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Sample records for unit-cell parameters atomic

  1. Effect of Yttria Content on the Zirconia Unit Cell Parameters

    Energy Technology Data Exchange (ETDEWEB)

    Krogstad, Jessica A.; Lepple, Maren; Gao, Yan; Lipkin, Don M.; Levi, Carlos G. (UCSB); (GE Global)

    2012-02-06

    The relationship between yttria concentration and the unit cell parameters in partially and fully stabilized zirconia has been reassessed, motivated by the need to improve the accuracy of phase analysis upon decomposition of t{prime}-based thermal barrier coatings. Compositions ranging from 6 to 18 mol% YO{sub 1.5} were synthesized and examined by means of high-resolution X-ray diffraction. Lattice parameters were determined using the Rietveld refinement method, a whole-pattern fitting procedure. The revised empirical relationships fall within the range of those published previously. However, efforts to achieve superior homogeneity of the materials, as well as accuracy of the composition and lattice parameters, provide increased confidence in the reliability of these correlations for use in future studies. Additional insight into the potential sources for scatter previously reported for the transition region ({approx}12-14 mol% YO{sub 1.5}), where tetragonal and cubic phases have been observed to coexist, is also provided. Implications on the current understanding of stabilization mechanisms in zirconia are discussed.

  2. Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization.

    Science.gov (United States)

    Elking, Dennis M

    2016-08-15

    New equations for torque and atomic force are derived for use in flexible molecule force fields with atomic multipoles. The expressions are based on Cartesian tensors with arbitrary multipole rank. The standard method for rotating Cartesian tensor multipoles and calculating torque is to first represent the tensor with n indexes and 3(n) redundant components. In this work, new expressions for directly rotating the unique (n + 1)(n + 2)/2 Cartesian tensor multipole components Θpqr are given by introducing Cartesian tensor rotation matrix elements X(R). A polynomial expression and a recursion relation for X(R) are derived. For comparison, the analogous rotation matrix for spherical tensor multipoles are the Wigner functions D(R). The expressions for X(R) are used to derive simple equations for torque and atomic force. The torque and atomic force equations are applied to the geometry optimization of small molecule crystal unit cells. In addition, a discussion of computational efficiency as a function of increasing multipole rank is given for Cartesian tensors. © 2016 Wiley Periodicals, Inc.

  3. Algorithm and program for precise determination of unit-cell parameters of single crystal taking into account the sample eccentricity

    Science.gov (United States)

    Dudka, A. P.; Smirnova, E. S.; Verin, I. A.; Bolotina, N. B.

    2017-07-01

    A technique has been developed to refine the unit-cell parameters of single crystals with minimization of the influence of instrumental errors on the result. The corresponding computational procedure HuberUB is added to the software package of Huber-5042 diffractometer with a point detector and closedcycle helium cryostat Displex DE-202. The parameters of unit cell, its orientation, the goniometer zero angles, the sample eccentricity, the distances in the goniometer, and the radiation wavelength were refined by the nonlinear least-squares method, which allows imposition of constraints on the unit-cell parameters, depending on the crystal symmetry. The technique is approved on a LuB12 single crystal. The unit-cell parameters are determined in a temperature range of 20-295 K, with an absolute error not larger than 0.0004 Å (the relative error is of 5 × 10-5). The estimates of the unit-cell parameters obtained by the proposed method are evidenced to be unbiased. Some specific features of the behavior of parameters in the ranges of 120-140 and 20-50 K are revealed, which correlate with the anomalies of the physical properties of the crystal.

  4. On the Effect of Unit-Cell Parameters in Predicting the Elastic Response of Wood-Plastic Composites

    Directory of Open Access Journals (Sweden)

    Fatemeh Alavi

    2013-01-01

    Full Text Available This paper presents a study on the effect of unit-cell geometrical parameters in predicting elastic properties of a typical wood plastic composite (WPC. The ultimate goal was obtaining the optimal values of representative volume element (RVE parameters to accurately predict the mechanical behavior of the WPC. For each unit cell, defined by a given combination of the above geometrical parameters, finite element simulation in ABAQUS was carried out, and the corresponding stress-strain curve was obtained. A uniaxial test according to ASTM D638-02a type V was performed on the composite specimen. Modulus of elasticity was determined using hyperbolic tangent function, and the results were compared to the sets of finite element analyses. Main effects of RVE parameters and their interactions were demonstrated and discussed, specially regarding the inclusion of two adjacent wood particles within one unit cell of the material. Regression analysis was performed to mathematically model the RVE parameter effects and their interactions over the modulus of elasticity response. The model was finally employed in an optimization analysis to arrive at an optimal set of RVE parameters that minimizes the difference between the predicted and experimental moduli of elasticity.

  5. Unit-Cell by Unit-Cell Homoepitaxial Growth Using Atomically Flat SrTiO3(001) Substrates and Pulsed Laser Deposition

    Institute of Scientific and Technical Information of China (English)

    FEI Yi-Yan; WANG Xu; LU Hui-Bin; YANG Guo-Zhen; ZHU Xiang-Dong

    2005-01-01

    @@ Using a combination of chemical etching and thermal annealing methods, we have obtained atomically flat TiO2-terminated SrTiO3 (001) with large terraces.The average width of the terrace is only determined by miscut angles.When we continuously grow tens of SrTiO3 monolayers on such a surface under pulsed laser ablation deposition condition at 621℃, the growth proceeds in a layer-by-layer mode characterized by un-damped oscillations of the specular RHEED intensity.After the growth of 180 monolayers, the surface morphology is restored to the pre-growth condition with similarly large terraces after annealing in vacuum for only 30 min, indicating efficient mass transfer on TiO2-terminated terraces.

  6. QtUCP-A program for determining unit-cell parameters in electron diffraction experiments using double-tilt and rotation-tilt holders

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Hongsheng [Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi 830011 (China); Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Graduate School of Chinese Academy of Sciences, Beijing 100049 (China)], E-mail: zhaohscas@yahoo.com.cn; Wu Deqi [Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi 830011 (China); Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Graduate School of Chinese Academy of Sciences, Beijing 100049 (China); Yao Jincheng; Chang Aimin [Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China)

    2008-11-15

    A computer program, QtUCP, has been developed based on several well-established algorithms using GCC 4.0 and Qt 4.0 (Open Source Edition) under Debian GNU/Linux 4.0r0. It can determine the unit-cell parameters from an electron diffraction tilt series obtained from both double-tilt and rotation-tilt holders. In this approach, two or more primitive cells of the reciprocal lattice are determined from experimental data, in the meantime, the measurement errors of the tilt angles are checked and minimized. Subsequently, the derived primitive cells are converted into the reduced form and then transformed into the reduced direct primitive cell. Finally all the patterns are indexed and the least-squares refinement is employed to obtain the optimized results of the lattice parameters. Finally, two examples are given to show the application of the program, one is based on the experiment, the other is from the simulation.

  7. QtUCP-a program for determining unit-cell parameters in electron diffraction experiments using double-tilt and rotation-tilt holders.

    Science.gov (United States)

    Zhao, Hongsheng; Wu, Deqi; Yao, Jincheng; Chang, Aimin

    2008-11-01

    A computer program, QtUCP, has been developed based on several well-established algorithms using GCC 4.0 and Qt 4.0 (Open Source Edition) under Debian GNU/Linux 4.0r0. It can determine the unit-cell parameters from an electron diffraction tilt series obtained from both double-tilt and rotation-tilt holders. In this approach, two or more primitive cells of the reciprocal lattice are determined from experimental data, in the meantime, the measurement errors of the tilt angles are checked and minimized. Subsequently, the derived primitive cells are converted into the reduced form and then transformed into the reduced direct primitive cell. Finally all the patterns are indexed and the least-squares refinement is employed to obtain the optimized results of the lattice parameters. Finally, two examples are given to show the application of the program, one is based on the experiment, the other is from the simulation.

  8. Universal three-body parameter in heteronuclear atomic systems

    CERN Document Server

    Wang, Yujun; D'Incao, J P; Greene, Chris H

    2012-01-01

    A three-body parameter (3BP) defines the energy spectrum of three particles when the Efimov effect arises. Until recently, it had been widely agreed that this parameter should not be universal. Our present study further predicts a universal 3BP for heteronuclear atomic systems near broad Feshbach resonances. In particular, we show for a system of one light and two heavy atoms a universal 3BP is expected even without an effective three-body short-range repulsion. This universality is explained by the universal properties of the van der Waals interactions in a simple Born-Oppenheimer (BO) picture. Finally, we show the numerically determined 3BPs for some combination of alkali atoms used in ultracold experiments.

  9. Four-Parameter Scheme for Ground Level of Helium Atom

    Institute of Scientific and Technical Information of China (English)

    HU Xian-Quan; XU Jie; MA Yong; ZHENG Rui-Lun

    2006-01-01

    In this paper, the ground state wave function of four parameters is developed and the expression of the ground state level is derived for the helium atom when the radial Schrodinger equation of the helium atom is solved.The ground energy is respectively computed by the optimized algorithms of Matlab 7.0 and the Monte Carlo methods.Furthermore, the ground state wave function is obtained. Compared with the experiment value and the value with the variation calculus in reference, the results of this paper show that in the four-parameter scheme, not only the calculations become more simplified and precise, but also the radial wave function of the helium atom meets the space symmetry automatically in ground state.

  10. Parameters for Cold Collisions of Lithium and Caesium Atoms

    Institute of Scientific and Technical Information of China (English)

    Jamieson M. J.; Ouerdane H.

    2011-01-01

    @@ We calculate the s-wave scattering length and effective range and the p-wave scattering volume for Li atoms interacting with 133CS atoms via the X∑ molecular potential.The length and volume are found by fitting the log-derivative of the zero energy wave function evaluated at short range to a long range expression that accounts for the leading van der Waals dispersion potential and then incorporating the remaining long range dispersion contributions to first order.The effective range is evaluated from a quadrature formula.The calculated parameters are checked from the zero energy limits of the scattering phase shifts.We comment on ill-conditioning in the calculated s-wave scattering length.%We calculate the s-wave scattering length and effective range and the p-wave scattering volume for 7Li atoms interacting with 133Cs atoms via the X1E+ molecular potential. The length and volume are found by fitting the log-derivative of the zero energy wave function evaluated at short range to a long range expression that accounts for the leading van der Waals dispersion potential and then incorporating the remaining long range dispersion contributions to first order. The effective range is evaluated from a quadrature formula. The calculated parameters are checked from the zero energy limits of the scattering phase shifts. We comment on ill-conditioning in the calculated s-wave scattering length.

  11. Parameters for Cold Collisions of Lithium and Caesium Atoms

    CERN Document Server

    Ouerdane, H

    2015-01-01

    We calculate the s-wave scattering length and effective range and the p-wave scattering volume for $^7$Li atoms interacting with $^{133}$Cs atoms via the X$^1\\Sigma^+_g$ molecular potential. The length and volume are found by fitting the log-derivative of the zero energy wave function evaluated at short range to a long range expression that accounts for the leading van der Waals dispersion potential and then incorporating the remaining long range dispersion contributions to first order. The effective range is evaluated from a quadrature formula. The calculated parameters are checked from the zero energy limits of the scattering phase shifts. We comment on ill-conditioning in the calculated s-wave scattering length.

  12. Estimation of the reconstruction parameters for Atom Probe Tomography

    CERN Document Server

    Gault, Baptiste; Stephenson, Leigh T; Moody, Michael P; Muddle, Barry C; Ringer, Simon P

    2015-01-01

    The application of wide field-of-view detection systems to atom probe experiments emphasizes the importance of careful parameter selection in the tomographic reconstruction of the analysed volume, as the sensitivity to errors rises steeply with increases in analysis dimensions. In this paper, a self-consistent method is presented for the systematic determination of the main reconstruction parameters. In the proposed approach, the compression factor and the field factor are determined using geometrical projections from the desorption images. A 3D Fourier transform is then applied to a series of reconstructions and, comparing to the known material crystallography, the efficiency of the detector is estimated. The final results demonstrate a significant improvement in the accuracy of the reconstructed volumes.

  13. Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.

    Science.gov (United States)

    Laury, Marie L; Wang, Lee-Ping; Pande, Vijay S; Head-Gordon, Teresa; Ponder, Jay W

    2015-07-23

    A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. An automated procedure, ForceBalance, is used to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimental data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The AMOEBA14 model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures from 249 to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to experimental properties as a function of temperature, including the second virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, and dielectric constant. The viscosity, self-diffusion constant, and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2-20 water molecules, the AMOEBA14 model yields results similar to AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model.

  14. Estimation of atomic interaction parameters by quantum measurements

    DEFF Research Database (Denmark)

    Kiilerich, Alexander Holm; Mølmer, Klaus

    Quantum systems, ranging from atomic systems to field modes and mechanical devices are useful precision probes for a variety of physical properties and phenomena. Measurements by which we extract information about the evolution of single quantum systems yield random results and cause a back action...... strategies, we address the Fisher information and the Cramér-Rao sensitivity bound. We investigate monitoring by photon counting, homodyne detection and frequent projective measurements respectively, and exemplify by Rabi frequency estimation in a driven two-level system....

  15. Physical Origin of the Universal Three-body Parameter in Atomic Efimov Physics

    OpenAIRE

    2012-01-01

    We address the microscopic origin of the universal three-body parameter that fixes the spectrum of few-atom systems in the Efimov regime. We identify it with a nonadiabatic deformation of the three-atom system which occurs when three atoms come within the distance of the van der Waals length. This deformation explains the universal ratio of the scattering length at the triatomic resonance to the van der Waals length observed in several experiments and confirmed by numerical calculations.

  16. Atomic modeling of cryo-electron microscopy reconstructions--joint refinement of model and imaging parameters.

    Science.gov (United States)

    Chapman, Michael S; Trzynka, Andrew; Chapman, Brynmor K

    2013-04-01

    When refining the fit of component atomic structures into electron microscopic reconstructions, use of a resolution-dependent atomic density function makes it possible to jointly optimize the atomic model and imaging parameters of the microscope. Atomic density is calculated by one-dimensional Fourier transform of atomic form factors convoluted with a microscope envelope correction and a low-pass filter, allowing refinement of imaging parameters such as resolution, by optimizing the agreement of calculated and experimental maps. A similar approach allows refinement of atomic displacement parameters, providing indications of molecular flexibility even at low resolution. A modest improvement in atomic coordinates is possible following optimization of these additional parameters. Methods have been implemented in a Python program that can be used in stand-alone mode for rigid-group refinement, or embedded in other optimizers for flexible refinement with stereochemical restraints. The approach is demonstrated with refinements of virus and chaperonin structures at resolutions of 9 through 4.5 Å, representing regimes where rigid-group and fully flexible parameterizations are appropriate. Through comparisons to known crystal structures, flexible fitting by RSRef is shown to be an improvement relative to other methods and to generate models with all-atom rms accuracies of 1.5-2.5 Å at resolutions of 4.5-6 Å.

  17. Estimation of atomic interaction parameters by photon counting

    DEFF Research Database (Denmark)

    Kiilerich, Alexander Holm; Mølmer, Klaus

    2014-01-01

    Detection of radiation signals is at the heart of precision metrology and sensing. In this article we show how the fluctuations in photon counting signals can be exploited to optimally extract information about the physical parameters that govern the dynamics of the emitter. For a simple two......-level emitter subject to photon counting, we show that the Fisher information and the Cram\\'er- Rao sensitivity bound based on the full detection record can be evaluated from the waiting time distribution in the fluorescence signal which can, in turn, be calculated for both perfect and imperfect detectors...

  18. Estimation of atomic interaction parameters by photon counting

    DEFF Research Database (Denmark)

    Kiilerich, Alexander Holm; Mølmer, Klaus

    2014-01-01

    Detection of radiation signals is at the heart of precision metrology and sensing. In this article we show how the fluctuations in photon counting signals can be exploited to optimally extract information about the physical parameters that govern the dynamics of the emitter. For a simple two......-level emitter subject to photon counting, we show that the Fisher information and the Cram\\'er- Rao sensitivity bound based on the full detection record can be evaluated from the waiting time distribution in the fluorescence signal which can, in turn, be calculated for both perfect and imperfect detectors...

  19. Relativistic calculations of screening parameters and atomic radii of neutral atoms

    Science.gov (United States)

    Guerra, M.; Amaro, P.; Santos, J. P.; Indelicato, P.

    2017-09-01

    Calculations of the effective nuclear charge for elements with 1 ≤ Z ≤ 118 have been performed in a Dirac-Fock approach including all relativistic effects as well as contributions from quantum electrodynamics. Maximum charge density for every subshell of every element in the periodic table was also computed in the same framework as well as atomic radii based on the total charge density. Results were compared with the extensively cited works of Clementi et al., obtained in the 1960s with Roothan's self-consistent-field method.

  20. Unit Cell Structure of Crystal Polytypes in InAs and InSb Nanowires

    DEFF Research Database (Denmark)

    Kriegner, Dominik; Panse, Christian; Mandl, Bernhard

    2011-01-01

    , wurtzite, and 4H polytypes for InAs and InSb nanowires, using X-ray diffraction and transmission electron microscopy. The results are compared to density functional theory calculations. Experiment and theory show that the occurrence of hexagonal bilayers tends to stretch the distances of atomic layers...... parallel to the c axis and to reduce the in-plane distances compared to those in zinc blende. The change of the lattice parameters scales linearly with the hexagonality of the polytype, defined as the fraction of bilayers with hexagonal character within one unit cell....

  1. Lindhard's polarization parameter and atomic sum rules in the local plasma approximation

    DEFF Research Database (Denmark)

    Cabrera-Trujillo, R.; Apell, P.; Oddershede, J.

    2017-01-01

    In this work, we analyze the effects of Lindhard polarization parameter, χ, on the sum rule, Sp, within the local plasma approximation (LPA) as well as on the logarithmic sum rule Lp = dSp/dp, in both cases for the system in an initial excited state. We show results for a hydrogenic atom with nuc...

  2. Progress towards precision measurements of beta-decay correlation parameters using atom and ion traps

    CERN Document Server

    Melconian, D; Fenker, B; Mehlman, M; Shidling, P D; Anholm, M; Ashery, D; Behr, J A; Gorelov, A; Gwinner, G; Olchankski, K; Smale, S

    2014-01-01

    The correlations of the decay products following the beta decay of nuclei have a long history of providing a low-energy probe of the fundamental symmetries of our universe. Over half a century ago, the correlation of the electrons following the decay of polarized 60Co demonstrated that parity is not conserved in weak interactions. Today, the same basic idea continues to be applied to search for physics beyond the standard model: make precision measurements of correlation parameters and look for deviations compared to their standard model predictions. Efforts to measure these parameters to the 0.1% level utilizing atom and ion trapping techniques are described.

  3. Qualitative Analysis of Relationship between Refractive Index and Atomic Parameters of Solid Materials

    Institute of Scientific and Technical Information of China (English)

    罗遵度; 黄艺东

    2004-01-01

    The refractive index is one of the important parameters describing the optical properties of solid materials. However, it is difficult to obtain a quantitative relation between the refractive index and the structure and composition of materials. A qualitative relation between the refractive index and some atomic parameters of materials was proposed and demonstrated by some oxide optical crystals. A parameter P=r-/F=r-/(r+ΔxD) is defined, in which Δx is the difference of the electronegativities between cations and anions in the materials and r+ and r- are the radii of cations and anions respectively. On the other hand, the factor D was introduced to describe the effect of mass difference of the ions. It is demonstrated by both theoretical discussion and experimental data that refractive index is a decreasing function of parameter P. The relation may be useful for the investigation of optical materials.

  4. Acoustic omni meta-atom for decoupled access to all octants of a wave parameter space

    Science.gov (United States)

    Koo, Sukmo; Cho, Choonlae; Jeong, Jun-ho; Park, Namkyoo

    2016-01-01

    The common behaviour of a wave is determined by wave parameters of its medium, which are generally associated with the characteristic oscillations of its corresponding elementary particles. In the context of metamaterials, the decoupled excitation of these fundamental oscillations would provide an ideal platform for top–down and reconfigurable access to the entire constitutive parameter space; however, this has remained as a conceivable problem that must be accomplished, after being pointed out by Pendry. Here by focusing on acoustic metamaterials, we achieve the decoupling of density ρ, modulus B−1 and bianisotropy ξ, by separating the paths of particle momentum to conform to the characteristic oscillations of each macroscopic wave parameter. Independent access to all octants of wave parameter space (ρ, B−1, ξ)=(+/−,+/−,+/−) is thus realized using a single platform that we call an omni meta-atom; as a building block that achieves top–down access to the target properties of metamaterials. PMID:27687689

  5. Surface and Interface Properties of 10–12 Unit Cells Thick Sputter Deposited Epitaxial CeO2 Films

    Directory of Open Access Journals (Sweden)

    L. V. Saraf

    2008-01-01

    Full Text Available Ultrathin and continuous epitaxial films with relaxed lattice strain can potentially maintain more of its bulk physical and chemical properties and are useful as buffer layers. We study surface, interface, and microstructural properties of ultrathin (∼10–12 unit cells thick epitaxial ceria films grown on single crystal YSZ substrates. The out-of -plane and in-plane lattice parameters indicate relaxation in the continuous film due to misfit dislocations seen by high-resolution transmission electron microscopy (HRTEM and substrate roughness of ∼1-2 unit cells, confirmed by atomic force microscopy and HRTEM. A combination of secondary sputtering, lattice mismatch, substrate roughness, and surface reduction creating secondary phase was likely the cause of surface roughness which should be reduced to a minimum level for effective use of it as buffer layers.

