF' method is illustrated through studies of as-deposited (i.e. amorphous and crystalline FeSb3 films, where the local structure analysis gives insight into the stabilization of the metastable skutterudite FeSb3 phase. The films were prepared by depositing ultra-thin alternating layers of Fe and Sb, which interdiffuse and after annealing crystallize to form the FeSb3 structure. The tfPDF data show that the amorphous precursor phase consists of corner-sharing FeSb6 octahedra with motifs highly resembling the local structure in crystalline FeSb3. Analysis of the amorphous structure allows the prediction of whether the final crystalline product will form the FeSb3 phase with or without excess Sb present. The study thus illustrates how analysis of the local structure in amorphous precursor films can help to understand crystallization processes of metastable phases and opens for a range of new local structure studies of thin films.
High-Precision Differential Predictions for Top-Quark Pairs at the LHC.
Czakon, Michal; Heymes, David; Mitov, Alexander
2016-02-26
We present the first complete next-to-next-to-leading order (NNLO) QCD predictions for differential distributions in the top-quark pair production process at the LHC. Our results are derived from a fully differential partonic Monte Carlo calculation with stable top quarks which involves no approximations beyond the fixed-order truncation of the perturbation series. The NNLO corrections improve the agreement between existing LHC measurements [V. Khachatryan et al. (CMS Collaboration), Eur. Phys. J. C 75, 542 (2015)] and standard model predictions for the top-quark transverse momentum distribution, thus helping alleviate one long-standing discrepancy. The shape of the top-quark pair invariant mass distribution turns out to be stable with respect to radiative corrections beyond NLO which increases the value of this observable as a place to search for physics beyond the standard model. The results presented here provide essential input for parton distribution function fits, implementation of higher-order effects in Monte Carlo generators, as well as top-quark mass and strong coupling determination.
International Nuclear Information System (INIS)
Ohyama, Ryuhichi; Takahashi, Masashi; Takeda, Masuo
2005-01-01
We have measured 121 Sb Moessbauer spectra at 20 K for 52 compounds of antimony(III). An Sb(III) atom with the electron configuration [Kr] 4d 10 5s 2 has a lone pair electrons. The stereochemical property of the lone pair has been found to depend very much on the kinds of atoms surrounding the antimony atom and the configurations of the coordinating atoms.
Phospholipid analogue distributions of Iranian isolates of candida
International Nuclear Information System (INIS)
Zarei Mahmoudabadi, A.; Brucker, D.B.
2004-01-01
The aim of this study was to analyse polar lipids of candida species isolated from Ahwas (Iran) by fast Atom bombardment mass spectrometry . Nine isolates of Candida Sp. were identified by growth at 45 d ig c , production of chlamydoconidia on cornmeal agar, colonial colour on CHROMagar Candida, germ tube production and ID 32 C kits. Then polar lipids were extracted from freeze-dried cultures and analysed using Fast Atom Bombardment Mass Spectrometry. The most intense carboxylate and phospholipid molecular species anions were of m/z 281 (C 1 8 : 1 ) and m/z 515 (PA 23:2). However, the most intense carboxylate and phospholipid analogues in Candida Parapsilosis were 292 (Un) and 555 (PA 26:3), which differed from other yeasts. Isolates were grouped by single linkage clustering based on correlation coefficient for strain pairs calculated with carboxylate and phospholipid molecular species distributions. Fast Atom Bombardment Mass Spectrometry can differentiate the C. albicans based on analysis of polar lipid distributions.These findings support that differentiation between C. albicans and other species is possible based on polar lipids
Positivity of time-frequency distribution functions
Janssen, A.J.E.M.
1988-01-01
This paper deals with the question how various 'natural' conditions posed on time-frequency distribution functions prevent them to be nonnegative everywhere for all signals. The attention is restricted mainly to distribution functions that involve the signal bilinearly. This paper summarizes and
Trapped atoms along nanophotonic resonators
Fields, Brian; Kim, May; Chang, Tzu-Han; Hung, Chen-Lung
2017-04-01
Many-body systems subject to long-range interactions have remained a very challenging topic experimentally. Ultracold atoms trapped in extreme proximity to the surface of nanophotonic structures provides a dynamic system combining the strong atom-atom interactions mediated by guided mode photons with the exquisite control implemented with trapped atom systems. The hybrid system promises pair-wise tunability of long-range interactions between atomic pseudo spins, allowing studies of quantum magnetism extending far beyond nearest neighbor interactions. In this talk, we will discuss our current status developing high quality nanophotonic ring resonators, engineered on CMOS compatible optical chips with integrated nanostructures that, in combination with a side illuminating beam, can realize stable atom traps approximately 100nm above the surface. We will report on our progress towards loading arrays of cold atoms near the surface of these structures and studying atom-atom interaction mediated by photons with high cooperativity.
Goldstone mode and pair-breaking excitations in atomic Fermi superfluids
Hoinka, Sascha; Dyke, Paul; Lingham, Marcus G.; Kinnunen, Jami J.; Bruun, Georg M.; Vale, Chris J.
2017-10-01
Spontaneous symmetry breaking is a central paradigm of elementary particle physics, magnetism, superfluidity and superconductivity. According to Goldstone's theorem, phase transitions that break continuous symmetries lead to the existence of gapless excitations in the long-wavelength limit. These Goldstone modes can become the dominant low-energy excitation, showing that symmetry breaking has a profound impact on the physical properties of matter. Here, we present a comprehensive study of the elementary excitations in a homogeneous strongly interacting Fermi gas through the crossover from a Bardeen-Cooper-Schrieffer (BCS) superfluid to a Bose-Einstein condensate (BEC) of molecules using two-photon Bragg spectroscopy. The spectra exhibit a discrete Goldstone mode, associated with the broken-symmetry superfluid phase, as well as pair-breaking single-particle excitations. Our techniques yield a direct determination of the superfluid pairing gap and speed of sound in close agreement with strong-coupling theories.
Distribution function of dark matter
International Nuclear Information System (INIS)
Evans, N. Wyn; An, Jin H.
2006-01-01
There is good evidence from N-body simulations that the velocity distribution in the outer parts of halos is radially anisotropic, with the kinetic energy in the radial direction roughly equal to the sum of that in the two tangential directions. We provide a simple algorithm to generate such cosmologically important distribution functions. Introducing r E (E), the radius of the largest orbit of a particle with energy E, we show how to write down almost trivially a distribution function of the form f(E,L)=L -1 g(r E ) for any spherical model - including the 'universal' halo density law (Navarro-Frenk-White profile). We in addition give the generic form of the distribution function for any model with a local density power-law index α and anisotropy parameter β and provide limiting forms appropriate for the central parts and envelopes of dark matter halos. From those, we argue that, regardless of the anisotropy, the density falloff at large radii must evolve to ρ∼r -4 or steeper ultimately
Atomic charges of sulfur in ionic liquids: experiments and calculations.