  6. Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas

    Science.gov (United States)

    Santos-Martins, Diogo; Fernandes, Pedro Alexandrino; Ramos, Maria João

    2016-11-01

    In the context of SAMPL5, we submitted blind predictions of the cyclohexane/water distribution coefficient (D) for a series of 53 drug-like molecules. Our method is purely empirical and based on the additive contribution of each solute atom to the free energy of solvation in water and in cyclohexane. The contribution of each atom depends on the atom type and on the exposed surface area. Comparatively to similar methods in the literature, we used a very small set of atomic parameters: only 10 for solvation in water and 1 for solvation in cyclohexane. As a result, the method is protected from overfitting and the error in the blind predictions could be reasonably estimated. Moreover, this approach is fast: it takes only 0.5 s to predict the distribution coefficient for all 53 SAMPL5 compounds, allowing its application in virtual screening campaigns. The performance of our approach (submission 49) is modest but satisfactory in view of its efficiency: the root mean square error (RMSE) was 3.3 log D units for the 53 compounds, while the RMSE of the best performing method (using COSMO-RS) was 2.1 (submission 16). Our method is implemented as a Python script available at https://github.com/diogomart/SAMPL5-DC-surface-empirical.

  7. Atoms

    Institute of Scientific and Technical Information of China (English)

    刘洪毓

    2007-01-01

    Atoms(原子)are all around us.They are something like the bricks (砖块)of which everything is made. The size of an atom is very,very small.In just one grain of salt are held millions of atoms. Atoms are very important.The way one object acts depends on what

  8. Simple empirical order parameter for a first-order quantum phase transition in atomic nuclei.

    Science.gov (United States)

    Bonatsos, Dennis; McCutchan, E A; Casten, R F; Casperson, R J

    2008-04-11

    A simple, empirical, easy-to-measure effective order parameter of a first-order phase transition in atomic nuclei is presented, namely, the ratio of the energies of the first excited 6+ and 0+ states, distinguishing between first- and second-order transitions, and taking on a special value in the critical region, as data in Nd-Dy show. In the large NB limit of the interacting boson approximation model, a repeating degeneracy between alternate yrast and successive 0+ states is found in the critical region around the line of a first-order phase transition, pointing to a possible underlying symmetry.

  9. Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results

    DEFF Research Database (Denmark)

    Munshi, Parthapratim; Madsen, Anders Ø; Spackman, Mark A;

    2008-01-01

    Anisotropic displacement parameters (ADPs) are compared for H atoms estimated using three recently described procedures, both among themselves and with neutron diffraction results. The results convincingly demonstrate that all methods are capable of giving excellent results for several benchmark...

  10. X-ray powder diffraction data and unit cells of ammonium paratungstate tetrahydrate

    NARCIS (Netherlands)

    Put, J.W. van; Verkroost, T.W.; Sonneveld, E.J.

    1990-01-01

    X-Ray powder diffraction data and unit cell parameters of industrially produced, as well as bench scale prepared, ammonium paratungstate tetrahydrate are reported and compared with current Powder Data file (PDF) (1989) patterns. A least-squares refinement resulted in two slightly different unit cell

  11. Systematic Improvement of Potential-Derived Atomic Multipoles and Redundancy of the Electrostatic Parameter Space.

    Science.gov (United States)

    Jakobsen, Sofie; Jensen, Frank

    2014-12-09

    We assess the accuracy of force field (FF) electrostatics at several levels of approximation from the standard model using fixed partial charges to conformational specific multipole fits including up to quadrupole moments. Potential-derived point charges and multipoles are calculated using least-squares methods for a total of ∼1000 different conformations of the 20 natural amino acids. Opposed to standard charge fitting schemes the procedure presented in the current work employs fitting points placed on a single isodensity surface, since the electrostatic potential (ESP) on such a surface determines the ESP at all points outside this surface. We find that the effect of multipoles beyond partial atomic charges is of the same magnitude as the effect due to neglecting conformational dependency (i.e., polarizability), suggesting that the two effects should be included at the same level in FF development. The redundancy at both the partial charge and multipole levels of approximation is quantified. We present an algorithm which stepwise reduces or increases the dimensionality of the charge or multipole parameter space and provides an upper limit of the ESP error that can be obtained at a given truncation level. Thereby, we can identify a reduced set of multipole moments corresponding to ∼40% of the total number of multipoles. This subset of parameters provides a significant improvement in the representation of the ESP compared to the simple point charge model and close to the accuracy obtained using the complete multipole parameter space. The selection of the ∼40% most important multipole sites is highly transferable among different conformations, and we find that quadrupoles are of high importance for atoms involved in π-bonding, since the anisotropic electric field generated in such regions requires a large degree of flexibility.

  12. Experimental investigation on atomization and collecting efficiency of wind-spray dust controller and its parameters optimization

    Institute of Scientific and Technical Information of China (English)

    寇保福; 刘邱祖; 曹世宸; 胡晓禾; 李延峰; 王毅然; 赵波慧

    2015-01-01

    In order to enhance the atomization efficiency of atomizer, a new type of wind-spray dust controller combining the rotary-atomization and colliding broken of droplets was designed by the method of opening the water circulation within the blades. The experiment test for dust controller was conducted by adjusting the following parameters: rotating speed, diversion hole-exit diameter, and colliding tooth angle. Results show that the atomization efficiency increases firstly then decreases with them. And the optimal parameters are obtained with rotating speed 1500−2200 r/min, diversion hole-exit diameter 2−2.5 mm and colliding tooth angle 30°−40°, and under these conditions the corresponding atomization efficiencytops to 95%. Then, the atomization situation under the optimal parameters is held from the aspect of simulation internal flow field and the results of droplet size (30−80μm) are got, which indicates that the conclusion on the optimized parameters of dust controller is reasonable. The collecting efficiencies of different dust concentrations are determined, ranging from 85% to 98.4%, which shows that the designed dust controller can obtain a good atomizing effect and achieve well dustfall efficiency for the wetting dust control of coal mine.

  13. Experimental investigation on atomization and collecting efficiency of wind-spray dust controller and its parameters optimization

    Institute of Scientific and Technical Information of China (English)

    寇保福; 刘邱祖; 曹世宸; 胡晓禾; 李延峰; 王毅然; 赵波慧

    2015-01-01

    In order to enhance the atomization efficiency of atomizer, a new type of wind-spray dust controller combining the rotary-atomization and colliding broken of droplets was designed by the method of opening the water circulation within the blades. The experiment test for dust controller was conducted by adjusting the following parameters: rotating speed, diversion hole-exit diameter, and colliding tooth angle. Results show that the atomization efficiency increases firstly then decreases with them. And the optimal parameters are obtained with rotating speed 1500-2200 r/min, diversion hole-exit diameter 2-2.5 mm and colliding tooth angle 30°-40°, and under these conditions the corresponding atomization efficiency tops to 95%. Then, the atomization situation under the optimal parameters is held from the aspect of simulation internal flow field and the results of droplet size(30-80 μm) are got, which indicates that the conclusion on the optimized parameters of dust controller is reasonable. The collecting efficiencies of different dust concentrations are determined, ranging from 85% to 98.4%, which shows that the designed dust controller can obtain a good atomizing effect and achieve well dustfall efficiency for the wetting dust control of coal mine.

  14. Atomic Decomposition and Boundedness Criterion of Operators on Multi-parameter Hardy Spaces of Homogeneous Type

    Institute of Scientific and Technical Information of China (English)

    Guo Zhen LU; Ya Yuan XIAO

    2012-01-01

    The main purpose of this paper is to derive a new (p,q)-atomic decomposition on the multi-parameter Hardy space Hp(X1 × X2) for 0 < p0 < p ≤ 1 for some po and all 1 < q < ∞,where X1 × X2 is the product of two spaces of homogeneous type in the sense of Coifman and Weiss.This decomposition converges in both Lq(x1× X2) (for 1 < q < ∞) and Hardy space Hp(X1 × X2) (for 0 < p ≤ 1).As an application,we prove that an operator T,which is bounded on Lq(X1 × X2) for some 1 < q < ∞,is bounded from Hp(X1 × X2) to Lp(X1 × X2) if and only ifT is bounded uniformly on all (p,q)-product atoms in Lp(X1 × X2).The similar boundedness criterion from Hp(X1 × X2) to Hp(X1 × X2) is also obtained.

  15. An explicit algorithm for fully flexible unit cell simulation with recursive thermostat chains.

    Science.gov (United States)

    Jung, Kwangsub; Cho, Maenghyo

    2008-10-28

    Through the combination of the recursive multiple thermostat (RMT) Nose-Poincare and Parrinello-Rahman methods, the recursive multiple thermostat chained fully flexible unit cell (RMT-NsigmaT) molecular dynamics method is proposed for isothermal-isobaric simulation. The RMT method is known to have the advantage of achieving the ergodicity that is required for canonical sampling of the harmonic oscillator. Thus, an explicit time integration algorithm is developed for RMT-NsigmaT. We examine the ergodicity for various parameters of RMT-NsigmaT using bulk and thin film structures with different numbers of copper atoms and thicknesses in various environments. Through the numerical simulations, we conclude that the RMT-NsigmaT method is advantageous in the cases of lower temperatures.

  16. Silicone hydrogel contact lens surface analysis by atomic force microscopy: shape parameters

    Science.gov (United States)

    Giraldez, M. J.; Garcia-Resua, C.; Lira, M.; Sánchez-Sellero, C.; Yebra-Pimentel, E.

    2011-05-01

    Purpose: Average roughness (Ra) is generally used to quantify roughness; however it makes no distinction between spikes and troughs. Shape parameters as kurtosis (Rku) and skewness (Rsk) serve to distinguish between two profiles with the same Ra. They have been reported in many biomedical fields, but they were no applied to contact lenses before. The aim of this study is to analyze surface properties of four silicone hydrogel contact lenses (CL) by Atomic Force Microscopy (AFM) evaluating Ra, Rku and Rsk. Methods: CL used in this study were disposable silicone hydrogel senofilcon A, comfilcon A, balafilcon A and lotrafilcon B. Unworn CL surfaces roughness and topography were measured by AFM (Veeco, multimode-nanoscope V) in tapping modeTM. Ra, Rku and Rsk for 25 and 196 μm2 areas were determined. Results: Surface topography and parameters showed different characteristics depending on the own nature of the contact lens (Ra/Rku/Rsk for 25 and 196 μm2 areas were: senofilcon A 3,33/3,74/0,74 and 3,76/18,16/1,75; comfilcon A: 1,56/31,09/2,93 and 2,76/45,82/3,60; balafilcon A: 2,01/33,62/-2,14 and 2,54/23,36/-1,96; lotrafilcon B: 26,97/4,11/-0,34 and 29,25/2,82/-0,23). In lotrafilcon B, with the highest Ra, Rku showed a lower degree of peakedness of its distribution. Negative Rsk value obtained for balafilcon A showed a clear predominance of valleys in this lens. Conclusions: Kku and Rsk are two statistical parameters useful to analyse CL surfaces, which complete information from Ra. Differences in values distribution and symmetry were observed between CL.

  17. Ordering of carbon atoms in boron carbide structure

    Energy Technology Data Exchange (ETDEWEB)

    Ponomarev, V. I., E-mail: i2212@yandex.ru; Kovalev, I. D.; Konovalikhin, S. V.; Vershinnikov, V. I. [Russian Academy of Sciences, Institute of Structural Macrokinetics and Materials Science (Russian Federation)

    2013-05-15

    Boron carbide crystals have been obtained in the entire compositional range according to the phase diagram by self-propagating high-temperature synthesis (SHS). Based on the results of X-ray diffraction investigations, the samples were characterized by the unit-cell metric and reflection half-width in the entire range of carbon concentrations. A significant spread in the boron carbide unit-cell parameters for the same carbon content is found in the data in the literature; this spread contradicts the structural concepts for covalent compounds. The SHS samples have not revealed any significant spread in the unit-cell parameters. Structural analysis suggests that the spread of parameters in the literary data is related to the unique process of ordering of carbon atoms in the boron carbide structure.

  18. Importance of unit cells in accurate evaluation of the characteristics of graphene

    Energy Technology Data Exchange (ETDEWEB)

    Sabzyan, Hassan; Sadeghpour, Narges [Isfahan Univ. (Iran, Islamic Republic of). Dept. of Chemistry

    2016-08-01

    Effects of the size of the unit cell on energy, atomic charges, and phonon frequencies of graphene at the Γ point of the Brillouin zone are studied in the absence and presence of an electric field using density functional theory (DFT) methods (LDA and DFT-PBE functionals with Goedecker-Teter-Hutter (GTH) and Troullier-Martins (TM) norm-conserving pseudopotentials). Two types of unit cells containing n{sub c}=4-28 carbon atoms are considered. Results show that stability of graphene increases with increasing size of the unit cell. Energy, atomic charges, and phonon frequencies all converge above n{sub c}=24 for all functional-pseudopotentials used. Except for the LDA-GTH calculations, application of an electric field of 0.4 and 0.9 V/nm strengths does not change the trends with the size of the unit cell but instead slightly decreases the binding energy of graphene. Results of this study show that the choice of unit cell size and type is critical for calculation of reliable characteristics of graphene.

  19. Automation of the CHARMM General Force Field (CGenFF) II: Assignment of bonded parameters and partial atomic charges

    Science.gov (United States)

    Vanommeslaeghe, K.; Raman, E. Prabhu; MacKerell, A. D.

    2012-01-01

    Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug candidates interacting with biological systems. In these simulations, the biological part is typically represented by a specialized biomolecular force field, while the drug is represented by a matching general (organic) force field. In order to apply these general force fields to an arbitrary drug-like molecule, functionality for assignment of atom types, parameters and partial atomic charges is required. In the present article, algorithms for the assignment of parameters and charges for the CHARMM General Force Field (CGenFF) are presented. These algorithms rely on the existing parameters and charges that were determined as part of the parametrization of the force field. Bonded parameters are assigned based on the similarity between the atom types that define said parameters, while charges are determined using an extended bond-charge increment scheme. Charge increments were optimized to reproduce the charges on model compounds that were part of the parametrization of the force field. A “penalty score” is returned for every bonded parameter and charge, allowing the user to quickly and conveniently assess the quality of the force field representation of different parts of the compound of interest. Case studies are presented to clarify the functioning of the algorithms and the significance of their output data. PMID:23145473

  20. Comparisons of selected methods for the determination of kinetic parameters from electrothermal atomic absorption data

    Science.gov (United States)

    Fonseca, Rodney W.; Pfefferkorn, Lisa L.; Holcombe, James A.

    1994-12-01

    Three of the methods available for the determination of kinetic parameters for atom formation in ETAAS were compared. In the approach of mcnally and holcombe [ Anal. Chem. 59, 1015 (1987)], Arrhenius-type plots are used to extract activation energy values while an approximation of the order of release is obtained by studying the alignment of the absorption maxima at increasing analyte concentrations. In the method of rojas and olivares [ Spectrochim. Acta47B, 387 (1992)], plots are prepared for different orders of release, with the correct order yielding a longer linear region from whose slope the activation energy is calculated. The method of yan et al. [ Spectrochim. Acta48B, 605 (1993)] uses a single absorption profile for the calculations. Activation energy and the order of release are obtained from the slope and intercept, respectively, on their graph. All three methods assume linear heating rate, constant activation energies, and furnace isothermality. The methods were tested with the same experimental data sets for Cu, Au and Ni using a spatially isothermal cuvette. Since intensive mathematical treatments commonly have deleterious effects on the uncertainty of the final result, the methods were compared using both the original data and a smoothed version of it. In general, the three methods yielded comparable results for the metals studied. However, choosing the most linear plot to determine the correct order of release when using Rojas and Olivares' method was sometimes subjective, and McNally and Holcombe's method provided only estimates for the orders of release that were neither zero nor unity.

  1. Refined Dummy Atom Model of Mg(2+) by Simple Parameter Screening Strategy with Revised Experimental Solvation Free Energy.

    Science.gov (United States)

    Jiang, Yang; Zhang, Haiyang; Feng, Wei; Tan, Tianwei

    2015-12-28

    Metal ions play an important role in the catalysis of metalloenzymes. To investigate metalloenzymes via molecular modeling, a set of accurate force field parameters for metal ions is highly imperative. To extend its application range and improve the performance, the dummy atom model of metal ions was refined through a simple parameter screening strategy using the Mg(2+) ion as an example. Using the AMBER ff03 force field with the TIP3P model, the refined model accurately reproduced the experimental geometric and thermodynamic properties of Mg(2+). Compared with point charge models and previous dummy atom models, the refined dummy atom model yields an enhanced performance for producing reliable ATP/GTP-Mg(2+)-protein conformations in three metalloenzyme systems with single or double metal centers. Similar to other unbounded models, the refined model failed to reproduce the Mg-Mg distance and favored a monodentate binding of carboxylate groups, and these drawbacks needed to be considered with care. The outperformance of the refined model is mainly attributed to the use of a revised (more accurate) experimental solvation free energy and a suitable free energy correction protocol. This work provides a parameter screening strategy that can be readily applied to refine the dummy atom models for metal ions.

  2. The atomic parameter model for the fifth and sixth transition metal quasicrystal alloys (Mc=0.5)

    Institute of Scientific and Technical Information of China (English)

    LIAO ShuZhi; GUI XuChun; ZHANG Chun; PENG HaoJun; XIE HaoWen; OUYANG YiFang; ZHANG BangWei

    2009-01-01

    The forming ability of quasicrystal phase has a relationship with the atomic bond factors based on differences in atom size and electron factors.Usually,those factors or their combination are used to describe the forming ability,stability of alloys,etc.In this paper,the quasicrystal alloy forming abilities for the fifth and sixth transition metals (Y,Zr,Nb,Mo,Ru,Rh,Pd and La,Hf,Ta,W,Re,Os,Ir,Pt) based alloys have been studied by the size factor and the atomic parametric function.It has been found that an ellipse curve can be used to separate the quasicrystal formed area from the informed area in the size factor and atomic parameters functional graph.The ellipse curve can be defined by an equation(x-m)2/c2+(y-n)2/d2=1.The overall reliabilities for the model are up to 97.4% and 95.5% for the fifth and the sixth transition metals based quasicrystal alloys,respectively.Also,the ellipse parameters m,n,c and d can be paraphrased by some appropriate parameters for each host metal.

  3. The atomic parameter model for the fifth and sixth transition metal quasicrystal alloys(Mc=0.5)

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The forming ability of quasicrystal phase has a relationship with the atomic bond factors based on differences in atom size and electron factors.Usually,those factors or their combination are used to describe the forming ability,stability of alloys,etc.In this paper,the quasicrystal alloy forming abilities for the fifth and sixth transition metals(Y,Zr,Nb,Mo,Ru,Rh,Pd and La,Hf,Ta,W,Re,Os,Ir,Pt) based alloys have been studied by the size factor and the atomic parametric function.It has been found that an ellipse curve can be used to separate the quasicrystal formed area from the informed area in the size factor and atomic parameters functional graph.The ellipse curve can be defined by an equation(x-m)2/c2+(y?n)2/d2=1.The overall reliabilities for the model are up to 97.4% and 95.5% for the fifth and the sixth transition metals based quasicrystal alloys,respectively.Also,the ellipse parameters m,n,c and d can be paraphrased by some appropriate parameters for each host metal.

  4. Measurement of atomic Stark parameters of many Mn I and Fe I spectral lines using GMAW process

    Energy Technology Data Exchange (ETDEWEB)

    Zielinska, S; Pellerin, S; Valensi, F [GREMI, Universite d' Orleans (Site de Bourges)/CNRS, BP 4043, 18028 Bourges cedex (France); Dzierzega, K; Musiol, K [Marian Smoluchowski Institute of Physics, Jagellonian University, Krakow (Poland); Briand, F, E-mail: sylwia.zielinska@airliquide.co, E-mail: stephane.pellerin@univ-orleans.f, E-mail: krzycho@netmail.if.uj.edu.p, E-mail: flavien.valensi@laplace.univ-tsle.f, E-mail: ufmusiol@cyf-kr.edu.p, E-mail: francis.briand@airliquide.co [CTAS-Air Liquide Welding, Saint Ouen l' Aunone, 95315 Cergy-Pontoise cedex (France)

    2010-11-03

    The particular character of the welding arc working in pure argon, whose emission spectrum consists of many spectral lines strongly broadened by the Stark effect, has allowed measurement, sometimes for the first time, of the Stark parameters of 15 Mn I and 10 Fe I atomic spectral lines, and determination of the dependence on temperature of normalized Stark broadening in N{sub e} = 10{sup 23} m{sup -3} of the 542.4 nm atomic iron line. These results show that special properties of the MIG plasma may be useful in this domain because composition of the wire-electrode may be easily adapted to the needs of an experiment.

  5. Entanglement swapping to a qutrit-qutrit atomic system in the presence of Kerr medium and detuning parameter

    Science.gov (United States)

    Ghasemi, M.; Tavassoly, M. K.

    2016-09-01

    In this paper we consider two independent systems, each consisting of a V-type three-level atom as a qutrit which interacts with a single-mode quantized field in the presence of a Kerr medium. The dynamics of atom-field interaction in each cavity is governed by the Jaynes-Cummings model. The analytical solution associated with each cavity is derived, showing that the atom and field in each cavity are clearly entangled. However, the two (identical) atoms have never interacted and so no entanglement between them exists. The aim of the present paper is to investigate about the possibility of entanglement swapping to a qutrit-qutrit system. We achieve the purpose with the help of the Bell state measurement (BSM) method on the field photons. In the continuation, we discuss on the influences of "Kerr medium" and "off-resonance condition" on success probability, the degree of entanglement and atomic inversion in detail and show that one can appropriately adjust these quantities by tuning the evolved parameters. The success probability of the order of 0.50 for the created qutrit-qutrit entangled state may be accessible.

  6. Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water.

    Science.gov (United States)

    Reinhardt, Aleks; Doye, Jonathan P K; Noya, Eva G; Vega, Carlos

    2012-11-21

    We present a local order parameter based on the standard Steinhardt-Ten Wolde approach that is capable both of tracking and of driving homogeneous ice nucleation in simulations of all-atom models of water. We demonstrate that it is capable of forcing the growth of ice nuclei in supercooled liquid water simulated using the TIP4P/2005 model using over-biassed umbrella sampling Monte Carlo simulations. However, even with such an order parameter, the dynamics of ice growth in deeply supercooled liquid water in all-atom models of water are shown to be very slow, and so the computation of free energy landscapes and nucleation rates remains extremely challenging.

  7. Comparison of liposome entrapment parameters by optical and atomic absorption spectrophotometry.

    Science.gov (United States)

    Yoss, N L; Popescu, O; Pop, V I; Porutiu, D; Kummerow, F A; Benga, G

    1985-01-01

    Methods for the complete characterization of liposomes prepared by ether-injection are described in detail. The validity of atomic absorption spectrophotometry for measuring markers of trapped volume was checked by comparative determinations of markers with established optical spectrophotometrical methods. The favorable results using atomic absorption spectrophotometry to quantitate the marker Mn2+ are of particular relevance as manganese ion is also the paramagnetic probe in n.m.r. measurements of water permeability of liposomes; our results indicate that in such measurements no other marker need be incorporated.

  8. Using Inductance as a Tuning Parameter for RF Meta-atoms

    Institute of Scientific and Technical Information of China (English)

    Derrick Langley; Ronald A Coutu Jr; Peter J Collins

    2012-01-01

    The resonant frequency of metamaterials structured with split ring resonator (SRR) meta-atoms is determined primarily through the capacitance and inductance of the individual meta-atoms. Two designs that vary inductance incrementally were modeled, simulated, fabricated, and tested to investigate the role inductance plays in metamaterial designs. The designs consisted of strategically adding sections to the SRR to increase the inductance, but in a manner that minimized capacitance variations. Each design showed a shift in resonant frequency that was proportional to the length of the added section. As the length of each section was increased, the resonant frequency shifted from 2.78 GHz to 2.18 GHz.

  9. Influence of measuring parameters on the accuracy of atomic force microscope in industrial applications

    DEFF Research Database (Denmark)

    Tosello, Guido; Antico, Andrea; Hansen, Hans Nørgaard;

    2009-01-01

    Atomic Force Microscopy (AFM) is a powerful technique providing 3D surface topographies with very high resolution in both lateral and vertical direction. Thanks to its relatively easy use, AFM can be well introduced in process control, gaining great advantage in research as well as in the evaluat......Atomic Force Microscopy (AFM) is a powerful technique providing 3D surface topographies with very high resolution in both lateral and vertical direction. Thanks to its relatively easy use, AFM can be well introduced in process control, gaining great advantage in research as well...

  10. Computer Simulations: A Tool to Predict Experimental Parameters with Cold Atoms

    Science.gov (United States)

    2013-04-01

    allowing us to look at the trap frequency, depth, and axes. It can also simulate the atom behavior using Monte Carlo simulations. Since the...ARL-TR-5787; U.S. Army Research Laboratory: Adelphi, MD, 2011. 21 1 DEFENSE TECHNICAL (PDF) INFORMATION CTR DTIC OCA 1 DIRECTOR

  11. Dependence of microwave-excitation signal parameters on frequency stability of caesium atomic clock

    Science.gov (United States)

    Petrov, A. A.; Davydov, V. V.; Vologdin, V. A.; Zalyotov, D. V.

    2015-11-01

    New scheme of the microwave - excitation signal for the caesium atomic clock is based on method of direct digital synthesis. The theoretical calculations and experimental research showed decrease step frequency tuning by several orders and improvement the spectral characteristics of the output signal of frequency synthesizer. A range of generated output frequencies is expanded, and the possibility of detuning the frequency of the neighboring resonance of spectral line that makes it possible to adjust the C-field in quantum frequency standard is implemented. Experimental research of the metrological characteristics of the quantum frequency standard on the atoms of caesium - 133 with new design scheme of the microwave - excitation signal showed improvement in daily frequency stability on 1.2*10-14.

  12. Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension

    DEFF Research Database (Denmark)

    Sonne, Jacob; Jensen, M.Ø.; Hansen, Flemming Yssing;

    2007-01-01

    represented by the CHARMM energy function in this ensemble, we reparameterized the atomic partial charges in the lipid headgroup and upper parts of the acyl chains. The new charges were determined from the electron structure using both the Mulliken method and the restricted electrostatic potential fitting...... method. We tested the derived charges in molecular dynamics simulations of a fully hydrated DPPC bilayer. Only the simulation with the new restricted electrostatic potential charges shows significant improvements compared with simulations using the original CHARMM27 force field resulting in an area per...... fluid phase of DPPC bilayers can now be simulated in all-atom simulations in the NPT ensemble by employing our modified CHARMM27 force field....

  13. Valence state parameters of all transition metal atoms in metalloproteins--development of ABEEMσπ fluctuating charge force field.

    Science.gov (United States)

    Yang, Zhong-Zhi; Wang, Jian-Jiang; Zhao, Dong-Xia

    2014-09-05

    To promote accuracy of the atom-bond electronegativity equalization method (ABEEMσπ) fluctuating charge polarizable force fields, and extend it to include all transition metal atoms, a new parameter, the reference charge is set up in the expression of the total energy potential function. We select over 700 model molecules most of which model metalloprotein molecules that come from Protein Data Bank. We set reference charges for different apparent valence states of transition metals and calibrate the parameters of reference charges, valence state electronegativities, and valence state hardnesses for ABEEMσπ through linear regression and least square method. These parameters can be used to calculate charge distributions of metalloproteins containing transition metal atoms (Sc-Zn, Y-Cd, and Lu-Hg). Compared the results of ABEEMσπ charge distributions with those obtained by ab initio method, the quite good linear correlations of the two kinds of charge distributions are shown. The reason why the STO-3G basis set in Mulliken population analysis for the parameter calibration is specially explained in detail. Furthermore, ABEEMσπ method can also quickly and quite accurately calculate dipole moments of molecules. Molecular dynamics optimizations of five metalloproteins as the examples show that their structures obtained by ABEEMσπ fluctuating charge polarizable force field are very close to the structures optimized by the ab initio MP2/6–311G method. This means that the ABEEMσπ/MM can now be applied to molecular dynamics simulations of systems that contain metalloproteins with good accuracy.

  14. The Gruneisen parameter for silver azide

    Science.gov (United States)

    Zhuravlyov, Yu. N.; Lisitsyn, V. M.

    2011-12-01

    A first-principle procedure is proposed to determine the Gruneisen parameter for a crystal by calculating the external pressure and the vibration spectrum as functions of the volume of a unit cell. In the gradient approximation of the electron density functional theory, on the basis of a linear combination of atomic orbitals, the elastic and the thermodynamic Gruneisen parameters of silver azide, which decrease with volume (with increasing pressure), are calculated with the use of the CRYSTAL09 code. The equilibrium values of the parameter γ0 for various cold equations of state of crystals and for the thermodynamic models used are, respectively, ~2.3 and 1.6.

  15. Neutral atomic absorption lines and far-UV extinction: Possible implications for depletions and grain parameters

    Science.gov (United States)

    Welty, Daniel E.

    1990-01-01

    Researchers examine nine lines of sight within the Galaxy and one in the Large Magellanic Cloud (LMC) for which data on both neutral atomic absorption lines (Snow 1984; White 1986; Welty, Hobbs, and York 1989) and far UV extinction (Bless and Savage 1972; Jenkins, Savage, and Spitzer 1986) are available, in order to test the assumption that variations in gamma/alpha will cancel in taking ratios of the ionization balance equation, and to try to determine to what extent that assumption has affected the aforementioned studies of depletions and grain properties.

  16. Color atomic force microscopy: A method to acquire three independent potential parameters to generate a color image

    Science.gov (United States)

    Allain, P. E.; Damiron, D.; Miyazaki, Y.; Kaminishi, K.; Pop, F. V.; Kobayashi, D.; Sasaki, N.; Kawakatsu, H.

    2017-09-01

    Atomic force microscopy has enabled imaging at the sub-molecular level, and 3D mapping of the tip-surface potential field. However, fast identification of the surface still remains a challenging topic for the microscope to enjoy widespread use as a tool with chemical contrast. In this paper, as a step towards implementation of such function, we introduce a control scheme and mathematical treatment of the acquired data that enable retrieval of essential information characterizing this potential field, leading to fast acquisition of images with chemical contrast. The control scheme is based on the tip sample distance modulation at an angular frequency ω, and null-control of the ω component of the measured self-excitation frequency of the oscillator. It is demonstrated that this control is robust, and that effective Morse Parameters that give satisfactory curve fit to the measured frequency shift can be calculated at rates comparable to the scan. Atomic features with similar topography were distinguished by differences in these parameters. The decay length parameter was resolved with a resolution of 10 pm. The method was demonstrated on quenched silicon at a scan rate comparable to conventional imaging.

  17. Measurements of atomic parameters of highly charged ions for interpreting astrophysical spectra

    Energy Technology Data Exchange (ETDEWEB)

    Brown, G.V.; Beiersdorfer, P.; Utter, S.B. [Lawrence Livermore National Lab., CA (United States); Boyce, K.R.; Gendreau, K.C.; Kelley, R.; Porter, F.S. [National Aeronautics and Space Administration, Greenbelt, MD (United States). Goddard Space Flight Center; Gu, M.F.; Kahn, S.M.; Savin, D.W. [Columbia Univ., New York, NY (United States); Gygax, J. [Swales and Associates, Beltsville, MD (United States)

    2001-07-01

    High-resolution X-ray spectra obtained by the Chandra X-ray Observatory and the X-ray Multi-Mirror Mission put new demands on atomic data including line positions, excitation cross sections, and radiative rates of cosmically-abundant highly-charged ions. To address this need, we are performing measurements of the line emission from ions of cosmically abundant elements. The data are obtained at the LLNL Electron Beam Ion Trap and focus on cross sections for electron-impact excitation, dielectronic recombination, and resonance excitation as well as atomic structure measurements. We find that ratios of the electron-impact excitation cross sections of singlet and triplet levels are systematically different from the calculated values in the case of many highly charged ions. This, for example, has a profound impact on inferring optical depths from solar and stellar atmospheres. Moreover, new line identifications are presented that resolve some long-standing puzzles in the interpretation of solar data, and the importance of resonance contributions to the spectral emission is assessed. (orig.)

  18. Arsenic speciation by hydride generation-quartz furnace atomic absorption spectrometry. Optimization of analytical parameters and application to environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Molenat, N.; Astruc, A.; Holeman, M.; Pinel, R. [Laboratoire de Chimie Analytique Bioinorganique et Environnement, Dept. de Chimie, Faculte des Sciences et Techniques, 64 - Pau (France); Maury, G. [Montpellier-2 Univ., 34 (France). Dept. de Chimie Organique Fine

    1999-11-01

    Analytical parameters of hydride generation, trapping, gas chromatography and atomic absorption spectrometry detection in a quartz cell furnace (HG/GC/QFAAS) device have been optimized in order to develop an efficient and sensitive method for arsenic compounds speciation. Good performances were obtained with absolute detection limits in the range of 0.1 - 0.5 ng for arsenite, arsenate, mono-methyl-arsonic acid (MMAA), dimethyl-arsinic acid (DMAA) and trimethyl-arsine oxide (TMAO). A pH selective reduction for inorganic arsenic speciation was successfully reported. Application to the accurate determination of arsenic compounds in different environmental samples was performed. (authors)

  19. Water proton configurations in structures I, II, and H clathrate hydrate unit cells.

    Science.gov (United States)

    Takeuchi, Fumihito; Hiratsuka, Masaki; Ohmura, Ryo; Alavi, Saman; Sum, Amadeu K; Yasuoka, Kenji

    2013-03-28

    Position and orientation of water protons need to be specified when the molecular simulation studies are performed for clathrate hydrates. Positions of oxygen atoms in water are experimentally determined by X-ray diffraction analysis of clathrate hydrate structures, but positions of water hydrogen atoms in the lattice are disordered. This study reports a determination of the water proton coordinates in unit cell of structure I (sI), II (sII), and H (sH) clathrate hydrates that satisfy the ice rules, have the lowest potential energy configuration for the protons, and give a net zero dipole moment. Possible proton coordinates in the unit cell were chosen by analyzing the symmetry of protons on the hexagonal or pentagonal faces in the hydrate cages and generating all possible proton distributions which satisfy the ice rules. We found that in the sI and sII unit cells, proton distributions with small net dipole moments have fairly narrow potential energy spreads of about 1 kJ∕mol. The total Coulomb potential on a test unit charge placed in the cage center for the minimum energy∕minimum dipole unit cell configurations was calculated. In the sI small cages, the Coulomb potential energy spread in each class of cage is less than 0.1 kJ∕mol, while the potential energy spread increases to values up to 6 kJ∕mol in sH and 15 kJ∕mol in the sII cages. The guest environments inside the cages can therefore be substantially different in the sII case. Cartesian coordinates for oxygen and hydrogen atoms in the sI, sII, and sH unit cells are reported for reference.

  20. Development of a coincidence system for the measurement of X-ray emission atomic parameters

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, Filiberto; Miranda, Javier [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, 01000 Mexico, D.F (Mexico)

    2013-07-03

    Preliminary results obtained in experiments carried out with an x-ray spectrometer built at the Instituto de Fisica for Atomic Physics and environmental sciences studies are presented. The experiments are based on a coincidence method for signals produced by LEGe and Si(Li) detectors. The x-ray fluorescence yields ({omega}{sub Li}) and Coster-Kronig transition probabilities (f{sub ij}) for elements with 55 {<=} Z {<=} 60 are among the quantities of interest. The method is based on the simultaneous detection of K x-rays with the LEGe detector and the L x-rays with the Si(Li) detector. The primary radiation source is an x-ray tube with Rh anode. The system was tested with the coincidence of the L x-rays from Ce with its K line, demonstrating the feasibility of the experiments.

  1. Hydration free energies using semiempirical quantum mechanical Hamiltonians and a continuum solvent model with multiple atomic-type parameters.

    Science.gov (United States)

    Anisimov, Victor M; Cavasotto, Claudio N

    2011-06-23

    To build the foundation for accurate quantum mechanical (QM) simulation of biomacromolecules in an aqueous environment, we undertook the optimization of the COnductor-like Screening MOdel (COSMO) atomic radii and atomic surface tension coefficients for different semiempirical Hamiltonians adhering to the same computational conditions recently followed in the simulation of biomolecular systems. This optimization was achieved by reproducing experimental hydration free energies of a set consisting of 507 neutral and 99 ionic molecules. The calculated hydration free energies were significantly improved by introducing a multiple atomic-type scheme that reflects different chemical environments. The nonpolar contribution was treated according to the scaled particle Claverie-Pierotti formalism. Separate radii and surface tension coefficient sets have been developed for AM1, PM3, PM5, and RM1 semiempirical Hamiltonians, with an average unsigned error for neutral molecules of 0.64, 0.66, 0.73, and 0.71 kcal/mol, respectively. Free energy calculation of each molecule took on average 0.5 s on a single processor. The new sets of parameters will enhance the quality of semiempirical QM calculations using COSMO in biomolecular systems. Overall, these results further extend the utility of QM methods to chemical and biological systems in the condensed phase.

  2. Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension

    DEFF Research Database (Denmark)

    Sonne, Jacob; Jensen, M.Ø.; Hansen, Flemming Yssing

    2007-01-01

    lipid of 60.4 ± 0.1 Å2. Compared to the 48 Å2, the new value of 60.4 Å2 is in fair agreement with the experimental value of 64 Å2. In addition, the simulated order parameter profile and electron density profile are in satisfactory agreement with experimental data. Thus, the biologically more interesting...

  3. Frequency Selective Surfaces with Nanoparticles Unit Cell

    Directory of Open Access Journals (Sweden)

    Nga Hung Poon

    2015-09-01

    Full Text Available The frequency selective surface (FSS is a periodic structure with filtering performance for optical and microwave signals. The general periodic arrays made with patterned metallic elements can act as an aperture or patch on a substrate. In this work, two kinds of materials were used to produce unit cells with various patterns. Gold nanoparticles of 25 nm diameter were used to form periodic monolayer arrays by a confined photocatalytic oxidation-based surface modification method. As the other material, silver gel was used to create multiple layers of silver. Due to the ultra-thin nature of the self-assembled gold nanoparticle monolayer, it is very easy to penetrate the FSS with terahertz radiation. However, the isolated silver islands made from silver gel form thicker multiple layers and contribute to much higher reflectance. This work demonstrated that multiple silver layers are more suitable than gold nanoparticles for use in the fabrication of FSS structures.

  4. Rate parameters for the reaction of atomic hydrogen with dimethyl ether and dimethyl sulfide

    Science.gov (United States)

    Lee, J. H.; Machen, R. C.; Nava, D. F.; Stief, L. J.

    1981-03-01

    Absolute rate constants for the reaction of atomic hydrogen with dimethyl ether (DME) and dimethyl sulfide (DMS) were obtained using the flash photolysis-resonance fluorescence technique. Under conditions where secondary reactions are avoided, rate constants for the H+DME reaction over the temperature range 273-426 K are well represented by the Arrhenius expression k1=(4.38±0.59)×10-12 exp(-1956±43/T) cm3 molecule-1 s-1. The corresponding Arrhenius expression for the H+DMS reaction over the temperature range 212-500 K is k2=(1.30±0.43)×10-11exp(-1118±81/T) cm3 molecule-1 s-1. The Arrhenius plot for k2 shows signs of curvature, however, and separate Arrhenius expressions are derived for the data above and below room temperature. These results are discussed and comparisons are made with previous determinations which employed flow discharge and product analysis techniques.

  5. BioDiff - a neutron diffractometer optimized for crystals with large unit cell dimensions

    OpenAIRE

    Schrader, Tobias Erich; Ostermann, Andreas; Monkenbusch, Michael; Laatsch, Bernhard; Jüttner, Philipp; Petry, Winfried; Richter, Dieter

    2014-01-01

    The research reactor Heinz Maier-Leibnitz (FRM II) is a modern high flux neutron source which feeds some 30 state of the art neutron beam instruments. Currently 24 are operational, others in commissioning or under construction. The newly built neutron single crystal diffractometer BIODIFF is especially designed to collect data from crystals with large unit cells. The main field of application is the structural analysis of proteins, especially the determination of hydrogen atom positions. BIOD...