Fogarty, Richard M; Rowe, Rebecca; Matthews, Richard P; Clough, Matthew T; Ashworth, Claire R; Brandt, Agnieszka; Corbett, Paul J; Palgrave, Robert G; Smith, Emily F; Bourne, Richard A; Chamberlain, Thomas W; Thompson, Paul B J; Hunt, Patricia A; Lovelock, Kevin R J
2017-12-14
Experimental near edge X-ray absorption fine structure (NEXAFS) spectra, X-ray photoelectron (XP) spectra and Auger electron spectra are reported for sulfur in ionic liquids (ILs) with a range of chemical structures. These values provide experimental measures of the atomic charge in each IL and enable the evaluation of the suitability of NEXAFS spectroscopy and XPS for probing the relative atomic charge of sulfur. In addition, we use Auger electron spectroscopy to show that when XPS binding energies differ by less than 0.5 eV, conclusions on atomic charge should be treated with caution. Our experimental data provides a benchmark for calculations of the atomic charge of sulfur obtained using different methods. Atomic charges were computed for lone ions and ion pairs, both in the gas phase (GP) and in a solvation model (SMD), with a wide range of ion pair conformers considered. Three methods were used to compute the atomic charges: charges from the electrostatic potential using a grid based method (ChelpG), natural bond orbital (NBO) population analysis and Bader's atoms in molecules (AIM) approach. By comparing the experimental and calculated measures of the atomic charge of sulfur, we provide an order for the sulfur atoms, ranging from the most negative to the most positive atomic charge. Furthermore, we show that both ChelpG and NBO are reasonable methods for calculating the atomic charge of sulfur in ILs, based on the agreement with both the XPS and NEXAFS spectroscopy results. However, the atomic charges of sulfur derived from ChelpG are found to display significant, non-physical conformational dependence. Only small differences in individual atomic charge of sulfur were observed between lone ion (GP) and ion pair IL(SMD) model systems, indicating that ion-ion interactions do not strongly influence individual atomic charges.
Measurement of Spectral Functions of Ultracold Atoms in Disordered Potentials
Volchkov, Valentin V.; Pasek, Michael; Denechaud, Vincent; Mukhtar, Musawwadah; Aspect, Alain; Delande, Dominique; Josse, Vincent
2018-02-01
We report on the measurement of the spectral functions of noninteracting ultracold atoms in a three-dimensional disordered potential resulting from an optical speckle field. Varying the disorder strength by 2 orders of magnitude, we observe the crossover from the "quantum" perturbative regime of low disorder to the "classical" regime at higher disorder strength, and find an excellent agreement with numerical simulations. The method relies on the use of state-dependent disorder and the controlled transfer of atoms to create well-defined energy states. This opens new avenues for experimental investigations of three-dimensional Anderson localization.
Transverse spin effects in hadron-pair production from semi-inclusive deep inelastic scattering
Czech Academy of Sciences Publication Activity Database
Adolph, C.; Alekseev, M.; Alexakhin, V. Yu.; Alexandrov, Yu.; Alexeev, G. D.; Amoroso, A.; Antonov, A. A.; Austregisilio, A.; Badelek, B.; Balestra, F.; Barth, J.; Baum, G.; Bedfer, Y.; Bernhard, J.; Bertini, R.; Bettinelli, M.; Bicker, K.; Bieling, J.; Birsa, R.; Bisplinghoff, J.; Bordalo, P.; Bradamante, F.; Braun, C.; Bravar, A.; Bressan, A.; Burtin, E.; Chaberny, D.; Chiosso, M.; Chung, S.U.; Cicuttin, A.; Crespo, M.; Dalla Torre, S.; Das, S.; Dasgupta, S. S.; Denisov, O.; Dhara, L.; Donskov, S.; Doshita, N.; Duic, V.; Dünnweber, W.; Dziewiecki, M.; Efremov, A.V.; Elia, C.; Eversheim, P.; Eyrich, W.; Faessler, M.; Ferrero, A.; Filin, A.; Finger, M.; Finger jr., M.; Fischer, H.; Franco, C.; Fresne von Hohenesche, N.; Friedrich, J.; Garfagnini, R.; Gautheron, F.; Gavrichtchouk, O.; Gazda, R.; Gerassimov, S.; Geyer, R.; Giorgi, M.; Gnesi, I.; Gobbo, B.; Goertz, S.; Grabmüller, S.; Grasso, A.; Grube, B.; Gushterski, R.; Guskov, A.; Guthörl, T.; Haas, F.; von Harrach, D.; Heinsius, F.; Herrmann, F.; Hess, C.; Hinterberger, F.; Horikawa, N.; Höppner, Ch.; d'Hose, N.; Huber, S.; Ishimoto, S.; Ivanov, O.; Ivanshin, Yu.; Iwata, T.; Jahn, R.; Jasinski, P.; Joosten, R.; Kabuss, E.; Kang, D.; Ketzer, B.; Khaustov, G.; Khokhlov, Y.; Kisselev, Y.; Klein, F.; Klimaszewski, K.; Koblitz, S.; Koivuniemi, J.; Kolosov, V.; Kondo, K.; Königsmann, K.; Konorov, I.; Konstantinov, V.; Korzenev, A.; Kotzinian, A.; Kouznetsov, O.; Krämer, M.; Kroumchtein, Z.; Kunne, F.; Kurek, K.; Lauser, L.; Lednev, A.; Lehmann, A.; Levorato, S.; Lichtenstadt, J.; Maggiora, A.; Magnon, A.; Makke, N.; Mallot, G.; Mann, A.; Marchand, C.; Martin, A.; Marzec, J.; Massmann, F.; Matsuda, T.; Meyer, W.; Michigami, T.; Mielech, A.; Mikhailov, Y.; Moinester, M.; Morreale, A.; Mutter, A.; Nagaytsev, A.; Nagel, T.; Negrini, T.; Nerling, F.; Neubert, S.; Neyret, D.; Nikolaenko, V.; Nowak, W. D.; Nunes, A.S.; Olshevsky, A.; Ostrick, M.; Padee, A.; Panknin, R.; Panzieri, D.; Parsamyan, B.; Paul, S.; Perevalova, E.; Pesaro, G.; Peshekhonov, D.; Piragino, G.; Platchkov, S.; Pochodzalla, J.; Polak, J.; Polyakov, V.; Pontecorvo, G.; Pretz, J.; Quaresma, M.; Quintans, C.; Rajotte, J.; Ramos, S.; Rapatsky, V.; Reicherz, G.; Richter, A.; Rocco, E.; Rondio, E.; Rossiyskaya, N. S.; Ryabchikov, D.; Samoylenko, V.; Sandacz, A.; Sapozhnikov, M.; Sarkar, S.; Savin, I.; Sbrizzai, G.; Schiavon, P.; Schill, C.; Schlütter, T.; Schmidt, K.; Schmitt, L.; Schönning, K.; Schopferer, S.; Schott, M.; Shevchenko, O.; Silva, L.; Sinha, L.; Sissakian, A.; Slunecka, M.; Smirnov, G.; Sosio, S.; Sozzi, F.; Srnka, Aleš; Stolarski, M.; Sulc, M.; Sulej, R.; Sznajder, P.; Takekawa, S.; Ter Wolbeek, J.; Tessaro, S.; Tessarotto, F.; Tkatchev, L.; Uhl, S.; Uman, I.; Vandenbroucke, M.; Virius, M.; Vlassov, N.; Vossen, A.; Wang, L.; Windmolders, R.; Wislicki, W.; Wollny, H.; Zaremba, K.; Zavertyaev, M.; Zemlyanichkina, E.; Ziembicki, M.; Zhuravlev, N.; Zvyagin, A.