  6. TDLDA calculations of photoionization cross-section and asymmetry parameter profiles of alkaline-earth atoms

    Science.gov (United States)

    Stener, M.; De Alti, G.; Fronzoni, G.; Decleva, P.

    1997-10-01

    Absolute photoionization cross-section and asymmetry parameter profiles of Be, Mg and Ca have been calculated at TDLDA and LDA level, employing a very accurate B-spline basis set and the modified Sternheimer approach. The van Leeuwen-Baerends (VLB) exchange correlation potential has been used, since its correct asymptotic behaviour is able to support virtual states and to describe core-excited resonances. The results have been compared with other calculations and experiment when available. The autoionization resonances have been successfully fitted with a suitable Fano profile. The Ca 3p → 3d 'giant-resonance' has been properly described, despite of the dramatic screening effects involved in the process. The success of the TDLDA method for describing the cross-section profiles in the present systems which display a wide range of many-body effects, seems to suggest that further efforts to apply the present method to molecules are justified.

  7. Novel negative mass density resonant metamaterial unit cell

    Energy Technology Data Exchange (ETDEWEB)

    Cselyuszka, Norbert, E-mail: cselyu@yahoo.com; Sečujski, Milan, E-mail: secujski@uns.ac.rs; Crnojević-Bengin, Vesna, E-mail: bengin@uns.ac.rs

    2015-01-02

    In this paper a novel resonant unit cell of one-dimensional acoustic metamaterials is presented, which exhibits negative effective mass density. We theoretically analyze the unit cell and develop a closed analytical formula for its effective mass density. Then we proceed to demonstrate left-handed propagation of acoustic waves using the proposed unit cell. Finally, we present its dual-band version, capable of operating at two independent frequencies. - Highlights: • A novel acoustic metamaterial unit cell provides Lorentz-type resonant effective mass density. • Analytical formula for effective mass density is derived. • Acoustic bandstop medium and left-handed metamaterial based on the novel unit cell are presented. • Modified version of the unit cell, operating at two independent frequencies, is proposed.

  8. A Unit Cell Laboratory Experiment: Marbles, Magnets, and Stacking Arrangements

    Science.gov (United States)

    Collins, David C.

    2011-01-01

    An undergraduate first-semester general chemistry laboratory experiment introducing face-centered, body-centered, and simple cubic unit cells is presented. Emphasis is placed on the stacking arrangement of solid spheres used to produce a particular unit cell. Marbles and spherical magnets are employed to prepare each stacking arrangement. Packing…

  9. Imaging the impact on cuprate superconductivity of varying the interatomic distances within individual crystal unit cells.

    Science.gov (United States)

    Slezak, J A; Lee, Jinho; Wang, M; McElroy, K; Fujita, K; Andersen, B M; Hirschfeld, P J; Eisaki, H; Uchida, S; Davis, J C

    2008-03-04

    Many theoretical models of high-temperature superconductivity focus only on the doping dependence of the CuO(2)-plane electronic structure. However, such models are manifestly insufficient to explain the strong variations in superconducting critical temperature, T(c), among cuprates that have identical hole density but are crystallographically different outside of the CuO(2) plane. A key challenge, therefore, has been to identify a predominant out-of-plane influence controlling the superconductivity, with much attention focusing on the distance d(A) between the apical oxygen and the planar copper atom. Here we report direct determination of how variations in interatomic distances within individual crystalline unit cells affect the superconducting energy-gap maximum Delta of Bi(2)Sr(2)CaCu(2)O(8+delta). In this material, quasiperiodic variations of unit cell geometry occur in the form of a bulk crystalline "supermodulation." Within each supermodulation period, we find approximately 9 +/- 1% cosinusoidal variation in local Delta that is anticorrelated with the associated d(A) variations. Furthermore, we show that phenomenological consistency would exist between these effects and the random Delta variations found near dopant atoms if the primary effect of the interstitial dopant atom is to displace the apical oxygen so as to diminish d(A) or tilt the CuO(5) pyramid. Thus, we reveal a strong, nonrandom out-of-plane effect on cuprate superconductivity at atomic scale.

  10. Impact of the irregular microgeometry of polyurethane foam on the macroscopic acoustic behavior predicted by a unit-cell model.

    Science.gov (United States)

    Doutres, O; Ouisse, M; Atalla, N; Ichchou, M

    2014-10-01

    This paper deals with the prediction of the macroscopic sound absorption behavior of highly porous polyurethane foams using two unit-cell microstructure-based models recently developed by Doutres, Atalla, and Dong [J. Appl. Phys. 110, 064901 (2011); J. Appl. Phys. 113, 054901 (2013)]. In these models, the porous material is idealized as a packing of a tetrakaidecahedra unit-cell representative of the disordered network that constitutes the porous frame. The non-acoustic parameters involved in the classical Johnson-Champoux-Allard model (i.e., porosity, airflow resistivity, tortuosity, etc.) are derived from characteristic properties of the unit-cell and semi-empirical relationships. A global sensitivity analysis is performed on these two models in order to investigate how the variability associated with the measured unit-cell characteristics affects the models outputs. This allows identification of the possible limitations of a unit-cell micro-macro approach due to microstructure irregularity. The sensitivity analysis mainly shows that for moderately and highly reticulated polyurethane foams, the strut length parameter is the key parameter since it greatly impacts three important non-acoustic parameters and causes large uncertainty on the sound absorption coefficient even if its measurement variability is moderate. For foams with a slight inhomogeneity and anisotropy, a micro-macro model associated to cell size measurements should be preferred.

  11. Fermi surface properties of paramagnetic NpCd{sub 11} with a large unit cell

    Energy Technology Data Exchange (ETDEWEB)

    Homma, Yoshiya; Aoki, Dai; Shiokawa, Yoshinobu [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Haga, Yoshinori; Sakai, Hironori; Ikeda, Shugo; Yamamoto, Etsuji; Nakamura, Akio; Onuki, Yoshichika [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Settai, Rikio [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Takeuchi, Tetsuya [Cryogenic Center, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Yamagami, Hiroshi, E-mail: yhomma@imr.tohoku.ac.jp [Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan)

    2010-03-15

    We succeeded in growing a high-quality single crystal of NpCd{sub 11} with the cubic BaHg{sub 11}-type structure by the Cd-self flux method. The lattice parameter of a = 9.2968(2) A and crystallographic positions of the atoms were determined by x-ray single-crystal structure analysis. From the results of the magnetic susceptibility and specific heat experiments, this compound is found to be a 5f-localized paramagnet with the singlet ground state in the crystalline electric field (CEF) scheme. Fermi surface properties were measured using the de Haas-van Alphen (dHvA) technique. Long-period oscillations were observed in the dHvA frequency range of 9.1 x 10{sup 5} to 1.9 x 10{sup 7} Oe, indicating small cross-sectional areas of Fermi surfaces, which is consistent with a small Brillouin zone based on a large unit cell. From the results of dHvA and magnetoresistance experiments, the Fermi surface of NpCd{sub 11} is found to consist of many kinds of closed Fermi surfaces and a multiply-connected-like Fermi surface, although the result of energy band calculations based on the 5f-localized Np{sup 3+}(5f{sup 4}) configuration reveals the existence of only closed Fermi surfaces. The corresponding cyclotron effective mass is small, ranging from 0.1 to 0.7 m{sub 0}, which is consistent with a small electronic specific heat coefficient {gamma} {approx_equal} 10mJ/K{sup 2{center_dot}}mol, revealing no hybridization between the 5f electrons and conduction electrons.

  12. Quantitative analysis of doped/undoped ZnO nanomaterials using laser assisted atom probe tomography: Influence of the analysis parameters

    Energy Technology Data Exchange (ETDEWEB)

    Amirifar, Nooshin; Lardé, Rodrigue, E-mail: rodrigue.larde@univ-rouen.fr; Talbot, Etienne; Pareige, Philippe; Rigutti, Lorenzo; Mancini, Lorenzo; Houard, Jonathan; Castro, Celia [Groupe de Physique des Matériaux, UMR CNRS 6634, Université et INSA de Rouen, Avenue de l' Université, BP 12, 76801 Saint Etienne du Rouvray (France); Sallet, Vincent; Zehani, Emir; Hassani, Said; Sartel, Corine [Groupe d' étude de la Matière Condensée (GEMAC), CNRS Université de Versailles St Quentin, 45 Avenue des Etats-Unis, 78035 Versailles Cedex (France); Ziani, Ahmed; Portier, Xavier [Centre de Recherche sur les Ions, les Matériaux et la Photonique (CIMAP), UMR 6252 CEA-CNRS-ENSICAEN, Université de Caen, 14050 Caen (France)

    2015-12-07

    In the last decade, atom probe tomography has become a powerful tool to investigate semiconductor and insulator nanomaterials in microelectronics, spintronics, and optoelectronics. In this paper, we report an investigation of zinc oxide nanostructures using atom probe tomography. We observed that the chemical composition of zinc oxide is strongly dependent on the analysis parameters used for atom probe experiments. It was observed that at high laser pulse energies, the electric field at the specimen surface is strongly dependent on the crystallographic directions. This dependence leads to an inhomogeneous field evaporation of the surface atoms, resulting in unreliable measurements. We show that the laser pulse energy has to be well tuned to obtain reliable quantitative chemical composition measurements of undoped and doped ZnO nanomaterials.

  13. Unit cell geometry of multiaxial preforms for structural composites

    Science.gov (United States)

    Ko, Frank; Lei, Charles; Rahman, Anisur; Du, G. W.; Cai, Yun-Jia

    1993-01-01

    The objective of this study is to investigate the yarn geometry of multiaxial preforms. The importance of multiaxial preforms for structural composites is well recognized by the industry but, to exploit their full potential, engineering design rules must be established. This study is a step in that direction. In this work the preform geometry for knitted and braided preforms was studied by making a range of well designed samples and studying them by photo microscopy. The structural geometry of the preforms is related to the processing parameters. Based on solid modeling and B-spline methodology a software package is developed. This computer code enables real time structural representations of complex fiber architecture based on the rule of preform manufacturing. The code has the capability of zooming and section plotting. These capabilities provide a powerful means to study the effect of processing variables on the preform geometry. the code also can be extended to an auto mesh generator for downstream structural analysis using finite element method. This report is organized into six sections. In the first section the scope and background of this work is elaborated. In section two the unit cell geometries of braided and multi-axial warp knitted preforms is discussed. The theoretical frame work of yarn path modeling and solid modeling is presented in section three. The thin section microscopy carried out to observe the structural geometry of the preforms is the subject in section four. The structural geometry is related to the processing parameters in section five. Section six documents the implementation of the modeling techniques into the computer code MP-CAD. A user manual for the software is also presented here. The source codes and published papers are listed in the Appendices.

  14. Energy gradients with respect to atomic positions and cell parameters for the Kohn-Sham density-functional theory at the Gamma point.

    Science.gov (United States)

    Weber, Valéry; Tymczak, Christopher J; Challacombe, Matt

    2006-06-14

    The application of theoretical methods based on density-functional theory is known to provide atomic and cell parameters in very good agreement with experimental values. Recently, construction of the exact Hartree-Fock exchange gradients with respect to atomic positions and cell parameters within the Gamma-point approximation has been introduced. In this article, the formalism is extended to the evaluation of analytical Gamma-point density-functional atomic and cell gradients. The infinite Coulomb summation is solved with an effective periodic summation of multipole tensors. While the evaluation of Coulomb and exchange-correlation gradients with respect to atomic positions are similar to those in the gas phase limit, the gradients with respect to cell parameters needs to be treated with some care. The derivative of the periodic multipole interaction tensor needs to be carefully handled in both direct and reciprocal space and the exchange-correlation energy derivative leads to a surface term that has its origin in derivatives of the integration limits that depend on the cell. As an illustration, the analytical gradients have been used in conjunction with the QUICCA algorithm to optimize one-dimensional and three-dimensional periodic systems at the density-functional theory and hybrid Hartree-Fock/density-functional theory levels. We also report the full relaxation of forsterite supercells at the B3LYP level of theory.

  15. New hexagonal structure for silicon atoms

    Science.gov (United States)

    Naji, S.; Belhaj, A.; Labrim, H.; Benyoussef, A.; El Kenz, A.

    2012-11-01

    Motivated by recent experimental and theoretical works on silicene and its derived materials and based on the exceptional Lie algebra G2 we propose a new hexagonal symmetry producing the (√3 × √3)R30° superstructure for silicon atoms. The principal hexagonal unit cell contains twelve atoms instead of the usual structure involving only six ones and it is associated with the G2 root system. In this silicon atom configuration appears two hexagons of unequal side length at angle 30°. This atomic structure can be tessellated to exhibit two superstructures (1 × 1) and (√3 × √3)R30° on the same atomic sheet. To test this double hexagonal structure, we perform a numerical study using Ab-initio calculations based on FPLO9.00-34 code. We observe that the usual silicon electronic properties and the lattice parameters of planar geometry are modified. In particular, the corresponding material becomes a conductor rather than zero gaped semi-conductor arising in single hexagonal structure. Although the calculation is done for silicon atoms, we expect that this structure could be adapted to all two dimensional materials having a single hexagonal flat geometry.

  16. Learning about the Unit Cell and Crystal Lattice with Computerized Simulations and Games: A Pilot Study

    Science.gov (United States)

    Luealamai, Sutha; Panijpan, Bhinyo

    2012-01-01

    The authors have developed a computer-based learning module on the unit cell of various types of crystal. The module has two components: the virtual unit cell (VUC) part and the subsequent unit cell hunter part. The VUC is a virtual reality simulation for students to actively arrive at the unit cell from exploring, from a broad view, the crystal…

  17. Learning about the Unit Cell and Crystal Lattice with Computerized Simulations and Games: A Pilot Study

    Science.gov (United States)

    Luealamai, Sutha; Panijpan, Bhinyo

    2012-01-01

    The authors have developed a computer-based learning module on the unit cell of various types of crystal. The module has two components: the virtual unit cell (VUC) part and the subsequent unit cell hunter part. The VUC is a virtual reality simulation for students to actively arrive at the unit cell from exploring, from a broad view, the crystal…

  18. Scattering amplitudes and static atomic correction factors for the composition-sensitive 002 reflection in sphalerite ternary III-V and II-VI semiconductors.

    Science.gov (United States)

    Schowalter, M; Müller, K; Rosenauer, A

    2012-01-01

    Modified atomic scattering amplitudes (MASAs), taking into account the redistribution of charge due to bonds, and the respective correction factors considering the effect of static atomic displacements were computed for the chemically sensitive 002 reflection for ternary III-V and II-VI semiconductors. MASAs were derived from computations within the density functional theory formalism. Binary eight-atom unit cells were strained according to each strain state s (thin, intermediate, thick and fully relaxed electron microscopic specimen) and each concentration (x = 0, …, 1 in 0.01 steps), where the lattice parameters for composition x in strain state s were calculated using continuum elasticity theory. The concentration dependence was derived by computing MASAs for each of these binary cells. Correction factors for static atomic displacements were computed from relaxed atom positions by generating 50 × 50 × 50 supercells using the lattice parameter of the eight-atom unit cells. Atoms were randomly distributed according to the required composition. Polynomials were fitted to the composition dependence of the MASAs and the correction factors for the different strain states. Fit parameters are given in the paper.

  19. Experimental verification of a one-parameter scaling law for the quantum and "classical" resonances of the atom-optics kicked rotor

    CERN Document Server

    Wimberger, S M; Parkins, S; Leonhardt, R; Wimberger, Sandro; Sadgrove, Mark; Parkins, Scott; Leonhardt, Rainer

    2005-01-01

    We present experimental measurements of the mean energy in the vicinity of the first and second quantum resonances of the atom optics kicked rotor for a number of different experimental parameters. Our data is rescaled and compared with the one parameter epsilon--classical scaling function developed to describe the quantum resonance peaks. Additionally, experimental data is presented for the ``classical'' resonance which occurs in the limit as the kicking period goes to zero. This resonance is found to be analogous to the quantum resonances, and a similar one-parameter classical scaling function is derived, and found to match our experimental results. The width of the quantum and classical resonance peaks is compared, and their Sub-Fourier nature examined.

  20. Fabrication and characteristics of unit cell for SOFC

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Gwi-Yeol; Eom, Seung-Wook; Moon, Seong-In [Korea Electrotechnology Research Institute, Kyongnam (Korea, Republic of)] [and others

    1996-12-31

    Research and development on solid oxide fuel cells in Korea have been mainly focused on unit cell and small stack. Fuel cell system is called clean generation system which not cause NOx or SOx. It is generation efficiency come to 50-60% in contrast to 40% of combustion generation system. Among the fuel cell system, solid oxide fuel cell is constructed of ceramics, so stack construction is simple, power density is very high, and there are no corrosion problems. The object of this study is to develop various composing material for SOFC generation system, and to test unit cell performance manufactured. So we try to present a guidance for developing mass power generation system. We concentrated on development of manufacturing process for cathode, anode and electrolyte.

  1. Inter-channel effects in monosolvated atomic iodide cluster anion detachment: correlation of the anisotropy parameter with solvent dipole moment.

    Science.gov (United States)

    Mbaiwa, Foster; Dao, Diep; Holtgrewe, Nicholas; Lasinski, Joshua; Mabbs, Richard

    2012-03-21

    Photoelectron imaging results are presented for I(-)[middle dot]X cluster anions (X = CO(2), C(4)H(5)N [pyrrole], (CH(3))(2)CO, CH(3)NO(2)). The available detachment channels are labeled according to the neutral iodine atom states produced (channel I ≡ (2)P(3/2) and channel II ≡ (2)P(1/2)). At photon energies in the vicinity of the channel II threshold these data are compared to previously reported results for I(-)[middle dot]X (X = CH(3)CN, CH(3)Cl, CH(3)Br, and H(2)O). In particular, these results show a strong connection between the dipole moment of the solvent molecule and the behavior of the channel I photoelectron angular distributions in this region, which is consistent with an electronic autodetachment process. The evolution of the channel II:channel I branching ratios in this excitation regime supports this contention.

  2. Inter-channel effects in monosolvated atomic iodide cluster anion detachment: Correlation of the anisotropy parameter with solvent dipole moment

    Science.gov (United States)

    Mbaiwa, Foster; Dao, Diep; Holtgrewe, Nicholas; Lasinski, Joshua; Mabbs, Richard

    2012-03-01

    Photoelectron imaging results are presented for I-.X cluster anions (X = CO2, C4H5N [pyrrole], (CH3)2CO, CH3NO2). The available detachment channels are labeled according to the neutral iodine atom states produced (channel I ≡ 2P3/2 and channel II ≡ 2P1/2). At photon energies in the vicinity of the channel II threshold these data are compared to previously reported results for I-.X (X = CH3CN, CH3Cl, CH3Br, and H2O). In particular, these results show a strong connection between the dipole moment of the solvent molecule and the behavior of the channel I photoelectron angular distributions in this region, which is consistent with an electronic autodetachment process. The evolution of the channel II:channel I branching ratios in this excitation regime supports this contention.

  3. The effect of new interstellar medium parameters on the heliosphere and energetic neutral atoms from the interstellar boundary

    Energy Technology Data Exchange (ETDEWEB)

    Heerikhuisen, J.; Zirnstein, E. J.; Pogorelov, N. V.; Zank, G. P. [Department of Space Science and Center for Space Plasma and Aeronomic Research, University of Alabama in Huntsville, Huntsville, AL 35899 (United States); Funsten, H. O., E-mail: jacob.heerikhuisen@uah.edu [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2014-03-20

    We present new results from three-dimensional simulations of the solar wind interaction with the local interstellar medium (LISM) using recent observations by NASA's Interstellar Boundary EXplorer (IBEX) mission estimates of the velocity and temperature of the LISM. We investigate four strengths of the LISM magnetic field, from 1 to 4 μG, and adjust the LISM proton and hydrogen densities so that the distance to the termination shock (TS) in the directions of the Voyager spacecraft is just below 90 AU, and the density of hydrogen at the TS is close to 0.09 cm{sup –3} in the nose direction. The orientation of the magnetic field is chosen to point toward the center of the ribbon of enhanced energetic neutral atom (ENA) flux seen in the IBEX data. Our simulations show that the plasma and neutral properties in the outer heliosheath vary considerably as a function of the LISM magnetic field strength. We also show that the heliotail points downwind in all cases, though its structure is strongly affected by the external magnetic field. Comparison and consistency between the simulated ENA flux and the circularity of the ribbon as measured by IBEX are most consistent with a LISM magnetic field strength aligned with the center of the ribbon and a magnitude in the range 2.5-3 μG.