2012-01-01
Roč. 713, č. 1 (2012), s. 10-16 ISSN 0370-2693 Institutional support: RVO:68081731 Keywords : ODD parton distributions * fragmentation functions * nucleons Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 4.569, year: 2012
Cui, S. T.
The stress-stress correlation function and the viscosity of a united-atom model of liquid decane are studied by equilibrium molecular dynamics simulation using two different formalisms for the stress tensor: the atomic and the molecular formalisms. The atomic and molecular correlation functions show dramatic difference in short-time behaviour. The integrals of the two correlation functions, however, become identical after a short transient period whichis significantly shorter than the rotational relaxation time of the molecule. Both reach the same plateau value in a time period corresponding to this relaxation time. These results provide a convenient guide for the choice of the upper integral time limit in calculating the viscosity by the Green-Kubo formula.
Atomic absorption instrument functional description
International Nuclear Information System (INIS)
Bystroff, R.I.; Boyle, W.G. Jr.; Barton, G.W. Jr.
1976-01-01
This report describes a proposed system for automating atomic absorption analysis. The system consists of two atomic absorption instruments and an automatic sampler that can be attached to either instrument. A computer program controls the sampling and gathers data. The program then uses the data to perform bookkeeping, data processing, and report writing
Asymptotic numbers, asymptotic functions and distributions
International Nuclear Information System (INIS)
Todorov, T.D.
1979-07-01
The asymptotic functions are a new type of generalized functions. But they are not functionals on some space of test-functions as the distributions of Schwartz. They are mappings of the set denoted by A into A, where A is the set of the asymptotic numbers introduced by Christov. On its part A is a totally-ordered set of generalized numbers including the system of real numbers R as well as infinitesimals and infinitely large numbers. Every two asymptotic functions can be multiplied. On the other hand, the distributions have realizations as asymptotic functions in a certain sense. (author)
Filinov, A.; Bonitz, M.; Loffhagen, D.
2018-06-01
A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The combined model is based on a classification of all atom trajectories according to their energies into trapped, quasi-trapped and scattering states. The number of particles in each of the three classes obeys coupled rate equations. The coefficients in the rate equations are the transition probabilities between these states which are obtained from MD simulations. While these rates are generally time-dependent, after a characteristic time scale t E of several tens of picoseconds they become stationary allowing for a rather simple analysis. Here, we investigate this time scale by analyzing in detail the temporal evolution of the energy distribution functions of the adsorbate atoms. We separately study the energy loss distribution function of the atoms and the distribution function of in-plane and perpendicular energy components. Further, we compute the sticking probability of argon atoms as a function of incident energy, angle and lattice temperature. Our model is important for plasma-surface modeling as it allows to extend accurate simulations to longer time scales.
The latest results on top quark pair cross-section measurement at the LHC-ATLAS experiment
Yamauchi, Katsuya; The ATLAS collaboration
2015-01-01
The latest results on top quark pair production cross-section measurement in proton-proton collisions at $\\sqrt{s}$ = 7\\,TeV and $\\sqrt{s}$ = 8\\,TeV with the ATLAS detector are reported. The inclusive cross-section was measured with relative uncertainty of 4\\% using the final state of the top quark pair including an electron and a muon. The measurement of the differential cross-section as functions of various observables such as the transverse momentum and the rapidity of the top quark and the invariant mass of the top quark pair system are also reported. These results are compared with various generators such as {\\sc Powheg}, {\\sc Alpgen} and {\\sc MC@NLO} and various sets of parton distribution functions.
Hadronic production of massive lepton pairs
International Nuclear Information System (INIS)
Berger, E.L.
1982-12-01
A review is presented of recent experimental and theoretical progress in studies of the production of massive lepton pairs in hadronic collisions. I begin with the classical Drell-Yan annihilation model and its predictions. Subsequently, I discuss deviations from scaling, the status of the proofs of factorization in the parton model, higher-order terms in the perturbative QCD expansion, the discrepancy between measured and predicted yields (K factor), high-twist terms, soft gluon effects, transverse-momentum distributions, implications for weak vector boson (W +- and Z 0 ) yields and production properties, nuclear A dependence effects, correlations of the lepton pair with hadrons in the final state, and angular distributions in the lepton-pair rest frame
Energy Technology Data Exchange (ETDEWEB)
Yourshaw, Ivan [Univ. of California, Berkeley, CA (United States)
1998-07-09
The diatomic halogen atom-rare gas diatomic complexes KrBr^{-}, XeBr^{-}, and KrCl^{-} are studied in this work by zero electron kinetic energy (ZEKE) spectroscopy in order to characterize the weak intermolecular diatomic potentials of these species. Also, the ZEKE and threshold photodetachment spectra of the polyatomic clusters Ar_{n}Br^{-} (n = 2-9) and Ar_{n}I^{-} (n = 2-19) are studied to obtain information about the non-additive effects on the interactions among the atoms. This work is part of an ongoing effort to characterize the pair and many-body potentials of the complete series of rare gas halide clusters. In these studies we obtain information about both the anionic and neutral clusters.
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)
CO tip functionalization in subatomic resolution atomic force microscopy
International Nuclear Information System (INIS)
Kim, Minjung; Chelikowsky, James R.