  4. Parameters affecting the adhesion strength between a living cell and a colloid probe when measured by the atomic force microscope.

    Science.gov (United States)

    McNamee, Cathy E; Pyo, Nayoung; Tanaka, Saaya; Vakarelski, Ivan U; Kanda, Yoichi; Higashitani, Ko

    2006-03-15

    In this study, we used the colloid probe atomic force microscopy (AFM) technique to investigate the adhesion force between a living cell and a silica colloid particle in a Leibovitz's L-15 medium (L-15). The L-15 liquid maintained the pharmaceutical conditions necessary to keep the cells alive in the outside environment during the AFM experiment. The force curves in such a system showed a steric repulsion in the compression force curve, due to the compression of the cells by the colloid probe, and an adhesion force in the decompression force curve, due to binding events between the cell and the probe. We also investigated for the first time how the position on the cell surface, the strength of the pushing force, and the residence time of the probe at the cell surface individually affected the adhesion force between a living cell and a 6.84 microm diameter silica colloid particle in L-15. The position of measuring the force on the cell surface was seen not to affect the value of the maximum adhesion force. The loading force was also seen not to notably affect the value of the maximum adhesion force, if it was small enough not to pierce and damage the cell. The residence time of the probe at the cell surface, however, clearly affected the adhesion force, where a longer residence time gave a larger maximum force. From these results, we could conclude that the AFM force measurements should be made using a loading force small enough not to damage the cell and a fixed residence time, when comparing results of different systems.

  5. Zero loss magnetic metamaterials using powered active unit cells.

    Science.gov (United States)

    Yuan, Yu; Popa, Bogdan-Ioan; Cummer, Steven A

    2009-08-31

    We report the design and experimental measurement of a powered active magnetic metamaterial with tunable permeability. The unit cell is based on the combination of an embedded radiofrequency amplifier and a tunable phase shifter, which together control the response of the medium. The measurements show that a negative permeability metamaterial with zero loss or even gain can be achieved through an array of such metamaterial cells. This kind of active metamaterial can find use in applications that are performance limited due to material losses.

  6. Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

    Science.gov (United States)

    Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple

  7. Atomic phase diagram

    Institute of Scientific and Technical Information of China (English)

    LI Shichun

    2004-01-01

    Based on the Thomas-Fermi-Dirac-Cheng model, atomic phase diagram or electron density versus atomic radius diagram describing the interaction properties of atoms of different kinds in equilibrium state is developed. Atomic phase diagram is established based on the two-atoms model. Besides atomic radius, electron density and continuity condition for electron density on interfaces between atoms, the lever law of atomic phase diagram involving other physical parameters is taken into account, such as the binding energy, for the sake of simplicity.

  8. Laser Molecular Beam Epitaxy Growth of BaTiO3 in Seven Thousands of Unit-Cell Layers

    Institute of Scientific and Technical Information of China (English)

    HUANG Yan-Hong; YANG Guo-Zhen; HE Meng; ZHAO Kun; TIAN Huan-Fang; L(U) Hui-Bin; JIN Kui-Juan; CHEN Zheng-Hao; ZHOU Yue-Liang; LI Jian-Qi

    2005-01-01

    @@ BaTiO3 thin films in seven thousands of unit-cell layers have been successfully fabricated on SrTiO3 (001)substrates by laser molecular beam epitaxy. The fine streak pattern and the undamping intensity oscillation of reflection high-energy electron diffraction indicate that the BaTiO3 film was layer-by-layer epitaxial growth. The measurements of scanning electron microscopy and atomic force microscopy show that surfaces of the BaTiO3thin film are atomically smooth. The measurements of x-ray diffraction and transmission electron microscopy,as well as selected-area electron diffraction revealthat the BaTiO3 thin film is a c-oriented epitaxial crystalline structure.

  9. First-principles investigation of the effect of charged unit cell on the electronic structure of two-dimensional MoS2

    Science.gov (United States)

    Shekaari, Ashkan; Abolhassani, Mohammad Reza; Lashgari, Hamed

    2017-01-01

    Density-functional theory has been applied to investigate the effect of charged unit cell on the structural and electronic properties of two-dimensional MoS2 within PBE-GGA. The charge of the unit cell of the monolayer changes from zero to n = ± 4 e with e the absolute value of the elementary electric charge. Variations of the lattice constant, Mo-S bond length, S-Mo-S bond angle, total energy, exchange and correlation contributions, and the Fermi level versus n have been calculated quantitatively, indicating decrease in the stability of the atomic structure of the monolayer with increase in the absolute value of n. It is found that the Fermi level for two-dimensional MoS2 is a function of both the number of electrons in allowed states and the inverse of the volume of the unit cell. The electronic properties of each monolayer have been also calculated via examining the related electronic band structure and density of states. Results broadly support the view that the effect of charged unit cell (n =+ e to - 4 e) on the electronic properties of MoS2 monolayer is manifested in the form of semiconductor-to-metal transition in addition to the Fermi level shift. It is also verified that as the negative charge of the unit cell increases from n = - e to - 4 e , there is an ever-increasing trend in the total number of allowed electronic states at the Fermi level, implying a direct correlation between electrical conductivity and the value of n in a way that the more negative the charge of the unit cell, the higher the electrical conductivity of the monolayer.

  10. Picometer registration of zinc impurity states in Bi2Sr2CaCu2O8+δ for phase determination in intra-unit-cell Fourier transform STM

    Science.gov (United States)

    Hamidian, M. H.; Firmo, I. A.; Fujita, K.; Mukhopadhyay, S.; Orenstein, J. W.; Eisaki, H.; Uchida, S.; Lawler, M. J.; Kim, E.-A.; Davis, J. C.

    2012-05-01

    Direct visualization of electronic-structure symmetry within each crystalline unit cell is a new technique for complex electronic matter research (Lawler et al 2010 Nature 466 347-51, Schmidt et al 2011 New J. Phys. 13 065014, Fujita K et al 2012 J. Phys. Soc. Japan 81 011005). By studying the Bragg peaks in Fourier transforms of electronic structure images and particularly by resolving both the real and imaginary components of the Bragg amplitudes, distinct types of intra-unit-cell symmetry breaking can be studied. However, establishing the precise symmetry point of each unit cell in real space is crucial in defining the phase for such a Bragg-peak Fourier analysis. Exemplary of this challenge is the high-temperature superconductor Bi2Sr2CaCu2O8+δ for which the surface Bi atom locations are observable, while it is the invisible Cu atoms that define the relevant CuO2 unit-cell symmetry point. Here we demonstrate, by imaging with picometer precision the electronic impurity states at individual Zn atoms substituted at Cu sites, that the phase established using the Bi lattice produces a ˜2%(2π) error relative to the actual Cu lattice. Such a phase assignment error would not diminish reliability in the determination of intra-unit-cell rotational symmetry breaking at the CuO2 plane (Lawler et al 2010 Nature 466 347-51, Schmidt et al 2011 New J. Phys. 13 065014, Fujita K et al 2012 J. Phys. Soc. Japan 81 011005). Moreover, this type of impurity atom substitution at the relevant symmetry site can be of general utility in phase determination for the Bragg-peak Fourier analysis of intra-unit-cell symmetry.

  11. Single fibre and multifibre unit cell analysis of strength and cracking of unidirectional composites

    DEFF Research Database (Denmark)

    Wang, H.W.; Zhou, H.W.; Mishnaevsky, Leon

    2009-01-01

    Numerical simulations of damage evolution in composites reinforced with single and multifibre are presented. Several types of unit cell models are considered: single fibre unit cell, multiple fibre unit cell with one and several damageable sections per fibres, unit cells with homogeneous...... damageable parts in composites (matrix cracks, fibre/matrix interface damage and fibre fracture) was observed in the simulations. The strength of interface begins to influence the deformation behaviour of the cell only after the fibre is broken. In this case, the higher interface layer strength leads...... and inhomogeneous interfaces, etc. Two numerical damage models, cohesive elements, and damageable layers are employed for the simulation of the damage evolution in single fibre and multifibre unit cells. The two modelling approaches were compared and lead to the very close results. Competition among the different...

  12. Single-unit-cell layer established Bi 2 WO 6 3D hierarchical architectures: Efficient adsorption, photocatalysis and dye-sensitized photoelectrochemical performance

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Hongwei; Cao, Ranran; Yu, Shixin; Xu, Kang; Hao, Weichang; Wang, Yonggang; Dong, Fan; Zhang, Tierui; Zhang, Yihe

    2017-12-01

    Single-layer catalysis sparks huge interests and gains widespread attention owing to its high activity. Simultaneously, three-dimensional (3D) hierarchical structure can afford large surface area and abundant reactive sites, contributing to high efficiency. Herein, we report an absorbing single-unit-cell layer established Bi2WO6 3D hierarchical architecture fabricated by a sodium dodecyl benzene sulfonate (SDBS)-assisted assembled strategy. The DBS- long chains can adsorb on the (Bi2O2)2+ layers and hence impede stacking of the layers, resulting in the single-unit-cell layer. We also uncovered that SDS with a shorter chain is less effective than SDBS. Due to the sufficient exposure of surface O atoms, single-unit-cell layer 3D Bi2WO6 shows strong selectivity for adsorption on multiform organic dyes with different charges. Remarkably, the single-unit-cell layer 3D Bi2WO6 casts profoundly enhanced photodegradation activity and especially a superior photocatalytic H2 evolution rate, which is 14-fold increase in contrast to the bulk Bi2WO6. Systematic photoelectrochemical characterizations disclose that the substantially elevated carrier density and charge separation efficiency take responsibility for the strengthened photocatalytic performance. Additionally, the possibility of single-unit-cell layer 3D Bi2WO6 as dye-sensitized solar cells (DSSC) has also been attempted and it was manifested to be a promising dye-sensitized photoanode for oxygen evolution reaction (ORR). Our work not only furnish an insight into designing single-layer assembled 3D hierarchical architecture, but also offer a multi-functional material for environmental and energy applications.

  13. Calculating NMR parameters in aluminophosphates: evaluation of dispersion correction schemes.

    Science.gov (United States)

    Sneddon, Scott; Dawson, Daniel M; Pickard, Chris J; Ashbrook, Sharon E

    2014-02-14

    Periodic density functional theory (DFT) calculations have recently emerged as a popular tool for assigning solid-state nuclear magnetic resonance (NMR) spectra. However, in order for the calculations to yield accurate results, accurate structural models are also required. In many cases the structural model (often derived from crystallographic diffraction) must be optimised (i.e., to an energy minimum) using DFT prior to the calculation of NMR parameters. However, DFT does not reproduce weak long-range "dispersion" interactions well, and optimisation using some functionals can expand the crystallographic unit cell, particularly when dispersion interactions are important in defining the structure. Recently, dispersion-corrected DFT (DFT-D) has been extended to periodic calculations, to compensate for these missing interactions. Here, we investigate whether dispersion corrections are important for aluminophosphate zeolites (AlPOs) by comparing the structures optimised by DFT and DFT-D (using the PBE functional). For as-made AlPOs (containing cationic structure-directing agents (SDAs) and framework-bound anions) dispersion interactions appear to be important, with significant changes between the DFT and DFT-D unit cells. However, for calcined AlPOs, where the SDA-anion pairs are removed, dispersion interactions appear much less important, and the DFT and DFT-D unit cells are similar. We show that, while the different optimisation strategies yield similar calculated NMR parameters (providing that the atomic positions are optimised), the DFT-D optimisations provide structures in better agreement with the experimental diffraction measurements. Therefore, it appears that DFT-D calculations can, and should, be used for the optimisation of calcined and as-made AlPOs, in order to provide the closest agreement with all experimental measurements.

  14. Effect of external energy on atomic, crystalline and powder characteristics of antimony and bismuth powders

    Indian Academy of Sciences (India)

    Vikram V Dabhade; Rama Mohan R Tallapragada; Mahendra Kumar Trivedi

    2009-10-01

    Next to atoms and molecules the powders are the smallest state of matter available in high purities and large quantities. The effect of any external energy on the shape, morphology and structure can thus be studied with relative ease. The present investigation deals with the effect of a non-contact external energy on the powders of antimony and bismuth. The characteristics of powders treated by external energy are compared with the as received powders (control). The average particle sizes, 50 and 99, the sizes below which 99% of the particles are present showed significant increase and decrease indicating that the energy had caused deformation and fracture as if the powders have been subjected to high energy milling. To be able to understand the reasons for these changes the powders are characterized by techniques such as X-ray diffraction (XRD), surface area determination (BET), thermal analytical techniques such as DTA–DTG, DSC–TGA and SDTA and scanning electron microscopy (SEM). The treated powder samples exhibited remarkable changes in the powder characteristics at all structural levels starting from polycrystalline particles, through single crystal to atoms. The external energy had changed the lattice parameters of the unit cell which in turn changed the crystallite size and density. The lattice parameters are then used to compute the weight and effective nuclear charge of the atom which showed significant variation. It is speculated that the external energy is acting on the nucleus through some reversible weak interaction of larger cross section causing changes in the proton to neutron ratios. Thus the effect is felt by all the atoms, and hence the unit cell, single crystal grain and grain boundaries. The stresses generated in turn may have caused deformation or fracture of the weak interfaces such as the crystallite and grain boundaries.

  15. Dielectric Behavior of Low Microwave Loss Unit Cell for All Dielectric Metamaterial

    OpenAIRE

    Tianhuan Luo; Bo Li; Qian Zhao; Ji Zhou

    2015-01-01

    With a deep study of the metamaterial, its unit cells have been widely extended from metals to dielectrics. The dielectric based unit cells attract much attention because of the advantage of easy preparation, tunability, and higher frequency response, and so forth. Using the conventional solid state method, we prepared a kind of incipient ferroelectrics (calcium titanate, CaTiO3) with higher microwave permittivity and lower loss, which can be successfully used to construct metamaterials. The ...

  16. Efficiency of the unit cell in rectangular finned tube arrangements

    Energy Technology Data Exchange (ETDEWEB)

    Buzzoni, Luca; Dall' Olio, Roberto; Spiga, Marco [Bologna Univ., DIENCA, Bologna (Italy)

    1999-11-01

    This paper is aimed at presenting an investigation concerning the efficiency of the single unit in finned air-cooled heat exchangers with staggered and in-line bundles of rectangular ducts, where a hot process fluid flows inside extended-surface tubes and atmospheric air is circulated outside, over the extended surface. The differential energy equation is numerically solved by a finite difference technique, in order to determine the spatial temperature profiles, then the fin efficiency and the augmentation factor are calculated by a simple numerical integration. The results show that the temperature distribution and the fin performance depend on four dimensionless parameters (m,{beta},p{sub x},p{sub y}), the first accounting for the heat transfer condition, the other ones accounting for the geometry of the extended surface (tube aspect ratio and pitches). Several tables are presented, allowing the efficiency of the extended surface to be deduced as a function of the thermal and geometric parameters. (Author)

  17. Diffractive stacks of metamaterial lattices with a complex unit cell: Self-consistent long-range bianisotropic interactions in experiment and theory

    Science.gov (United States)

    Kwadrin, Andrej; Koenderink, A. Femius

    2014-01-01

    Metasurfaces and metamaterials promise arbitrary rerouting of light using two-dimensional (2D) planar arrangements of electric and magnetic scatterers, respectively, 3D stacks built out of such 2D planes. An important problem is how to self-consistently model the response of these systems in a manner that retains dipole intuition yet does full justice to the self-consistent multiple scattering via near-field and far-field retarded interactions. We set up such a general model for metamaterial lattices of complex 2D unit cells of poly-atomic basis as well as allowing for stacking in a third dimension. In particular, each scatterer is quantified by a magnetoelectric polarizability tensor and Ewald lattice summation deals with all near-field and long-range retarded electric, magnetic, and magnetoelectric couplings self-consistently. We show in theory and experiment that grating diffraction orders of dilute split ring lattices with complex unit cells show a background-free signature of magnetic dipole response. For denser lattices experiment and theory show that complex unit cells can reduce the apparent effect of bianisotropy, i.e., the strong oblique-incidence handed response that was reported for simple split ring lattices. Finally, the method is applied to calculate transmission of finite stacks of lattices. Thereby our simple methodology allows us to trace the emergence of effective material constants when building a 3D metamaterial layer by layer, as well as facilitating the design of metasurfaces.

  18. A Micromechanical Unit Cell Model of 2 × 2 Twill Woven Fabric Textile Composite for Multi Scale Analysis

    Science.gov (United States)

    Dixit, A.; Mali, H. S.; Misra, R. K.

    2014-04-01

    Woven fabric based composite materials are being considered for potential structural applications in automotive and aircraft industries due to their better out of plane strength, stiffness and toughness properties than ordinary composite laminates. This paper presents the micromechanical unit cell model of 2 × 2 twill woven fabric textile composite for the estimation of in-plane elastic properties. Modelling of unit cell and its analysis for this new model is developed by using open source coded tool TexGen and finite element software, ABAQUS® respectively. The predicted values are in good agreement with the experimental results reported in literature. To ascertain the effectiveness of the developed model parametric studies have also been conducted on the predicted elastic properties in order to investigate the effects of various geometric parameters such as yarn spacing, fabric thickness, yarn width and fibre volume fraction. The scope of altering weave pattern and yarn characteristics is facilitated in this developed model. Further this model can be implemented for the multi-scale micro/macro-mechanical analysis for the calculation of strength and stiffness of laminates structure made of 2 × 2 twill composite.

  19. Physical conditions in the cool parts of prominences and spicules - The effects of model atom level truncation on the derived plasma parameters

    Science.gov (United States)

    Landman, D. A.

    1986-01-01

    The effects on calculated lower-level population densities of the truncation of Na and Sr(+) model atoms are determined in the context of the present spectral diagnostic scheme for solar prominences and spicules. It is shown that neglect of the upper atomic levels in Na, in particular, leads to overestimates in electron density and gas pressure by factors of about 2 and about 4, respectively, and to underestimates in the degree of hydrogen ionization and in the line-of-sight thickness of emitting material again by factors of about 2 and about 4, respectively. The implications of the revised emitting region extents, in particular, on the validity of the diagnostic method for these features are discussed.

  20. Ultra-wideband, Wide Angle and Polarization-insensitive Specular Reflection Reduction by Metasurface based on Parameter-adjustable Meta-Atoms

    Science.gov (United States)

    Su, Jianxun; Lu, Yao; Zhang, Hui; Li, Zengrui; (Lamar) Yang, Yaoqing; Che, Yongxing; Qi, Kainan

    2017-02-01

    In this paper, an ultra-wideband, wide angle and polarization-insensitive metasurface is designed, fabricated, and characterized for suppressing the specular electromagnetic wave reflection or backward radar cross section (RCS). Square ring structure is chosen as the basic meta-atoms. A new physical mechanism based on size adjustment of the basic meta-atoms is proposed for ultra-wideband manipulation of electromagnetic (EM) waves. Based on hybrid array pattern synthesis (APS) and particle swarm optimization (PSO) algorithm, the selection and distribution of the basic meta-atoms are optimized simultaneously to obtain the ultra-wideband diffusion scattering patterns. The metasurface can achieve an excellent RCS reduction in an ultra-wide frequency range under x- and y-polarized normal incidences. The new proposed mechanism greatly extends the bandwidth of RCS reduction. The simulation and experiment results show the metasurface can achieve ultra-wideband and polarization-insensitive specular reflection reduction for both normal and wide-angle incidences. The proposed methodology opens up a new route for realizing ultra-wideband diffusion scattering of EM wave, which is important for stealth and other microwave applications in the future.

  1. Dephasing in an atom

    OpenAIRE

    2011-01-01

    When an atom in vacuum is near a surface of a dielectric the energy of a fluctuating electromagnetic field depends on a distance between them resulting, as known, in the force called van der Waals one. Besides this fluctuation phenomenon there is one associated with formation of a mean electric field which is equivalent to an order parameter. In this case atomic electrons are localized within atomic distances close to the atom and the total ground state energy is larger, compared to the bare ...

  2. Unit cell sparger test program and analysis of test results

    Energy Technology Data Exchange (ETDEWEB)

    Park, Choon Kyung; Song, C. H.; Cho, S.; Yoon, Y. J

    2003-11-01

    This report presents the results of test data from CPT-3 test and the effect of important parameters on the IRWST load. The object of CPT-3 test is to determine the influence of air mass in the piping on the IRWST (In-containment Refueling Water Storage Tank) boundary during an operation of Safety Depressurization and Vent System (SDVS). The test was conducted from an initial system pressure of 15.2 MPa, a steam temperature of 343.3 .deg. C, and an air mass of 3.34 lb. Following valve actuation, the pressure within the discharge line underwent pressure transient due to high pressure steam from the pressurizer and the discharged high pressure air formed air bubbles, which expanded and compressed periodically in the simulated IRWST. Air bubble oscillation was terminated within 2 s into the test. The magnitude of the pressure wave during the air clearing period was inversely proportional to the distance and very abrupt pressure spikes were observed in case the distance from the sparger holes to the submerged structure was less than 0.9 m. After the isolation valves were closed, the water in the simulated IRWST was considered to rise up to the 2.4m from the water surface in the quench tank. The amount of air mass in the piping, water temperature in the simulated IRWST, air temperature in the piping had not significant effect on the pressure loading during an air clearing period. However, the opening time of the isolation valve, steam mass flow rate, and submergence of an sparger have been shown to have great effects on the pressure loading during an air clearing period. 2 % of sparger flow area seems to be sufficient for the vacuum breaker area to mitigate the water hammering caused by abrupt water level rising during valve closure.

  3. Prediction of stress-strain behavior of ceramic matrix composites using unit cell model

    Directory of Open Access Journals (Sweden)

    Suzuki Takuya

    2015-01-01

    Full Text Available In this study, the elastic modulus and the stress-strain curve of ceramic matrix composites (CMCs were predicted by using the unit cell model that consists of fiber bundles and matrix. The unit cell model was developed based on the observation of cross sections of CMCs. The elastic modulus of CMCs was calculated from the results of finite element analysis using the developed model. The non-linear behavior of stress-strain curve of CMCs was also predicted by taking the degradation of the elastic modulus into consideration, where the degradation was related to the experimentally measured crack density in CMCs. The approach using the unit cell model was applied to two kinds of CMCs, and good agreement was obtained between the experimental and the calculated results.

  4. Mechanical behavior of regular open-cell porous biomaterials made of diamond lattice unit cells.

    Science.gov (United States)

    Ahmadi, S M; Campoli, G; Amin Yavari, S; Sajadi, B; Wauthle, R; Schrooten, J; Weinans, H; Zadpoor, A A

    2014-06-01

    Cellular structures with highly controlled micro-architectures are promising materials for orthopedic applications that require bone-substituting biomaterials or implants. The availability of additive manufacturing techniques has enabled manufacturing of biomaterials made of one or multiple types of unit cells. The diamond lattice unit cell is one of the relatively new types of unit cells that are used in manufacturing of regular porous biomaterials. As opposed to many other types of unit cells, there is currently no analytical solution that could be used for prediction of the mechanical properties of cellular structures made of the diamond lattice unit cells. In this paper, we present new analytical solutions and closed-form relationships for predicting the elastic modulus, Poisson׳s ratio, critical buckling load, and yield (plateau) stress of cellular structures made of the diamond lattice unit cell. The mechanical properties predicted using the analytical solutions are compared with those obtained using finite element models. A number of solid and porous titanium (Ti6Al4V) specimens were manufactured using selective laser melting. A series of experiments were then performed to determine the mechanical properties of the matrix material and cellular structures. The experimentally measured mechanical properties were compared with those obtained using analytical solutions and finite element (FE) models. It has been shown that, for small apparent density values, the mechanical properties obtained using analytical and numerical solutions are in agreement with each other and with experimental observations. The properties estimated using an analytical solution based on the Euler-Bernoulli theory markedly deviated from experimental results for large apparent density values. The mechanical properties estimated using FE models and another analytical solution based on the Timoshenko beam theory better matched the experimental observations. Copyright © 2014 Elsevier Ltd

  5. Growth of Casting Microcrack and Micropore in Single-crystal Superalloys Analysed by Three-Dimensional Unit Cell

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Finite element (FE) analysis was employed to investigate the casting microcrack and micropore growth in nickel-base single-crystal superalloys DD3. Based on the finite deformation rate-dependent crystallographic constitutive equation, the simulations of casting microcrack and micropore growth in three-dimensional unit cell model were carried out in a range of parameters including stress triaxiality, Lode parameter and type of activated slip systems. The FE results show that the stress triaxiality has profound effects on growth behavior,and the Lode parameter is also important for the casting microcrack and micropore growth. The type of operative slip systems has remarkable effect on casting microcrack and micropore growth, so the life of singlecrystal component is associated with the type of activated slip systems, which is related to Schmid factor and the number of activated slip systems. The growth comparison between microcrack and micropore reveals that when the material is subjected to large deformation, the growth rate of microcrack is faster than that of micropore, i.e. microcrack is more dangerous than micropore; the microcrack is easier to result in brittle fracture than micropore. The stress triaxiality and Lode parameter have strong influence on the growth of microcrack and micropore.

  6. High light-extraction-efficiency OLED based on photonic crystal slab structures with taper unit cells

    Institute of Scientific and Technical Information of China (English)

    YAN Rong-jin; WANG Qing-kang

    2006-01-01

    To improve the light-extraction-efficiency of OLED,we introduced PCS (Photonic Crystal Slab) structures into the interface of ITO layer and glass substrate.PCS structures with Taper unit cells are proved to be effective in reducing the energy of guided wave trapped in high refractive index material,and an increase of light-extraction-efficiency to 95.26% is gained.This enhancement is much greater than the traditional PCS with cylinder unit cells (60%-70%).Physical mechanisms of light-extraction-efficiency enhancement in these structures are further discussed.

  7. UNIQUAC interaction parameters for molecules with -OH groups on adjacent carbon atoms in aqueous solution determined by molecular mechanics - glycols, glycerol and glucose

    DEFF Research Database (Denmark)

    Jonsdottir, Svava Osk; Klein, R. A.

    1997-01-01

    UNIQUAC interaction parameters have been determined, using molecular mechanics calculations, for 1,2-ethanediol, 1,2-propanediol, glycerol and glucose with water in aqueous solution. Conformational space for individual pairs of molecules was explored using a stochastic method, the Boltzmann Jump...

  8. 3D-Printing Crystallographic Unit Cells for Learning Materials Science and Engineering

    Science.gov (United States)

    Rodenbough, Philip P.; Vanti, William B.; Chan, Siu-Wai

    2015-01-01

    Introductory materials science and engineering courses universally include the study of crystal structure and unit cells, which are by their nature highly visual 3D concepts. Traditionally, such topics are explored with 2D drawings or perhaps a limited set of difficult-to-construct 3D models. The rise of 3D printing, coupled with the wealth of…

  9. Predication of Plastic Flow Characteristics in Ferrite/Pearlite Steel Using a Fern Unit Cell Method

    Institute of Scientific and Technical Information of China (English)

    Hong Li; Jingtao Han; Jing Liu; Lv Zhang

    2004-01-01

    The flow stress of ferrite/pearlite steel under uni-axial tension was simulated with finite element method (FEM) by applying commercial software MARC/MENTAT. Flow stress curves of ferrite/pearlite steels were calculated based on unit cell model. The effects of volume fraction, distribution and the aspect ratio of pearlite on tensile properties have been investigated.

  10. 3D-Printing Crystallographic Unit Cells for Learning Materials Science and Engineering

    Science.gov (United States)

    Rodenbough, Philip P.; Vanti, William B.; Chan, Siu-Wai

    2015-01-01

    Introductory materials science and engineering courses universally include the study of crystal structure and unit cells, which are by their nature highly visual 3D concepts. Traditionally, such topics are explored with 2D drawings or perhaps a limited set of difficult-to-construct 3D models. The rise of 3D printing, coupled with the wealth of…

  11. Mitigation of Unwanted Forward Narrow-band Radiation from PCBs with a Metamaterial Unit Cell

    DEFF Research Database (Denmark)

    Ruaro, Andrea; Thaysen, Jesper; Jakobsen, Kaj Bjarne

    2013-01-01

    Mitigation of EMI from a PCB is obtained through the use of a metamaterial unit cell. The focus is on the reduction of narrow-band radiation in the forward hemisphere when the resonant element is etched on a layer located between the source of radiation and the ground plane. As opposed to previou...

  12. Experimental broadband absorption enhancement in silicon nanohole structures with optimized complex unit cells.

    Science.gov (United States)

    Lin, Chenxi; Martínez, Luis Javier; Povinelli, Michelle L

    2013-09-09

    We design silicon membranes with nanohole structures with optimized complex unit cells that maximize broadband absorption. We fabricate the optimized design and measure the optical absorption. We demonstrate an experimental broadband absorption about 3.5 times higher than an equally-thick thin film.

  13. Young-type interferences using single-electron sources and an atomic-size two-center interferometer: Dependence with interferometer parameters

    Energy Technology Data Exchange (ETDEWEB)

    Fremont, F. [Unite mixte Universite de Caen, CNRS, CEA, Ensicaen, CIMAP, 6 bd du Mal Juin, 14050 Caen Cedex (France)], E-mail: francois.fremont@ensicaen.fr; Suarez, S. [Centro Atomico Bariloche and Instituto Balseiro (Comision Nacional de Energia Atomica and Universidad Nacional de Cuyo), 8400 S.C. de Bariloche, Rio Negro (Argentina); Barrachina, R.O. [Laboratoire de Chimie Physique-Matiere et Rayonnement, Universite Pierre et Marie Curie, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Hajaji, A. [Unite mixte Universite de Caen, CNRS, CEA, Ensicaen, CIMAP, 6 bd du Mal Juin, 14050 Caen Cedex (France); Sisourat, N.; Dubois, A. [Laboratoire de Chimie Physique-Matiere et Rayonnement, Universite Pierre et Marie Curie, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Chesnel, J.-Y. [Unite mixte Universite de Caen, CNRS, CEA, Ensicaen, CIMAP, 6 bd du Mal Juin, 14050 Caen Cedex (France)

    2009-01-15

    We present the realization of a Young-type double-slit experiment, in which single electrons, scattering on two protons, produce interference pattern. The electrons are produced by a Auger effect, following double capture process in low He{sup 2+} + H{sub 2} collisions. Well-defined oscillations are visible in the angular distribution of the electrons emitted towards the receding protons. The presence of these oscillations is a clear demonstration that an electron interferes with itself. We also discuss the dependence of the interference pattern with interference parameters, such as the electron wavelength as well as the distance between the protons when the electron is ejected.

  14. Coaxial airblast atomizers

    Science.gov (United States)

    Hardalupas, Y.; Whitelaw, J. H.

    1993-01-01

    An experimental investigation was performed to quantify the characteristics of the sprays of coaxial injectors with particular emphasis on those aspects relevant to the performance of rocket engines. Measurements for coaxial air blast atomizers were obtained using air to represent the gaseous stream and water to represent the liquid stream. A wide range of flow conditions were examined for sprays with and without swirl for gaseous streams. The parameters varied include Weber number, gas flow rate, liquid flow rate, swirl, and nozzle geometry. Measurements were made with a phase Doppler velocimeter. Major conclusions of the study focused upon droplet size as a function of Weber number, effect of gas flow rate on atomization and spray spread, effect of nozzle geometry on atomization and spread, effect of swirl on atomization, spread, jet recirculation and breakup, and secondary atomization.

  15. Atomic energy

    CERN Multimedia

    1996-01-01

    Interviews following the 1991 co-operation Agreement between the Department of Atomic Energy (DAE) of the Government of India and the European Organization for Nuclear Research (CERN) concerning the participation in the Large Hadron Collider Project (LHC) . With Chidambaram, R, Chairman, Atomic Energy Commission and Secretary, Department of Atomic Energy, Department of Atomic Energy (DAE) of the Government of India and Professor Llewellyn-Smith, Christopher H, Director-General, CERN.

  16. Atom chips

    CERN Document Server

    Reichel, Jakob

    2010-01-01

    This book provides a stimulating and multifaceted picture of a rapidly developing field. The first part reviews fundamentals of atom chip research in tutorial style, while subsequent parts focus on the topics of atom-surface interaction, coherence on atom chips, and possible future directions of atom chip research. The articles are written by leading researchers in the field in their characteristic and individual styles.

  17. Sub-Angstrom Atomic-Resolution Imaging of Heavy Atoms to Light Atoms

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, Michael A.; Shao-Horn, Yang

    2003-05-23

    Three decades ago John Cowley and his group at ASU achieved high-resolution electron microscope images showing the crystal unit cell contents at better than 4Angstrom resolution. Over the years, this achievement has inspired improvements in resolution that have enabled researchers to pinpoint the positions of heavy atom columns within the cell. More recently, this ability has been extended to light atoms as resolution has improved. Sub-Angstrom resolution has enabled researchers to image the columns of light atoms (carbon, oxygen and nitrogen) that are present in many complex structures. By using sub-Angstrom focal-series reconstruction of the specimen exit surface wave to image columns of cobalt, oxygen, and lithium atoms in a transition metal oxide structure commonly used as positive electrodes in lithium rechargeable batteries, we show that the range of detectable light atoms extends to lithium. HRTEM at sub-Angstrom resolution will provide the essential role of experimental verification for the emergent nanotech revolution. Our results foreshadow those to be expected from next-generation TEMs with Cs-corrected lenses and monochromated electron beams.

  18. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  19. Full potential calculations and atom in molecule analysis of the bonding properties of perovskites Borides XRh3B (X=Dy, Ho, Er

    Directory of Open Access Journals (Sweden)

    Ouahrani T.

    2013-03-01

    Full Text Available ab initio calculations were performed for the cubic perovskites Borides XRh3B, (X=Dy, Ho, Er. In this work, we have used the augmented plane-wave plus local orbital method to compute the equilibrium structural parameters and electronic structure of densities of states, as well as for the first time, prediction of the thermo-elastic properties of these crystals are presented. The chemical bonding of these compounds has been investigated by using of topological analyses grounded in the theory of atoms in molecules (AIM. All of the electron density critical points in the unit cell were systematically calculated in order to calculate basins interaction of each atoms and give exact classification of the bonding character.

  20. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Krüger, Peter; Hofferberth, S.; Haller, E.

    2005-01-01

    Miniaturized potentials near the surface of atom chips can be used as flexible and versatile tools for the manipulation of ultracold atoms on a microscale. The full scope of possibilities is only accessible if atom-surface distances can be reduced to microns. We discuss experiments in this regime...

  1. Understanding the ε and ζ High-Pressure Solid Phases of Oxygen. Systematic Periodic Density Functional Theory Studies Using Localized Atomic Basis.

    Science.gov (United States)

    Ochoa-Calle, A J; Zicovich-Wilson, C M; Hernández-Lamoneda, R; Ramírez-Solís, A

    2015-03-10

    The experimentally characterized ε and ζ phases of solid oxygen are studied by periodic Hartree-Fock (HF) and Density Functional Theory calculations at pressures from 10 to 160 GPa using different types of exchange-correlation functionals with Gaussian atomic basis sets. Full geometry optimizations of the monoclinic C2/m (O2)4 unit cell were done to study the evolution of the structural and electronic properties with pressure. Vibrational calculations were performed at each pressure. While periodic HF does not predict the ε-ζ phase transition in the considered range, Local Density approximation and Generalized Gradient approximation methods predict too low transition pressures. The performance of hybrid functional methods is dependent on the amount of non-local HF exchange. PBE0, M06, B3PW91, and B3LYP approaches correctly predict the structural and electronic changes associated with the phase transition. GGA and hybrid functionals predict a pressure range where both phases coexist, but only the latter type of methods yield results in agreement with experiment. Using the optimized (O2)4 unit cell at each pressure we show, through CASSCF(8,8) calculations, that the greater accuracy of the optimized geometrical parameters with increasing pressure is due to a decreasing multireference character of the unit cell wave function. The mechanism of the transition from the non-conducting to the conducting ζ phase is explained through the Electron Pair Localization Function, which clearly reveals chemical bonding between O2 molecules in the ab crystal planes belonging to different unit cells due to much shorter intercell O2-O2 distances.

  2. Hirshfeld atom refinement.

    Science.gov (United States)

    Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

    2014-09-01

    Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  3. Synthesis, Crystal Structure, and Magnetic Properties of Giant Unit Cell Intermetallics R117Co52+δSn112+γ (R = Y, La, Pr, Nd, Ho

    Directory of Open Access Journals (Sweden)

    Ping Chai

    2016-12-01

    Full Text Available Ternary intermetallics R117Co52+δSn112+γ (R = Y, La, Pr, Nd, and Ho have been prepared by arc-melting followed by annealing at 800 °C. All the compounds belong to the Tb117Fe52Ge112 structure type (space group Fm 3 ¯ m characterized by a complex giant cubic unit cell with a ~ 30 Å. The single-crystal structure determination of Y- and La-containing compounds reveals a significant structural disorder. A comparison of these and earlier reported crystal structures of R117Co52+δSn112+γ suggests that more extensive disorder occurs for structures that contain larger lanthanide atoms. This observation can be explained by the need to maintain optimal bonding interactions as the size of the unit cell increases. Y117Co56Sn115 exhibits weak paramagnetism due to the Co sublattice and does not show magnetic ordering in the 1.8–300 K range. Ho117Co55Sn108 shows ferromagnetic ordering at 10.6 K. Both Pr117Co54Sn112 and Nd117Co54Sn111 exhibit antiferromagnetic ordering at 17 K and 24.7 K, respectively, followed by a spin reorientation transition at lower temperature.

  4. Kr atoms and their clustering in zeolite A

    CERN Document Server

    Lim, W T; Jung, K J; Heo, N H

    2001-01-01

    The positions of Kr atoms encapsulated in the molecular-dimensioned cavities of fully dehydrated zeolite A of unit-cell composition Cs sub 3 Na sub 8 HSi sub 1 sub 2 Al sub 1 sub 2 O sub 4 sub 8 (Cs sub 3 -A) have been determined. Cs sub 3 -A was exposed to 1025 atm of krypton gas at 400 .deg. C for four days, followed by cooling at pressure to encapsulate Kr atoms. The resulting crystal structure of Cs sub 3 -A(6Kr) (a=12.247(2) A, R sub 1 =0.078, and R sub 2 =0.085) has been determined by single-crystal X-ray diffraction techniques in the cubic space group Pm3m at 21(1) .deg. C and 1 atm. In the crystal structure of Cs sub 3 -A(6Kr), six Kr atoms per unit cell are distributed over three crystallographically distinct positions: each unit cell contains one Kr atom at Kr(1) on a threefold axis in the sodalite unit, three at Kr(2) opposite four-rings in the large cavity , and two at Kr(3) on threefold axes in the large cavity . Relatively strong interactions of Kr atoms at Kr(1) and Kr(3) with Na sup + ions of ...

  5. Study on Unit Cell Models and the Effective Thermal Conductivities of Silica Aerogel.

    Science.gov (United States)

    Liu, He; Li, Zeng-Yao; Zhao, Xin-Peng; Tao, Wen-Quan

    2015-04-01

    In this paper, two modified unit cell models, truncated octahedron and cubic array of intersecting square rods with 45-degree rotation, are developed in consideration of the tortuous path of heat conduction in solid skeleton of silica aerogel. The heat conduction is analyzed for each model and the expressions of effective thermal conductivity of the modified unit cell models are derived. Considering the random microstructure of silica aerogel, the probability model is presented. We also discuss the effect of the thermal conductivity of aerogel backbone. The effective thermal conductivities calculated by the proposed probability model are in good agreement with available experimental data when the density of the aerogel is 110 kg/m3.

  6. Dielectric Behavior of Low Microwave Loss Unit Cell for All Dielectric Metamaterial

    Directory of Open Access Journals (Sweden)

    Tianhuan Luo

    2015-01-01

    Full Text Available With a deep study of the metamaterial, its unit cells have been widely extended from metals to dielectrics. The dielectric based unit cells attract much attention because of the advantage of easy preparation, tunability, and higher frequency response, and so forth. Using the conventional solid state method, we prepared a kind of incipient ferroelectrics (calcium titanate, CaTiO3 with higher microwave permittivity and lower loss, which can be successfully used to construct metamaterials. The temperature and frequency dependence of dielectric constant are also measured under different sintering temperatures. The dielectric spectra showed a slight permittivity decrease with the increase of temperature and exhibited a loss of 0.0005, combined with a higher microwave dielectric constant of ~167 and quality factor Q of 2049. Therefore, CaTiO3 is a kind of versatile and potential metamaterial unit cell. The permittivity of CaTiO3 at higher microwave frequency was also examined in the rectangular waveguide and we got the permittivity of 165, creating a new method to test permittivity at higher microwave frequency.