2015-01-01
Noncontact atomic force microscopy (nc-AFM) employing a CO-functionalized tip displays dramatically enhanced resolution wherein covalent bonds of polycyclic aromatic hydrocarbon can be imaged. Employing real-space pseudopotential first-principles calculations, we examine the role of CO in functionalizing the nc-AFM tip. Our calculations allow us to simulate full AFM images and ascertain the enhancement mechanism of the CO molecule. We consider two approaches: one with an explicit inclusion of the CO molecule and one without. By comparing our simulations to existing experimental images, we ascribe the enhanced resolution of the CO functionalized tip to the special orbital characteristics of the CO molecule
Pair-flowered cymes in the Lamiales: structure, distribution and origin
Weber, Anton
2013-01-01
Background and Aims In the Lamiales, indeterminate thyrses (made up of axillary cymes) represent a significant inflorescence type. However, it has been largely overlooked that there occur two types of cymes: (1) ordinary cymes, and (2) ‘pair-flowered cymes’ (PFCs), with a flower pair (terminal and front flower) topping each cyme unit. PFCs are unique to the Lamiales and their distribution, origin and phylogeny are not well understood. Methods The Lamiales are screened as to the occurrence of PFCs, ordinary cymes and single flowers (constituting racemic inflorescences). Key Results PFCs are shown to exhibit a considerable morphological and developmental diversity and are documented to occur in four neighbouring taxa of Lamiales: Calceolariaceae, Sanango, Gesneriaceae and Plantaginaceae. They are omnipresent in the Calceolariaceae and almost so in the Gesneriaceae. In the Plantaginaceae, PFCs are restricted to the small sister tribes Russelieae and Cheloneae (while the large remainder has single flowers in the leaf/bract axils; ordinary cymes do not occur). Regarding the origin of PFCs, the inflorescences of the genus Peltanthera (unplaced as to family; sister to Calceolariaceae, Sanango and Gesneriaceae in most molecular phylogenies) support the idea that PFCs have originated from paniculate systems, with the front-flowers representing remnant flowers. Conclusions From the exclusive occurrence of PFCs in the Lamiales and the proximity of the respective taxa in molecular phylogenies it may be expected that PFCs have originated once, representing a synapomorphy for this group of taxa and fading out within the Plantaginaceae. However, molecular evidence is ambiguous. Depending on the position of Peltanthera (depending in turn on the kind and number of genes and taxa analysed) a single, a double (the most probable scenario) or a triple origin appears conceivable. PMID:23884395
Recoil effects in multiphoton electron-positron pair creation
International Nuclear Information System (INIS)
Krajewska, K.; Kaminski, J. Z.
2010-01-01
Triply differential probability rates for electron-positron pair creation in laser-nucleus collisions, calculated within the S-matrix approach, are investigated as functions of the nuclear recoil. Pronounced enhancements of differential probability rates of multiphoton pair production are found for a nonzero momentum transfer from the colliding nucleus. The corresponding rates show a very dramatic dependence on the polarization of the laser field impinging on the nucleus; only for a linearly polarized light are the multiphoton rates for electron-positron pair production considerably large. We focus therefore on this case. Our numerical results for different geometries of the reaction particles demonstrate that, for the linearly polarized laser field of an infinite extent (which is a good approximation for femtosecond laser pulses), the pair creation is far more efficient if the nucleus is detected in the direction of the laser-field propagation. The corresponding angular distributions of the created particles show that the high-energy pairs are predominantly produced in the plane spanned by the polarization vector and the laser-field propagation direction, while the low-energy pairs are rather spread around the latter of the two directions. The enhancement of differential probability rates at each energy sector, defined by the four-momentum conservation relation, is observed with varying the energy of the produced particles. The total probability rates of pair production are also evaluated and compared with the corresponding results for the case when one disregards the recoil effect. A tremendous enhancement of the total probability rates of the electron-positron pair creation is observed if one takes into account the nuclear recoil.
On the distribution functions in the quantum mechanics and Wigner functions
International Nuclear Information System (INIS)
Kuz'menkov, L.S.; Maksimov, S.G.
2002-01-01
The problem on the distribution functions, leading to the similar local values of the particles number, pulse and energy, as in the quantum mechanics, is formulated and solved. The method is based on the quantum-mechanical determination of the probability density. The derived distribution function coincides with the Wigner function only for the spatial-homogeneous systems. The Bogolyubov equations chain, the Liouville equation for the distribution quantum functions by any number of particles in the system, the general expression for the tensor of the dielectric permittivity of the plasma electron component are obtained [ru
Three-dimensional analysis of Eu dopant atoms in Ca-α-SiAlON via through-focus HAADF-STEM imaging
Energy Technology Data Exchange (ETDEWEB)
Saito, Genki, E-mail: genki@eng.hokudai.ac.jp; Yamaki, Fuuta; Kunisada, Yuji; Sakaguchi, Norihito; Akiyama, Tomohiro
2017-04-15
Highlights: • Through-focus HAADF-STEM imaging was studied. • Spatial distribution of Eu atoms in Ca-α-SiAlON was analyzed. • A large convergence semi-angle increased the depth resolution. • The radial distribution function of Eu dopants was analyzed. - Abstract: Three-dimensional (3D) distributional analysis of individual dopant atoms in materials is important to development of optical, electronic, and magnetic materials. In this study, we adopted through-focus high-angle annular dark-field (HAADF) imaging for 3D distributional analysis of Eu dopant atoms in Ca-α-SiAlON phosphors. In this context, the effects of convergence semi-angle and Eu z-position on the HAADF image contrast were investigated. Multi-slice image simulation revealed that the contrast of the dopant site was sensitive to change of the defocus level. When the defocus level matched the depth position of a Eu atom, the contrast intensity was significantly increased. The large convergence semi-angle greatly increased the depth resolution because the electron beam tends spread instead of channeling along the atomic columns. Through-focus HAADF-STEM imaging was used to analyze the Eu atom distribution surrounding 10 nm cubes with defocus steps of 0.68 nm each. The contrast depth profile recorded with a narrow step width clearly analyzed the possible depth positions of Eu atoms. The radial distribution function obtained for the Eu dopants was analyzed using an atomic distribution model that was based on the assumption of random distribution. The result suggested that the Ca concentration did not affect the Eu distribution. The decreased fraction of neighboring Eu atoms along z-direction might be caused by the enhanced short-range Coulomb-like repulsive forces along the z-direction.
Atomic motion in a high-intensity standing wave laser field
International Nuclear Information System (INIS)
Saez Ramdohr, L.F.
1987-01-01
This work discusses the effect of a high-intensity standing wave laser field on the motion of neutral atoms moving with a relatively high velocity. The analysis involves a detailed calculation of the force acting on the atoms and the calculation of the diffusion tensor associated with the fluctuations of the quantum force operator. The high-intensity laser field limit corresponds to a Rabi frequency much greater than the natural rate of the atom. The general results are valid for any atomic velocity. Results are then specialized to the case of slow and fast atoms where the Doppler shift of the laser frequency due to the atomic motion is either smaller or larger than the natural decay rate of the atom. The results obtained for the force and diffusion tensor are applied to a particular ideal experiment that studies the evolution of a fast atomic beam crossing a high-intensity laser beam. The theories developed previously, for a similar laser configuration, discuss only the low atomic velocities case and not the more realistic case of fast atoms. Here, an approximate solution of the equation for the distribution is obtained. Starting from the approximate distribution function, the deflection angle and dispersion angle for the atomic beam with respect to the free motion are calculated
International Nuclear Information System (INIS)
Moll, Nikolaj; Gross, Leo; Mohn, Fabian; Curioni, Alessandro; Meyer, Gerhard
2010-01-01
By functionalizing the tip of an atomic force microscope (AFM) with a molecule or an atom that significantly contributes to the tip-sample interaction, the resolution can be dramatically enhanced. The interaction and therefore the resolution crucially depend on the chemical nature of the tip termination. Employing a tip functionalized with a CO molecule, atomic resolution of a pentacene molecule was recently demonstrated. In this work, the interaction between the CO tip and the pentacene imaged are studied with first principles calculations. The calculated frequency shifts compare very well with the experiment. The different energy contributions are analyzed and the Pauli energy is computed. We demonstrate that the source of the high resolution is Pauli repulsion, whereas van der Waals and electrostatic interactions only add a diffuse attractive background.
Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere
Kharchenko, Vasili; Dalgarno, A.
2005-01-01
This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.
Linear response calculation using the canonical-basis TDHFB with a schematic pairing functional
International Nuclear Information System (INIS)
Ebata, Shuichiro; Nakatsukasa, Takashi; Yabana, Kazuhiro
2011-01-01
A canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory is obtained with an approximation that the pair potential is assumed to be diagonal in the time-dependent canonical basis. The canonical-basis formulation significantly reduces the computational cost. We apply the method to linear-response calculations for even-even nuclei. E1 strength distributions for proton-rich Mg isotopes are systematically calculated. The calculation suggests strong Landau damping of giant dipole resonance for drip-line nuclei.
Peng, Hui; Lan, Chaowang; Zheng, Yi; Hutvagner, Gyorgy; Tao, Dacheng; Li, Jinyan
2017-03-24
MicroRNAs always function cooperatively in their regulation of gene expression. Dysfunctions of these co-functional microRNAs can play significant roles in disease development. We are interested in those multi-disease associated co-functional microRNAs that regulate their common dysfunctional target genes cooperatively in the development of multiple diseases. The research is potentially useful for human disease studies at the transcriptional level and for the study of multi-purpose microRNA therapeutics. We designed a computational method to detect multi-disease associated co-functional microRNA pairs and conducted cross disease analysis on a reconstructed disease-gene-microRNA (DGR) tripartite network. The construction of the DGR tripartite network is by the integration of newly predicted disease-microRNA associations with those relationships of diseases, microRNAs and genes maintained by existing databases. The prediction method uses a set of reliable negative samples of disease-microRNA association and a pre-computed kernel matrix instead of kernel functions. From this reconstructed DGR tripartite network, multi-disease associated co-functional microRNA pairs are detected together with their common dysfunctional target genes and ranked by a novel scoring method. We also conducted proof-of-concept case studies on cancer-related co-functional microRNA pairs as well as on non-cancer disease-related microRNA pairs. With the prioritization of the co-functional microRNAs that relate to a series of diseases, we found that the co-function phenomenon is not unusual. We also confirmed that the regulation of the microRNAs for the development of cancers is more complex and have more unique properties than those of non-cancer diseases.
A pair of biorthogonal polynomials for the Szegö-Hermite weight function
Directory of Open Access Journals (Sweden)
N. K. Thakare
1988-01-01
Full Text Available A pair of polynomial sequences {Snμ(x;k} and {Tmμ(x;k} where Snμ(x;k is of degree n in xk and Tmμ(x;k is of degree m in x, is constructed. It is shown that this pair is biorthogonal with respect to the Szegö-Hermite weight function |x|2μexp(−x2, (μ>−1/2 over the interval (−∞,∞ in the sense that∫−∞∞|x|2μexp(−x2Snμ(x;kTmμ(x;kdx=0, ifm≠n ≠0, ifm=nwhere m,n=0,1,2,… and k is an odd positive integer.
Free-Space Quantum Key Distribution with a High Generation Rate KTP Waveguide Photon-Pair Source
Wilson, J.; Chaffee, D.; Wilson, N.; Lekki, J.; Tokars, R.; Pouch, J.; Lind, A.; Cavin, J.; Helmick, S.; Roberts, T.;
2016-01-01
NASA awarded Small Business Innovative Research (SBIR) contracts to AdvR, Inc to develop a high generation rate source of entangled photons that could be used to explore quantum key distribution (QKD) protocols. The final product, a photon pair source using a dual-element periodically- poled potassium titanyl phosphate (KTP) waveguide, was delivered to NASA Glenn Research Center in June of 2015. This paper describes the source, its characterization, and its performance in a B92 (Bennett, 1992) protocol QKD experiment.
Experimental Investigation of the Dispersion of Liquids by Ejection Atomizers
Arkhipov, V. A.; Bondarchuk, S. S.; Evsevleev, M. Ya.; Zharova, I. K.; Zhukov, A. S.; Zmanovskii, S. V.; Kozlov, E. A.; Konovalenko, A. I.; Trofimov, V. F.
2013-11-01
This paper presents the results of an experimental investigation of the dispersivity of liquid droplets in the spray cone of ejection atomizers. The calculational droplet size distribution function was measured by the method of low angles of the probe laser radiation scattering indicatrix on a pneumohydraulic bench under cold blow conditions. The efficiency of the proposed circuit designs of atomizers has been analyzed.
Quantum ratchets for periodically kicked cold atoms and Bose-Einstein condensates
Energy Technology Data Exchange (ETDEWEB)
Casati, Giulio [Center for Nonlinear and Complex Systems, Universita degli Studi dell' Insubria and Istituto Nazionale per la Fisica della Materia, Unita di Como, Via Valleggio 11, 22100 Como (Italy); Poletti, Dario [Center for Nonlinear and Complex Systems, Universita degli Studi dell' Insubria and Istituto Nazionale per la Fisica della Materia, Unita di Como, Via Valleggio 11, 22100 Como (Italy)
2007-05-15
We study cold atoms and Bose-Einstein condensates exposed to time-dependent standing waves of light. We first discuss a quantum chaotic dissipative ratchet using the method of quantum trajectories. This system is characterized by directed transport emerging from a quantum strange attractor. We then present a very simple model of directed transport with cold atoms in a pair of periodically flashed optical lattices. Finally we study the dynamics of a dilute Bose-Einstein condensate confined in a toroidal trap and exposed to a pair of periodically flashed optical lattices. We show that the many-body atom-atom interactions, treated within the mean-field approximation, can generate directed transport.
Towards Long-Distance Atom-Photon Entanglement
International Nuclear Information System (INIS)
Rosenfeld, W.; Hocke, F.; Henkel, F.; Krug, M.; Volz, J.; Weber, M.; Weinfurter, H.