  7. Atomic bomb health benefits.

    Science.gov (United States)

    Luckey, T D

    2008-01-01

    Media reports of deaths and devastation produced by atomic bombs convinced people around the world that all ionizing radiation is harmful. This concentrated attention on fear of miniscule doses of radiation. Soon the linear no threshold (LNT) paradigm was converted into laws. Scientifically valid information about the health benefits from low dose irradiation was ignored. Here are studies which show increased health in Japanese survivors of atomic bombs. Parameters include decreased mutation, leukemia and solid tissue cancer mortality rates, and increased average lifespan. Each study exhibits a threshold that repudiates the LNT dogma. The average threshold for acute exposures to atomic bombs is about 100 cSv. Conclusions from these studies of atomic bomb survivors are: One burst of low dose irradiation elicits a lifetime of improved health.Improved health from low dose irradiation negates the LNT paradigm.Effective triage should include radiation hormesis for survivor treatment.

  8. Antiferromagnetic vs. non-magnetic ε phase of solid oxygen. Periodic density functional theory studies using a localized atomic basis set and the role of exact exchange.

    Science.gov (United States)

    Ramírez-Solís, A; Zicovich-Wilson, C M; Hernández-Lamoneda, R; Ochoa-Calle, A J

    2017-01-25

    The question of the non-magnetic (NM) vs. antiferromagnetic (AF) nature of the ε phase of solid oxygen is a matter of great interest and continuing debate. In particular, it has been proposed that the ε phase is actually composed of two phases, a low-pressure AF ε1 phase and a higher pressure NM ε0 phase [Crespo et al., Proc. Natl. Acad. Sci. U. S. A., 2014, 111, 10427]. We address this problem through periodic spin-restricted and spin-polarized Kohn-Sham density functional theory calculations at pressures from 10 to 50 GPa using calibrated GGA and hybrid exchange-correlation functionals with Gaussian atomic basis sets. The two possible configurations for the antiferromagnetic (AF1 and AF2) coupling of the 0 ≤ S ≤ 1 O2 molecules in the (O2)4 unit cell were studied. Full enthalpy-driven geometry optimizations of the (O2)4 unit cells were done to study the pressure evolution of the enthalpy difference between the non-magnetic and both antiferromagnetic structures. We also address the evolution of structural parameters and the spin-per-molecule vs. pressure. We find that the spin-less solution becomes more stable than both AF structures above 50 GPa and, crucially, the spin-less solution yields lattice parameters in much better agreement with experimental data at all pressures than the AF structures. The optimized AF2 broken-symmetry structures lead to large errors of the a and b lattice parameters when compared with experiments. The results for the NM model are in much better agreement with the experimental data than those found for both AF models and are consistent with a completely non-magnetic (O2)4 unit cell for the low-pressure regime of the ε phase.

  9. Atomic physics

    CERN Document Server

    Born, Max

    1989-01-01

    The Nobel Laureate's brilliant exposition of the kinetic theory of gases, elementary particles, the nuclear atom, wave-corpuscles, atomic structure and spectral lines, electron spin and Pauli's principle, quantum statistics, molecular structure and nuclear physics. Over 40 appendices, a bibliography, numerous figures and graphs.

  10. Atomic Calligraphy

    Science.gov (United States)

    Imboden, Matthias; Pardo, Flavio; Bolle, Cristian; Han, Han; Tareen, Ammar; Chang, Jackson; Christopher, Jason; Corman, Benjamin; Bishop, David

    2013-03-01

    Here we present a MEMS based method to fabricate devices with a small number of atoms. In standard semiconductor fabrication, a large amount of material is deposited, after which etching removes what is not wanted. This technique breaks down for structures that approach the single atom limit, as it is inconceivable to etch away all but one atom. What is needed is a bottom up method with single or near single atom precision. We demonstrate a MEMS device that enables nanometer position controlled deposition of gold atoms. A digitally driven plate is swept as a flux of gold atoms passes through an aperture. Appling voltages on four comb capacitors connected to the central plate by tethers enable nanometer lateral precision in the xy plane over 15x15 sq. microns. Typical MEMS structures have manufacturing resolutions on the order of a micron. Using a FIB it is possible to mill apertures as small as 10 nm in diameter. Assuming a low incident atomic flux, as well as an integrated MEMS based shutter with microsecond response time, it becomes possible to deposit single atoms. Due to their small size and low power consumption, such nano-printers can be mounted directly in a cryogenic system at ultrahigh vacuum to deposit clean quench condensed metallic structures.

  11. Nuclear effects in atomic transitions

    OpenAIRE

    Pálffy, Adriana

    2011-01-01

    Atomic electrons are sensitive to the properties of the nucleus they are bound to, such as nuclear mass, charge distribution, spin, magnetization distribution, or even excited level scheme. These nuclear parameters are reflected in the atomic transition energies. A very precise determination of atomic spectra may thus reveal information about the nucleus, otherwise hardly accessible via nuclear physics experiments. This work reviews theoretical and experimental aspects of the nuclear effects ...

  12. Optimize parameters of hydride generation-atomic fluorescence spectrometry for inorganic arsenic determination in grain%氢化物发生-原子荧光法测定粮食中无机砷条件的研究

    Institute of Scientific and Technical Information of China (English)

    杨庆惠

    2012-01-01

    应用氢化物发生—原子荧光分析技术进行粮食中无机砷测定的研究,通过优化酸度、硼氢化钾、载气流量、灯电流以及原子化器高度等分析条件,结果表明,砷浓度在0~30 ng/ml内呈线性关系,相关系数为0.999 9,相对标准偏差为1.6%,检出限为0.054 μg/L,用此方法测定粮食中无机砷,回收率为96.5%~103.5%.该方法简便、快速、灵敏,在实际样品测定中获得到了满意的结果,便于推广应用.%Hydride generation- atomic fluorescence spectrometry was adopted for determine the inorganic arsenic in grain. The experimental parameters such as Ph, KHB4 concentration, flow rate, lamp current and the height of atomizer were optimized. There is linear relation when the arsenic concentration was between 0~30 ng/ml with a correlation coefficient of 0. 999 9. The relative standard deviation was 1. 6%, and the detection limit was 0. 054μg/L. The recovery rate reached to 96. 5%~103. 5%. This method is simple,rapid and sensitive, and got satisfactory results in practicle,it is worth for generalize.

  13. Atomic and Electronic Structures of Zr Atomic Chains

    Institute of Scientific and Technical Information of China (English)

    林益寿; 李爱玉; 朱梓忠

    2004-01-01

    The atomic, binding and electronic structures of very thin Zr chains are studied by the first-principles densityfunctional method. The present calculations reveal that zirconium can form planar chains in zigzag, dimer and ladder structures. The zigzag geometry has two minima. The most stable geometry is the zigzag one with a unit cell rather close to equilateral triangles with four nearest neighbours. The other stable zigzag structure has a wide bond angle and allows for two nearest neighbours. An intermediary structure has the ladder geometry and is formed by two strands. The dimer structure is also found to be more stable than the truly linear chain. All these planar geometries are more favourable energetically than the linear chain. We also show that by going from Zr bulk to a Zr chain, the characters of bonding do not change significantly.

  14. Some properties of 2-D dielectric-based ENG/MNG material parameters extracted using the S-parameter method

    DEFF Research Database (Denmark)

    Wu, Yunqiu; Arslanagic, Samel

    This work presents a systematic investigation of material parameters for two-dimensional epsilon-negative (ENG) and mu-negative (MNG) materials as obtained by the scattering parameter method. The unit cell consists of infinite dielectric cylinders, their sizes and permittivities are chosen...... to enable the ENG and MNG behaviors. For the both configurations, the permittivity and the permeability is reported. Influence of several effects on the extracted material parameters is examined, including the loss inside the cylinders and the size of the unit cells...

  15. Influence of spatial and temporal coherences on atomic resolution high angle annular dark field imaging.

    Science.gov (United States)

    Beyer, Andreas; Belz, Jürgen; Knaub, Nikolai; Jandieri, Kakhaber; Volz, Kerstin

    2016-10-01

    Aberration-corrected (scanning) transmission electron microscopy ((S)TEM) has become a widely used technique when information on the chemical composition is sought on an atomic scale. To extract the desired information, complementary simulations of the scattering process are inevitable. Often the partial spatial and temporal coherences are neglected in the simulations, although they can have a huge influence on the high resolution images. With the example of binary gallium phosphide (GaP) we elucidate the influence of the source size and shape as well as the chromatic aberration on the high angle annular dark field (HAADF) intensity. We achieve a very good quantitative agreement between the frozen phonon simulation and experiment for different sample thicknesses when a Lorentzian source distribution is assumed and the effect of the chromatic aberration is considered. Additionally the influence of amorphous layers introduced by the preparation of the TEM samples is discussed. Taking into account these parameters, the intensity in the whole unit cell of GaP, i.e. at the positions of the different atomic columns and in the region between them, is described correctly. With the knowledge of the decisive parameters, the determination of the chemical composition of more complex, multinary materials becomes feasible.

  16. Fast atom diffraction from a β-Ga{sub 2}O{sub 3}(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Busch, M.; Meyer, E.; Winter, H. [Institut für Physik, Humboldt-Universität zu Berlin, Newtonstraße 15, D-12489 Berlin (Germany); Irmscher, K.; Galazka, Z. [Leibniz-Institut für Kristallzüchtung, Max-Born-Straße 2, D-12489 Berlin (Germany); Gärtner, K. [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, D-07743 Jena (Germany)

    2014-08-04

    Fast H, He atoms, and H{sub 2} molecules with projectile energies ranging from 200 eV up to 3 keV were scattered under a grazing angle of incidence from a clean and flat β-Ga{sub 2}O{sub 3}(100) surface. The bulk single crystal was grown by the Czochralski method and prepared via annealing under ultra-high vacuum conditions. For scattering along low-index directions, we observed defined diffraction patterns in the angular distributions for scattered projectiles. From the analysis of diffraction patterns, we derive the surface unit cell in good accord with the parameters b and c for the lattice of the bulk crystal and derive information on the termination of the surface.

  17. Failure mechanisms of additively manufactured porous biomaterials: Effects of porosity and type of unit cell.

    Science.gov (United States)

    Kadkhodapour, J; Montazerian, H; Darabi, A Ch; Anaraki, A P; Ahmadi, S M; Zadpoor, A A; Schmauder, S

    2015-10-01

    Since the advent of additive manufacturing techniques, regular porous biomaterials have emerged as promising candidates for tissue engineering scaffolds owing to their controllable pore architecture and feasibility in producing scaffolds from a variety of biomaterials. The architecture of scaffolds could be designed to achieve similar mechanical properties as in the host bone tissue, thereby avoiding issues such as stress shielding in bone replacement procedure. In this paper, the deformation and failure mechanisms of porous titanium (Ti6Al4V) biomaterials manufactured by selective laser melting from two different types of repeating unit cells, namely cubic and diamond lattice structures, with four different porosities are studied. The mechanical behavior of the above-mentioned porous biomaterials was studied using finite element models. The computational results were compared with the experimental findings from a previous study of ours. The Johnson-Cook plasticity and damage model was implemented in the finite element models to simulate the failure of the additively manufactured scaffolds under compression. The computationally predicted stress-strain curves were compared with the experimental ones. The computational models incorporating the Johnson-Cook damage model could predict the plateau stress and maximum stress at the first peak with less than 18% error. Moreover, the computationally predicted deformation modes were in good agreement with the results of scaling law analysis. A layer-by-layer failure mechanism was found for the stretch-dominated structures, i.e. structures made from the cubic unit cell, while the failure of the bending-dominated structures, i.e. structures made from the diamond unit cells, was accompanied by the shearing bands of 45°.

  18. Mechanical properties of regular porous biomaterials made from truncated cube repeating unit cells: Analytical solutions and computational models.

    Science.gov (United States)

    Hedayati, R; Sadighi, M; Mohammadi-Aghdam, M; Zadpoor, A A

    2016-03-01

    Additive manufacturing (AM) has enabled fabrication of open-cell porous biomaterials based on repeating unit cells. The micro-architecture of the porous biomaterials and, thus, their physical properties could then be precisely controlled. Due to their many favorable properties, porous biomaterials manufactured using AM are considered as promising candidates for bone substitution as well as for several other applications in orthopedic surgery. The mechanical properties of such porous structures including static and fatigue properties are shown to be strongly dependent on the type of the repeating unit cell based on which the porous biomaterial is built. In this paper, we study the mechanical properties of porous biomaterials made from a relatively new unit cell, namely truncated cube. We present analytical solutions that relate the dimensions of the repeating unit cell to the elastic modulus, Poisson's ratio, yield stress, and buckling load of those porous structures. We also performed finite element modeling to predict the mechanical properties of the porous structures. The analytical solution and computational results were found to be in agreement with each other. The mechanical properties estimated using both the analytical and computational techniques were somewhat higher than the experimental data reported in one of our recent studies on selective laser melted Ti-6Al-4V porous biomaterials. In addition to porosity, the elastic modulus and Poisson's ratio of the porous structures were found to be strongly dependent on the ratio of the length of the inclined struts to that of the uninclined (i.e. vertical or horizontal) struts, α, in the truncated cube unit cell. The geometry of the truncated cube unit cell approaches the octahedral and cube unit cells when α respectively approaches zero and infinity. Consistent with those geometrical observations, the analytical solutions presented in this study approached those of the octahedral and cube unit cells when

  19. High quality-factor fano metasurface comprising a single resonator unit cell

    Energy Technology Data Exchange (ETDEWEB)

    Sinclair, Michael B.; Warne, Larry K.; Basilio, Lorena I.; Langston, William L.; Campione, Salvatore; Brener, Igal; Liu, Sheng

    2017-06-20

    A new monolithic resonator metasurface design achieves ultra-high Q-factors while using only one resonator per unit cell. The metasurface relies on breaking the symmetry of otherwise highly symmetric resonators to induce intra-resonator mixing of bright and dark modes (rather than inter-resonator couplings), and is scalable from the near-infrared to radio frequencies and can be easily implemented in dielectric materials. The resulting high-quality-factor Fano metasurface can be used in many sensing, spectral filtering, and modulation applications.

  20. Unit cell modeling in support of interim performance assessment for low level tank waste disposal

    Energy Technology Data Exchange (ETDEWEB)

    Kline, N.W., Westinghouse Hanford

    1996-08-01

    A unit cell model is used to simulate the base analysis case and related sensitivity cases for the interim performance assessment of low level tank waste disposal. Simulation case results are summarized in terms of fractional contaminant release rates to the vadose zone and to the water table at the unconfined aquifer. Results suggest that the crushed glass water conditioning layer at the top of the facility and the chemical retardation pad at the bottom of the facility can be important components of the facility. Results also suggest that the release rates to the water table are dominated by the release rate from the waste form.

  1. Remote atom entanglement in a fibre-connected three-atom system

    Institute of Scientific and Technical Information of China (English)

    Guo Yan-Qing; Chen Jing; Song He-Shan

    2008-01-01

    An Ising-type atom-atom interaction is obtained in a fibre-connected three-atom system. The interaction is effective when △≈γO>>g.The preparations of remote two-atom and three-atom entanglements governed by this interaction are discussed in a specific parameter region.The overall two-atom entanglement is very small because of the existence of the third atom.However,the three-atom entanglement can reach a maximum very close to 1.

  2. Remote atom entanglement in a fiber-connected three-atom system

    OpenAIRE

    Yan-Qing, Guo; Jing, Chen; He-Shan, Song

    2008-01-01

    An Ising-type atom-atom interaction is obtained in a fiber-connected three-atom system. The interaction is effective when $\\Delta\\approx \\gamma _{0}\\gg g$. The preparations of remote two-atom and three-atom entanglement governed by this interaction are discussed in specific parameters region. The overall two-atom entanglement is very small because of the existence of the third atom. However, the three-atom entanglement can reach a maximum very close to 1.

  3. Emission Probability of the Cascade Three-Level-Atom Mazer with Injected Atomic Coherence

    Institute of Scientific and Technical Information of China (English)

    熊锦; 张智明

    2002-01-01

    We investigate the effects of the injected atomic coherence on the atomic emission probability of the micromaser injected with ultracold cascade three-level atoms by considering that the atoms are initially in the coherent superposition states of the two upper levels. We show that there is no interference between the transitions from the two upper levels to the lowest level. In the large atom-field-detuning case, the atomic emission probability decreases as the coherent parameter increases. In the zero atom-field-detuning case, the atomic emission probability has three sets of resonance peaks. The reason for these results has been explained.

  4. Atomic entanglement and decoherence

    Science.gov (United States)

    Genes, Claudiu

    The generation of entanglement in atomic systems plays a central topic in the fields of quantum information storage and processing. Moreover, a special category of entangled states of multi-atom ensembles, spin squeezed states, have been proven to lead to considerable improvement in the sensitivity of precision measurements compared to systems involving uncorrelated atoms. A treatment of entanglement in open systems is, however, incomplete without a precise description of the process of decoherence which necessarily accompanies it. The theory of entanglement and decoherence are the two main topics of this thesis. Methods are described for the generation of strong correlations in large atomic ensembles using either cavity quantum electrodynamics or measurement outcome conditioned quantum dynamics. Moreover, the description of loss of entanglement resulting from the coupling to a noise reservoir (electromagnetic vacuum) is explored. A spin squeezing parameter is used throughout this thesis as both a measure of entanglement strength and as an indication of the sensitivity improvement above the so-called standard quantum limit (sensitivity obtained with uncorrelated particles) in metrology. The first scheme considered consists of a single mode cavity field interacting with a collection of atoms for which spin squeezing is produced in both resonant and off-resonant regimes. In the resonant case, transfer of squeezing from a field state to the atoms is analyzed, while in the off-resonant regime squeezing is produced via an effective nonlinear interaction (one-axis twisting Hamiltonian). A second, more experimentally realistic case, is one involving the interaction of free space atoms with laser pulses; a projective measurement of a source field originating from atomic fluctuations provides a means of preparing atomic collective states such as spin squeezed and Schrodinger cat states. A new "unravelling" is proposed, that employs the detection of photon number in a single

  5. Kinetic Atom.

    Science.gov (United States)

    Wilson, David B.

    1981-01-01

    Surveys the research of scientists like Joule, Kelvin, Maxwell, Clausius, and Boltzmann as it comments on the basic conceptual issues involved in the development of a more precise kinetic theory and the idea of a kinetic atom. (Author/SK)

  6. Comparison of the cohesion-adhesion balance approach to colloidal probe atomic force microscopy and the measurement of Hansen partial solubility parameters by inverse gas chromatography for the prediction of dry powder inhalation performance.

    Science.gov (United States)

    Jones, Matthew D; Buckton, Graham

    2016-07-25

    The abilities of the cohesive-adhesive balance approach to atomic force microscopy (AFM) and the measurement of Hansen partial solubility parameters by inverse gas chromatography (IGC) to predict the performance of carrier-based dry powder inhaler (DPI) formulations were compared. Five model drugs (beclometasone dipropionate, budesonide, salbutamol sulphate, terbutaline sulphate and triamcinolone acetonide) and three model carriers (erythritol, α-lactose monohydrate and d-mannitol) were chosen, giving fifteen drug-carrier combinations. Comparison of the AFM and IGC interparticulate adhesion data suggested that they did not produce equivalent results. Comparison of the AFM data with the in vitro fine particle delivery of appropriate DPI formulations normalised to account for particle size differences revealed a previously observed pattern for the AFM measurements, with a slightly cohesive AFM CAB ratio being associated with the highest fine particle fraction. However, no consistent relationship between formulation performance and the IGC data was observed. The results as a whole highlight the complexity of the many interacting variables that can affect the behaviour of DPIs and suggest that the prediction of their performance from a single measurement is unlikely to be successful in every case.

  7. Unit cell-based computer-aided manufacturing system for tissue engineering.

    Science.gov (United States)

    Kang, Hyun-Wook; Park, Jeong Hun; Kang, Tae-Yun; Seol, Young-Joon; Cho, Dong-Woo

    2012-03-01

    Scaffolds play an important role in the regeneration of artificial tissues or organs. A scaffold is a porous structure with a micro-scale inner architecture in the range of several to several hundreds of micrometers. Therefore, computer-aided construction of scaffolds should provide sophisticated functionality for porous structure design and a tool path generation strategy that can achieve micro-scale architecture. In this study, a new unit cell-based computer-aided manufacturing (CAM) system was developed for the automated design and fabrication of a porous structure with micro-scale inner architecture that can be applied to composite tissue regeneration. The CAM system was developed by first defining a data structure for the computing process of a unit cell representing a single pore structure. Next, an algorithm and software were developed and applied to construct porous structures with a single or multiple pore design using solid freeform fabrication technology and a 3D tooth/spine computer-aided design model. We showed that this system is quite feasible for the design and fabrication of a scaffold for tissue engineering.