2008-01-01
We report the observation of entanglement between a single trapped atom and a single photon at remote locations. The degree of coherence of the entangled atom-photon pair is verified via appropriate local correlation measurements, after communicating the photon via an optical fiber link of 300 m length to a receiver 3.5 m apart. In addition, we measured the temporal evolution of the atomic density matrix after projecting the atom via a state measurement of the photon onto several well-defined spin states. We find that the state of the single atom dephases on a time scale of 150 μs, which represents an important step towards long-distance quantum networking with individual neutral atoms
Experimental many-pairs nonlocality
Poh, Hou Shun; Cerè, Alessandro; Bancal, Jean-Daniel; Cai, Yu; Sangouard, Nicolas; Scarani, Valerio; Kurtsiefer, Christian
2017-08-01
Collective measurements on large quantum systems together with a majority voting strategy can lead to a violation of the Clauser-Horne-Shimony-Holt Bell inequality. In the presence of many entangled pairs, this violation decreases quickly with the number of pairs and vanishes for some critical pair number that is a function of the noise present in the system. Here we show that a different binning strategy can lead to a more substantial Bell violation when the noise is sufficiently small. Given the relation between the critical pair number and the source noise, we then present an experiment where the critical pair number is used to quantify the quality of a high visibility photon pair source. Our results demonstrate nonlocal correlations using collective measurements operating on clusters of more than 40 photon pairs.
Correlations between interacting Rydberg atoms
DEFF Research Database (Denmark)
Paris-Mandoki, Asaf; Braun, Christoph; Hofferberth, Sebastian
2018-01-01
This paper is a short introduction to Rydberg physics and quantum nonlinear optics using Rydberg atoms. It has been prepared as a compliment to a series of lectures delivered during the Latin American School of Physics "Marcos Moshinsky" 2017. We provide a short introduction to the properties...... of individual Rydberg atoms and discuss in detail how the interaction potential between Rydberg atom pairs is calculated. We then discuss how this interaction gives rise to the Rydberg blockade mechanism. With the aid of hallmark experiments in the field applications of the blockade for creating correlated...
A pure Hubbard model with demonstrable pairing adjacent to the Mott-insulating phase
International Nuclear Information System (INIS)
Champion, J D; Long, M W
2003-01-01
We introduce a Hubbard model on a particular class of geometries, and consider the effect of doping the highly spin-degenerate Mott-insulating state with a microscopic number of holes in the extreme strong-coupling limit. The geometry is quite general, with pairs of atomic sites at each superlattice vertex, and a highly frustrated inter-atomic connectivity: the one-dimensional realization is a chain of edge-sharing tetrahedra. The sole model parameter is the ratio of intra-pair to inter-pair hopping matrix elements. If the intra-pair hopping is negligible then introducing a microscopic number of holes results in a ferromagnetic Nagaoka groundstate. Conversely, if the intra-pair hopping is comparable with the inter-pair hopping then the groundstate is low spin with short-ranged spin correlations. We exactly solve the correlated motion of a pair of holes in such a state and find that, in 1d and 2d, they form a bound pair on a length scale that increases with diminishing binding energy. This result is pertinent to the long-standing problem of hole motion in the CuO 2 planes of the high-temperature superconductors: we have rigorously shown that, on our frustrated geometry, the holes pair up and a short-ranged low-spin state is generated by hole motion alone
Kinetic theory of beam-induced plasmas generalised to sophisticated atomic structures
International Nuclear Information System (INIS)
Peyraud-Cuenca, Nelly
1987-01-01
We present an analytic kinetic model available for all particle-beam-induced atomic plasmas, without any restriction on the distribution of electronic levels. The method is an iteration of the already known solution available only for the distribution of atomic levels as in the rare gases. We recall a universal atomic kinetic model which, independently of its applications to the study of efficient laser systems, might be a first step in the analytic investigation of molecular problems. Then, the iteration is systematically applied to all possible atomic structures whose number is increased by the non-local character of inelastic processes. We deduce a general analytic representation of the 'tail' of the electron distribution function as a ratio between non-local source terms and a combination of inelastic cross sections, from which we exhibit a physical interpretation and essential scaling laws. The theory is applied to sodium which is an important element in the research of efficient laser systems. (author)
Wohlin, Åsa
2015-03-21
The distribution of codons in the nearly universal genetic code is a long discussed issue. At the atomic level, the numeral series 2x(2) (x=5-0) lies behind electron shells and orbitals. Numeral series appear in formulas for spectral lines of hydrogen. The question here was if some similar scheme could be found in the genetic code. A table of 24 codons was constructed (synonyms counted as one) for 20 amino acids, four of which have two different codons. An atomic mass analysis was performed, built on common isotopes. It was found that a numeral series 5 to 0 with exponent 2/3 times 10(2) revealed detailed congruency with codon-grouped amino acid side-chains, simultaneously with the division on atom kinds, further with main 3rd base groups, backbone chains and with codon-grouped amino acids in relation to their origin from glycolysis or the citrate cycle. Hence, it is proposed that this series in a dynamic way may have guided the selection of amino acids into codon domains. Series with simpler exponents also showed noteworthy correlations with the atomic mass distribution on main codon domains; especially the 2x(2)-series times a factor 16 appeared as a conceivable underlying level, both for the atomic mass and charge distribution. Furthermore, it was found that atomic mass transformations between numeral systems, possibly interpretable as dimension degree steps, connected the atomic mass of codon bases with codon-grouped amino acids and with the exponent 2/3-series in several astonishing ways. Thus, it is suggested that they may be part of a deeper reference system. Copyright © 2015 The Author. Published by Elsevier Ltd.. All rights reserved.
Ma, Ke; Forsman, Jan; Woodward, Clifford E
2015-05-07
We explore the influence of ion pairing in room temperature ionic liquids confined by planar electrode surfaces. Using a coarse-grained model for the aromatic ionic liquid [C4MIM(+)][BF4 (-)], we account for an ion pairing component as an equilibrium associating species within a classical density functional theory. We investigated the resulting structure of the electrical double layer as well as the ensuing surface forces and differential capacitance, as a function of the degree of ion association. We found that the short-range structure adjacent to surfaces was remarkably unaffected by the degree of ion pairing, up to several molecular diameters. This was even the case for 100% of ions being paired. The physical implications of ion pairing only become apparent in equilibrium properties that depend upon the long-range screening of charges, such as the asymptotic behaviour of surface forces and the differential capacitance, especially at low surface potential. The effect of ion pairing on capacitance is consistent with their invocation as a source of the anomalous temperature dependence of the latter. This work shows that ion pairing effects on equilibrium properties are subtle and may be difficult to extract directly from simulations.
Francisco, E.; Pendás, A. Martín; Blanco, M. A.
2008-04-01
Given an N-electron molecule and an exhaustive partition of the real space ( R) into m arbitrary regions Ω,Ω,…,Ω ( ⋃i=1mΩ=R), the edf program computes all the probabilities P(n,n,…,n) of having exactly n electrons in Ω, n electrons in Ω,…, and n electrons ( n+n+⋯+n=N) in Ω. Each Ω may correspond to a single basin (atomic domain) or several such basins (functional group). In the later case, each atomic domain must belong to a single Ω. The program can manage both single- and multi-determinant wave functions which are read in from an aimpac-like wave function description ( .wfn) file (T.A. Keith et al., The AIMPAC95 programs, http://www.chemistry.mcmaster.ca/aimpac, 1995). For multi-determinantal wave functions a generalization of the original .wfn file has been introduced. The new format is completely backwards compatible, adding to the previous structure a description of the configuration interaction (CI) coefficients and the determinants of correlated wave functions. Besides the .wfn file, edf only needs the overlap integrals over all the atomic domains between the molecular orbitals (MO). After the P(n,n,…,n) probabilities are computed, edf obtains from them several magnitudes relevant to chemical bonding theory, such as average electronic populations and localization/delocalization indices. Regarding spin, edf may be used in two ways: with or without a splitting of the P(n,n,…,n) probabilities into α and β spin components. Program summaryProgram title: edf Catalogue identifier: AEAJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAJ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5387 No. of bytes in distributed program, including test data, etc.: 52 381 Distribution format: tar.gz Programming language: Fortran 77 Computer
Complex conjugate poles and parton distributions
International Nuclear Information System (INIS)
Tiburzi, B.C.; Detmold, W.; Miller, G.A.
2003-01-01
We calculate parton and generalized parton distributions in Minkowski space using a scalar propagator with a pair of complex conjugate poles. Correct spectral and support properties are obtained only after careful analytic continuation from Euclidean space. Alternately the quark distribution function can be calculated from modified cutting rules, which put the intermediate state on its complex mass shells. Distribution functions agree with those resulting from the model's Euclidean space double distribution which we calculate via nondiagonal matrix elements of twist-two operators. Thus one can use a wide class of analytic parametrizations of the quark propagator to connect Euclidean space Green functions to light-cone dominated amplitudes
Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura
2015-01-13
Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.
Basset, Jean-Marie
2016-06-09
The design of novel heterogeneous catalysts with multiple adjacent functionalities is of high interest for heterogeneous catalysis. Herein, we report a method to obtain a majority bifunctional acid-base pairs on SBA15. Aniline reacts with SBA15 by opening siloxane bridges leading to N-phenylsilanamine-silanol pairs. In contrast with ammonia treated surfaces, the material is stable under air/moisture. Advanced solid state MAS NMR: 2D ¹H-¹H double-quantum, ¹H-¹³C HETCOR experiments and dynamic nuclear polarization enhanced ²⁹Si and ¹⁵N spectra demonstrate both the close proximity between the two moieties and the formation of a covalent Si-N surface bond and confirm the design of vicinal acid-base pairs. This approach was successfully applied to the design of a series of aniline derivatives bifunctional SBA15. A correlation of the substituents effects on the aromatic ring (Hammet parameters) on the kinetics of the model reaction of Knoevenagel is observed.
e+e- Pair production from 10 GeV to 10 ZeV
International Nuclear Information System (INIS)
Klein, Spencer R.
2006-01-01
At very high energies, pair production (γ->e + e - ) exhibits many interesting features. The momentum transfer from the target is very small, so the reaction probes the macroscopic properties of the target, rather than individual nuclei. Interference between interactions with different atoms reduces the pair production cross section considerably below the Bethe-Heitler values. At very high energies, photonuclear interactions may outnumber pair production. In contrast, in crystals, the interaction amplitudes may add coherently, greatly increasing the cross sections. Pair production in matter-free magnetic fields is also possible. The highest energy pair production occurs at high-energy particle colliders. This article will compare pair production in these very different regimes
Atomic collisions related to atomic laser isotope separation
International Nuclear Information System (INIS)
Shibata, Takemasa
1995-01-01
Atomic collisions are important in various places in atomic vapor laser isotope separation (AVLIS). At a vaporization zone, many atomic collisions due to high density have influence on the atomic beam characteristics such as velocity distribution and metastable states' populations at a separation zone. In the separation zone, a symmetric charge transfer between the produced ions and the neutral atoms may degrade selectivity. We have measured atomic excitation temperatures of atomic beams and symmetric charge transfer cross sections for gadolinium and neodymium. Gadolinium and neodymium are both lanthanides. Nevertheless, results for gadolinium and neodymium are very different. The gadolinium atom has one 5d electron and neodymium atom has no 5d electron. It is considered that the differences are due to existence of 5d electron. (author)
Kou, Liangzhi; Fu, Huixia; Ma, Yandong; Yan, Binghai; Liao, Ting; Du, Aijun; Chen, Changfeng
2018-02-01
We introduce a class of two-dimensional (2D) materials that possess coexisting ferroelectric and topologically insulating orders. Such ferroelectric topological insulators (FETIs) occur in noncentrosymmetric atomic layer structures with strong spin-orbit coupling (SOC). We showcase a prototype 2D FETI in an atomically thin bismuth layer functionalized by C H2OH , which exhibits a large ferroelectric polarization that is switchable by a ligand molecule rotation mechanism and a strong SOC that drives a band inversion leading to the topologically insulating state. An external electric field that switches the ferroelectric polarization also tunes the spin texture in the underlying atomic lattice. Moreover, the functionalized bismuth layer exhibits an additional quantum order driven by the valley splitting at the K and K' points in the Brillouin zone stemming from the symmetry breaking and strong SOC in the system, resulting in a remarkable state of matter with the simultaneous presence of the quantum spin Hall and quantum valley Hall effect. These phenomena are predicted to exist in other similarly constructed 2D FETIs, thereby offering a unique quantum material platform for discovering novel physics and exploring innovative applications.
Yang, Changwon; Kim, Eunae; Pak, Youngshang
2015-01-01
Houghton (HG) base pairing plays a central role in the DNA binding of proteins and small ligands. Probing detailed transition mechanism from Watson–Crick (WC) to HG base pair (bp) formation in duplex DNAs is of fundamental importance in terms of revealing intrinsic functions of double helical DNAs beyond their sequence determined functions. We investigated a free energy landscape of a free B-DNA with an adenosine–thymine (A–T) rich sequence to probe its conformational transition pathways from WC to HG base pairing. The free energy landscape was computed with a state-of-art two-dimensional umbrella molecular dynamics simulation at the all-atom level. The present simulation showed that in an isolated duplex DNA, the spontaneous transition from WC to HG bp takes place via multiple pathways. Notably, base flipping into the major and minor grooves was found to play an important role in forming these multiple transition pathways. This finding suggests that naked B-DNA under normal conditions has an inherent ability to form HG bps via spontaneous base opening events. PMID:26250116
Population distribution of atomic uranium in the afterglow of a pulsed hollow-cathode discharge
International Nuclear Information System (INIS)
Demers, Yves; Gagne, J.-M.; Pianarosa, Piero
1987-01-01
From laser absorption measurements we have deduced the time evolution of the population distribution of atomic uranium in the afterglow of a pulsed hollow-cathode type discharge. The vapour generator operates with xenon as the discharge sustaining gas at a pressure of 280 Pa (2.1 Torr). The current pulse characteristics are width 250 μs and height 1.5 A. The pulse repetition frequency is 100 Hz. It is shown that the populations in the three metastable levels at 6249, 3868 and 3800 cm -1 decrease almost exponentially in a time interval between 150 and 300 μs. From 400 μs onwards in the afterglow, the atom population is essentially shared between the ground and the first metastable (620 cm -1 ) levels. Furthermore, starting from 9 ms in the afterglow more than 80% of the U atoms are found in the ground level. (author)
Rahaman, Obaidur; Estrada, Trilce P; Doren, Douglas J; Taufer, Michela; Brooks, Charles L; Armen, Roger S
2011-09-26
The performances of several two-step scoring approaches for molecular docking were assessed for their ability to predict binding geometries and free energies. Two new scoring functions designed for "step 2 discrimination" were proposed and compared to our CHARMM implementation of the linear interaction energy (LIE) approach using the Generalized-Born with Molecular Volume (GBMV) implicit solvation model. A scoring function S1 was proposed by considering only "interacting" ligand atoms as the "effective size" of the ligand and extended to an empirical regression-based pair potential S2. The S1 and S2 scoring schemes were trained and 5-fold cross-validated on a diverse set of 259 protein-ligand complexes from the Ligand Protein Database (LPDB). The regression-based parameters for S1 and S2 also demonstrated reasonable transferability in the CSARdock 2010 benchmark using a new data set (NRC HiQ) of diverse protein-ligand complexes. The ability of the scoring functions to accurately predict ligand geometry was evaluated by calculating the discriminative power (DP) of the scoring functions to identify native poses. The parameters for the LIE scoring function with the optimal discriminative power (DP) for geometry (step 1 discrimination) were found to be very similar to the best-fit parameters for binding free energy over a large number of protein-ligand complexes (step 2 discrimination). Reasonable performance of the scoring functions in enrichment of active compounds in four different protein target classes established that the parameters for S1 and S2 provided reasonable accuracy and transferability. Additional analysis was performed to definitively separate scoring function performance from molecular weight effects. This analysis included the prediction of ligand binding efficiencies for a subset of the CSARdock NRC HiQ data set where the number of ligand heavy atoms ranged from 17 to 35. This range of ligand heavy atoms is where improved accuracy of predicted ligand
Irregular wave functions of a hydrogen atom in a uniform magnetic field
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.
DSAM lifetime measurements for the chiral pair in {sup 194}Tl
Energy Technology Data Exchange (ETDEWEB)
Masiteng, P.L.; Bvumbi, S.P. [National Research Foundation, iThemba LABS, PO Box 722, Somerset West (South Africa); University of the Western Cape, Private Bag X17, Bellville (South Africa); University of Johannesburg, PO Box 524, Auckland Park (South Africa); Pasternak, A.A. [A.F. Ioffe Physical-Technical Institute, St.-Petersburg (Russian Federation); Lawrie, E.A.; Shirinda, O.; Lawrie, J.J.; Bark, R.A.; Kheswa, N.Y.; Lieder, E.O.; Lieder, R.M.; Mullins, S.M.; Murray, S.H.T. [National Research Foundation, iThemba LABS, PO Box 722, Somerset West (South Africa); Lindsay, R. [University of the Western Cape, Private Bag X17, Bellville (South Africa); Madiba, T.E.; Sharpey-Schafer, J.F. [National Research Foundation, iThemba LABS, PO Box 722, Somerset West (South Africa); University of the Western Cape, Private Bag X17, Bellville (South Africa); Ndayishimye, J.; Papka, P. [National Research Foundation, iThemba LABS, PO Box 722, Somerset West (South Africa); University of Stellenbosch, Department of Physics, Private Bag X1, Matieland (South Africa); Ntshangase, S.S. [National Research Foundation, iThemba LABS, PO Box 722, Somerset West (South Africa); University of Cape Town, Department of Physics, Private Bag, Rondebosch (South Africa)
2016-02-15
Most important for the identification of chiral symmetry in atomic nuclei is to establish a pair of bands that are near-degenerate in energy, but also in B(M1) and B(E2) transition probabilities. Dedicated lifetime measurements were performed for four bands of {sup 194}Tl, including the pair of four-quasiparticle chiral bands with close near-degeneracy, considered as a prime candidate for best chiral symmetry pair. The lifetime measurements confirm the excellent near-degeneracy in this pair and indicate that a third band may be involved in the chiral symmetry scenario. (orig.)
van Aggelen, Helen; Yang, Yang; Yang, Weitao
2014-05-14
Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The particle-hole (ph-) Random Phase Approximation (RPA), a functional of occupied and virtual orbitals, has recently known a revival within the density functional theory community. Following up on an idea introduced in our recent communication [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)], we formulate more general adiabatic connections for the correlation energy in terms of pairing matrix fluctuations described by the particle-particle (pp-) propagator. With numerical examples of the pp-RPA, the lowest-order approximation to the pp-propagator, we illustrate the potential of density functional approximations based on pairing matrix fluctuations. The pp-RPA is size-extensive, self-interaction free, fully anti-symmetric, describes the strong static correlation limit in H2, and eliminates delocalization errors in H2(+) and other single-bond systems. It gives surprisingly good non-bonded interaction energies--competitive with the ph-RPA--with the correct R(-6) asymptotic decay as a function of the separation R, which we argue is mainly attributable to its correct second-order energy term. While the pp-RPA tends to underestimate absolute correlation energies, it gives good relative energies: much better atomization energies than the ph-RPA, as it has no tendency to underbind, and reaction energies of similar quality. The adiabatic connection in terms of pairing matrix fluctuation paves the way for promising new density functional approximations.
International Nuclear Information System (INIS)
Aggelen, Helen van; Yang, Yang; Yang, Weitao
2014-01-01
Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The particle-hole (ph-) Random Phase Approximation (RPA), a functional of occupied and virtual orbitals, has recently known a revival within the density functional theory community. Following up on an idea introduced in our recent communication [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)], we formulate more general adiabatic connections for the correlation energy in terms of pairing matrix fluctuations described by the particle-particle (pp-) propagator. With numerical examples of the pp-RPA, the lowest-order approximation to the pp-propagator, we illustrate the potential of density functional approximations based on pairing matrix fluctuations. The pp-RPA is size-extensive, self-interaction free, fully anti-symmetric, describes the strong static correlation limit in H 2 , and eliminates delocalization errors in H 2 + and other single-bond systems. It gives surprisingly good non-bonded interaction energies