  8. Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors

    Science.gov (United States)

    Frandsen, Benjamin A.; Bozin, Emil S.; Hu, Hefei; Zhu, Yimei; Nozaki, Yasumasa; Kageyama, Hiroshi; Uemura, Yasutomo J.; Yin, Wei-Guo; Billinge, Simon J. L.

    2014-12-01

    Understanding the role played by broken-symmetry states such as charge, spin and orbital orders in the mechanism of emergent properties, such as high-temperature superconductivity, is a major current topic in materials research. That the order may be within one unit cell, such as nematic, was only recently considered theoretically, but its observation in the iron-pnictide and doped cuprate superconductors places it at the forefront of current research. Here, we show that the recently discovered BaTi2Sb2O superconductor and its parent compound BaTi2As2O form a symmetry-breaking nematic ground state that can be naturally explained as an intra-unit-cell nematic charge order with d-wave symmetry, pointing to the ubiquity of the phenomenon. These findings, together with the key structural features in these materials being intermediate between the cuprate and iron-pnictide high-temperature superconducting materials, render the titanium oxypnictides an important new material system to understand the nature of nematic order and its relationship to superconductivity.

  9. Atomic Coherence in the Micromaser Injected with Slow V-type Three-State Atoms: Emission Probability

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhi-Ming; LIANG Wen-Qing; XIE Sheng-Wu

    2001-01-01

    The effects of atomic coherence on the single-mode two-photon rnicromaser injected with slow V-type three-state atoms are studied for the first time. It is shown that the atomic coherence can modify the atomic emission probability. The effects of the atomic centre-of-mass momentum, the cavity length and other parameters are also studied.

  10. Hirshfeld atom refinement

    Directory of Open Access Journals (Sweden)

    Silvia C. Capelli

    2014-09-01

    Full Text Available Hirshfeld atom refinement (HAR is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly–l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree–Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs are freely refined without constraints or restraints – even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's, all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules, the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å2 as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements – an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  11. Two-dimensional atom localization via probe absorption in a four-level atomic system

    Institute of Scientific and Technical Information of China (English)

    Wang Zhi-Ping; Ge Qiang; Ruan Yu-Hua; Yu Ben-Li

    2013-01-01

    We have investigated the two-dimensional (2D) atom localization via probe absorption in a coherently driven fourlevel atomic system by means of a radio-frequency field driving a hyperfine transition.It is found that the detecting probability and precision of 2D atom localization can be significantly improved via adjusting the system parameters.As a result,our scheme may be helpful in laser cooling or the atom nano-lithography via atom localization.

  12. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

    Summarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr's work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and spec

  13. Electron correlation energies in atoms

    Science.gov (United States)

    McCarthy, Shane Patrick

    This dissertation is a study of electron correlation energies Ec in atoms. (1) Accurate values of E c are computed for isoelectronic sequences of "Coulomb-Hooke" atoms with varying mixtures of Coulombic and Hooke character. (2) Coupled-cluster calculations in carefully designed basis sets are combined with fully converged second-order Moller-Plesset perturbation theory (MP2) computations to obtain fairly accurate, non-relativistic Ec values for the 12 closed-shell atoms from Ar to Rn. The complete basis-set (CBS) limits of MP2 energies are obtained for open-shell atoms by computations in very large basis sets combined with a knowledge of the MP2/CBS limit for the next larger closed-shell atom with the same valence shell structure. Then higher-order correlation corrections are found by coupled-cluster calculations using basis sets that are not quite as large. The method is validated for the open-shell atoms from Al to Cl and then applied to get E c values, probably accurate to 3%, for the 4th-period open-shell atoms: K, Sc-Cu, and Ga-Br. (3) The results show that, contrary to quantum chemical folklore, MP2 overestimates |Ec| for atoms beyond Fe. Spin-component scaling arguments are used to provide a simple explanation for this overestimation. (4) Eleven non-relativistic density functionals, including some of the most widely-used ones, are tested on their ability to predict non-relativistic, electron correlation energies for atoms and their cations. They all lead to relatively poor predictions for the heavier atoms. Several novel, few-parameter, density functionals for the correlation energy are developed heuristically. Four new functionals lead to improved predictions for the 4th-period atoms without unreasonably compromising accuracy for the lighter atoms. (5) Simple models describing the variation of E c with atomic number are developed.

  14. Unit cell determination of coexisting post-perovskite and H-phase in (Mg,Fe)SiO3 using multigrain XRD: compositional variation across a laser heating spot at 119 GPa

    Science.gov (United States)

    Zhang, Li; Meng, Yue; Mao, Ho-kwang

    2016-12-01

    Multigrain X-ray diffraction (XRD) can be used to accurately calculate the unit cell parameters of individual mineral phases in a mineral assemblage contained in a diamond anvil cell (DAC). Coexisting post-perovskite (ppv) and H-phase were synthesized at 119 GPa and 2500 K from (Mg0.85Fe0.15)SiO3 in a laser-heated DAC. The unit cell parameters of the ppv and coexisting H-phase were determined using multigrain XRD with a 5 μm spatial resolution, close to the size of the X-ray beam, to understand compositional variations across the center area (20-30 μm) in a laser-heated sample. The ppv phase was Fe-depleted and the unit cell volume of ppv decreased by only 0.16 % (corresponding to ~3 % variation of FeSiO3) from the heating center to 10 μm off the center, while the sample pressure remained at 119 GPa in a Ne quasi-hydrostatic environment. The unit cell volume of the H-phase decreased by 0.54 % (~10 % variation of FeSiO3 content) over the same 10 μm distance. Both phases were more Fe-enriched in the slightly hotter center. This observation suggests that thermal diffusion may not be the major driver for the compositional variations of ppv and H-phase in the center portion of a laser-heated sample. Instead, these variations could be caused by a temperature effect on the partitioning between the ppv and H-phase over the small gradient.

  15. Exfoliation of natural van der Waals heterostructures to a single unit cell thickness

    Science.gov (United States)

    Velický, Matěj; Toth, Peter S.; Rakowski, Alexander M.; Rooney, Aidan P.; Kozikov, Aleksey; Woods, Colin R.; Mishchenko, Artem; Fumagalli, Laura; Yin, Jun; Zólyomi, Viktor; Georgiou, Thanasis; Haigh, Sarah J.; Novoselov, Kostya S.; Dryfe, Robert A. W.

    2017-02-01

    Weak interlayer interactions in van der Waals crystals facilitate their mechanical exfoliation to monolayer and few-layer two-dimensional materials, which often exhibit striking physical phenomena absent in their bulk form. Here we utilize mechanical exfoliation to produce a two-dimensional form of a mineral franckeite and show that the phase segregation of chemical species into discrete layers at the sub-nanometre scale facilitates franckeite's layered structure and basal cleavage down to a single unit cell thickness. This behaviour is likely to be common in a wider family of complex minerals and could be exploited for a single-step synthesis of van der Waals heterostructures, as an alternative to artificial stacking of individual two-dimensional crystals. We demonstrate p-type electrical conductivity and remarkable electrochemical properties of the exfoliated crystals, showing promise for a range of applications, and use the density functional theory calculations of franckeite's electronic band structure to rationalize the experimental results.

  16. Doping Scheme of Semiconducting Atomic Chains

    Science.gov (United States)

    Toshishige, Yamada; Saini, Subhash (Technical Monitor)

    1998-01-01

    Atomic chains, precise structures of atomic scale created on an atomically regulated substrate surface, are candidates for future electronics. A doping scheme for intrinsic semiconducting Mg chains is considered. In order to suppress the unwanted Anderson localization and minimize the deformation of the original band shape, atomic modulation doping is considered, which is to place dopant atoms beside the chain periodically. Group I atoms are donors, and group VI or VII atoms are acceptors. As long as the lattice constant is long so that the s-p band crossing has not occurred, whether dopant atoms behave as donors or acceptors is closely related to the energy level alignment of isolated atomic levels. Band structures are calculated for Br-doped (p-type) and Cs-doped (n-type) Mg chains using the tight-binding theory with universal parameters, and it is shown that the band deformation is minimized and only the Fermi energy position is modified.

  17. Laser Molecular Beam Epitaxy of Multilayer Heterostructure SrNb0.05 Ti0.95O3/La0.9Sr0.1MnO3 in 10000 Unit-Cell Layers

    Institute of Scientific and Technical Information of China (English)

    HUANG Yan-Hong; HE Meng; TIAN Huan-Fang; ZHAO Kun; L(U) Hui-Bin; JIN Kui-Juan; LI Jian-Qi; YANG Guo-Zhen

    2008-01-01

    Ten thousands of unit-cell multilayer heterosturctures, [SrNb0.05 Ti0.95 O3/La0.9Sr0.1MnO3]3 (SNTO/LSMO),have been epitaxial grown on SrTiO3 (001) substrates by laser molecular beam epitaxy. The monitor of insitu reflection high-energy electron diffraction demonstrates that the heterosturctures are layer-by-layer epitaxial growth. Atomic force microscope observation indicates that the surface of the heterosturcture is atomically smooth. The measurements of cross-sectional low magnification and high-resolution transmission electron microscopy as well as the corresponding selected area electron diffraction reveal that the interfaces are of perfect orientation, and the epitaxial crystalline structure shows the orientation relation of SNTO(001)//LSMO(001),and SNTO[100]//LSMO[100].

  18. High-energy atomic physics

    CERN Document Server

    Drukarev, Evgeny G

    2016-01-01

    This self-contained text introduces readers to the field of high-energy atomic physics - a new regime of photon-atom interactions in which the photon energies significantly exceed the atomic or molecular binding energies, and which opened up with the recent advent of new synchrotron sources. From a theoretical point of view, a small-parameter characteristic of the bound system emerged, making it possible to perform analytic perturbative calculations that can in turn serve as benchmarks for more powerful numerical computations. The first part of the book introduces readers to the foundations of this new regime and its theoretical treatment. In particular, the validity of the small-parameter perturbation expansion and of the lowest-order approximation is critically reviewed. The following chapters then apply these insights to various atomic processes, such as photoionization as a many-body problem, dominant mechanisms for the production of ions at higher energies, Compton scattering and ionization accompanied b...

  19. Atomic rivals

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B.

    1990-01-01

    This book is a memoir of rivalries among the Allies over the bomb, by a participant and observer. Nuclear proliferation began in the uneasy wartime collaboration of the United States, England, Canada, and Free France to produce the atom bomb. Through the changes of history, a young French chemist had a role in almost every act of this international drama. This memoir is based on Goldschmidt's own recollections, interviews with other leading figures, and 3,000 pages of newly declassified documents in Allied archives. From his own start as Marie Curie's lab assistant, Goldschmidt's career was closely intertwined with Frances complicated rise to membership in the nuclear club. As a refugee from the Nazis, he became part of the wartime nuclear energy project in Canada and found himself the only French scientist to work (although briefly) on the American atom bomb project.

  20. HRTEM Imaging of Atoms at Sub-Angstrom Resolution

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, Michael A.; Allard, Lawrence F.; Blom, Douglas A.

    2005-04-06

    John Cowley and his group at Arizona State University pioneered the use of transmission electron microscopy (TEM) for high-resolution imaging. Images were achieved three decades ago showing the crystal unit cell content at better than 4 Angstrom resolution. This achievement enabled researchers to pinpoint the positions of heavy atom columns within the unit cell. Lighter atoms appear as resolution is improved to sub-Angstrom levels. Currently, advanced microscopes can image the columns of the light atoms (carbon, oxygen, nitrogen) that are present in many complex structures, and even the lithium atoms present in some battery materials. Sub-Angstrom imaging, initially achieved by focal-series reconstruction of the specimen exit surface wave, will become common place for next-generation electron microscopes with CS-corrected lenses and monochromated electron beams. Resolution can be quantified in terms of peak separation and inter-peak minimum, but the limits imposed on the attainable resolution by the properties of the micro-scope specimen need to be considered. At extreme resolution the ''size'' of atoms can mean that they will not be resolved even when spaced farther apart than the resolution of the microscope.

  1. Atomic physics

    Energy Technology Data Exchange (ETDEWEB)

    Livingston, A.E.; Kukla, K.; Cheng, S. [Univ. of Toledo, OH (United States)] [and others

    1995-08-01

    In a collaboration with the Atomic Physics group at Argonne and the University of Toledo, the Atomic Physics group at the University of Notre Dame is measuring the fine structure transition energies in highly-charged lithium-like and helium-like ions using beam-foil spectroscopy. Precise measurements of 2s-2p transition energies in simple (few-electron) atomic systems provide stringent tests of several classes of current atomic- structure calculations. Analyses of measurements in helium-like Ar{sup 16+} have been completed, and the results submitted for publication. A current goal is to measure the 1s2s{sup 3}S{sub 1} - 1s2p{sup 3}P{sub 0} transition wavelength in helium-like Ni{sup 26+}. Measurements of the 1s2s{sup 2}S{sub 1/2} - 1s2p{sup 2}P{sub 1/2,3/2} transition wavelengths in lithium-like Kr{sup 33+} is planned. Wavelength and lifetime measurements in copper-like U{sup 63+} are also expected to be initiated. The group is also participating in measurements of forbidden transitions in helium-like ions. A measurement of the lifetime of the 1s2s{sup 3}S{sub 1} state in Kr{sup 34+} was published recently. In a collaboration including P. Mokler of GSI, Darmstadt, measurements have been made of the spectral distribution of the 2E1 decay continuum in helium-like Kr{sup 34+}. Initial results have been reported and further measurements are planned.

  2. Flame-in-gas-shield and miniature diffusion flame hydride atomizers for atomic fluorescence spectrometry: optimization and comparison

    OpenAIRE

    Marschner, K; Musil, S. (Stanislav); Dědina, J. (Jiří)

    2015-01-01

    A detailed optimization of relevant experimental parameters of two hydride atomizers for atomic fluorescence spectrometry: flame-in-gas-shield atomizer with a two-channel shielding unit and a standard atomizer for atomic fluorescence spectrometry, miniature diffusion flame, was performed. Arsine, generated by the reaction with NaBH4 in a flow injection arrangement, was chosen as the model hydride. Analytical characteristics of both the atomizers (sensitivity, noise, limits of detection) were ...

  3. Review of atomic mass formula

    Energy Technology Data Exchange (ETDEWEB)

    Tachibana, Takahiro [Waseda Univ., Tokyo (Japan). Advanced Research Center for Science and Engineering

    1997-07-01

    Wapstra and Audi`s Table is famous for evaluation of experimental data of atomic nuclear masses (1993/1995 version) which estimated about 2000 kinds of nuclei. The error of atomic mass of formula is 0.3 MeV-0.8 MeV. Four kinds of atomic mass formula: JM (Jaenecke and Masson), TUYY (Tachibana, Uno, Yamada and Yamada), FRDM (Moeller, Nix, Myers and Swiatecki) and ETFSI (Aboussir, Pearson, Dutta and Tondeur) and their properties (number of parameter and error etc.) were explained. An estimation method of theoretical error of mass formula was presented. It was estimated by the theoretical error of other surrounding nuclei. (S.Y.)

  4. Experiments with Ξ- atoms

    Science.gov (United States)

    Batty, C. J.; Friedman, E.; Gal, A.

    1999-01-01

    Experiments with Ξ- atoms are proposed in order to study the nuclear interaction of Ξ hyperons. The production of Ξ- in the (K-,K+) reaction, the Ξ- stopping in matter, and its atomic cascade are incorporated within a realistic evaluation of the results expected for Ξ- x-ray spectra across the periodic table, using an assumed Ξ-nucleus optical potential Vopt. Several optimal targets for measuring the strong-interaction shift and width of the x-ray transition to the ``last'' atomic level observed are singled out: F, Cl, I, and Pb. The sensitivity of these observables to the parameters of Vopt is considered. The relevance of such experiments is discussed in the context of strangeness -2 nuclear physics and multistrange nuclear matter. Finally, with particular reference to searches for the H dibaryon, the properties of Ξ-d atoms are also discussed. The role of Stark mixing and its effect on S and P state capture of Ξ- by the deuteron together with estimates of the resulting probability for producing the H dibaryon are considered in detail.

  5. Zitterbewegung in Cold Atoms

    Science.gov (United States)

    Penteado, Poliana; Egues, J. Carlos

    2013-03-01

    In condensed matter systems, the coupling between spatial and spin degrees of freedom through the spin-orbit (SO) interaction offers the possibility of manipulating the electron spin via its orbital motion. The proposal by Datta and Das of a `spin transistor' for example, highlights the use of the SO interaction to control the electron spin via electrical means. Recently, arrangements of crossed lasers and magnetic fields have been used to trap and cool atoms in optical lattices and also to create light-induced gauge potentials, which mimic the SO interactions in real solids. In this work, we investigate the Zitterbewegung in cold atoms by starting from the effective SO Hamiltonian derived in Ref.. Cross-dressed atoms as effective spins can provide a proper setting in which to observe this effect, as the relevant parameter range of SO strengths may be more easily attainable in this context. We find a variety of peculiar Zitterbewegung orbits in real and pseudo-spin spaces, e.g., cycloids and ellipses - all of which obtained with realistic parameters. This work is supported by FAPESP, CAPES and CNPq.

  6. The Atomic orbitals of the topological atom

    OpenAIRE

    Ramos-Cordoba, Eloy; Salvador Sedano, Pedro

    2013-01-01

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These c...

  7. Atomsk: A tool for manipulating and converting atomic data files

    Science.gov (United States)

    Hirel, Pierre

    2015-12-01

    We present a libre, Open Source command-line program named Atomsk, that aims at creating and manipulating atomic systems for the purposes of ab initio calculations, classical atomistic calculations, and visualization, in the areas of computational physics and chemistry. The program can run on GNU/Linux, Apple Mac OS X, and Microsoft Windows platforms. Many file formats are supported, allowing for easy conversion of atomic configuration files. The command-line options allow to construct supercells, insert point defects (vacancies, interstitials), line defects (dislocations, cracks), plane defects (stacking faults), as well as other transformations. Several options can be applied consecutively, allowing for a comprehensive workflow from a unit cell to the final atomic system. Some modes allow to construct complex structures, or to perform specific analysis of atomic systems.

  8. Highly Efficient and Exceptionally Durable CO2 Photoreduction to Methanol over Freestanding Defective Single-Unit-Cell Bismuth Vanadate Layers.

    Science.gov (United States)

    Gao, Shan; Gu, Bingchuan; Jiao, Xingchen; Sun, Yongfu; Zu, Xiaolong; Yang, Fan; Zhu, Wenguang; Wang, Chengming; Feng, Zimou; Ye, Bangjiao; Xie, Yi

    2017-03-08

    Unearthing an ideal model for disclosing the role of defect sites in solar CO2 reduction remains a great challenge. Here, freestanding gram-scale single-unit-cell o-BiVO4 layers are successfully synthesized for the first time. Positron annihilation spectrometry and X-ray fluorescence unveil their distinct vanadium vacancy concentrations. Density functional calculations reveal that the introduction of vanadium vacancies brings a new defect level and higher hole concentration near Fermi level, resulting in increased photoabsorption and superior electronic conductivity. The higher surface photovoltage intensity of single-unit-cell o-BiVO4 layers with rich vanadium vacancies ensures their higher carriers separation efficiency, further confirmed by the increased carriers lifetime from 74.5 to 143.6 ns revealed by time-resolved fluorescence emission decay spectra. As a result, single-unit-cell o-BiVO4 layers with rich vanadium vacancies exhibit a high methanol formation rate up to 398.3 μmol g(-1) h(-1) and an apparent quantum efficiency of 5.96% at 350 nm, much larger than that of single-unit-cell o-BiVO4 layers with poor vanadium vacancies, and also the former's catalytic activity proceeds without deactivation even after 96 h. This highly efficient and spectrally stable CO2 photoconversion performances hold great promise for practical implementation of solar fuel production.

  9. Rotary cup slurry atomization

    Science.gov (United States)

    Sommer, H. T.; Marnicio, R. J.

    1983-06-01

    The theory of a two-phase flow in a rotating cup atomizer is described. The analysis considers the separation of the solid and liquid media thus realistically modeling the flow of two layers along the inner cup wall: a slurry of increasing solids concentration and a supernatent liquid layer. The analysis is based on the earlier work of Hinze and Milborn (1950) which addressed the flow within a rotary cup for a homogeneous liquid. The superimposition of a settling velocity under conditions of high centrifugal acceleration permits the extended analysis of the separation of the two phases. Appropriate boundary conditions have been applied to the film's free surface and the cup wall and to match the flow characteristics at the liquid-slurry interface. The changing slurry viscosity, increasing nonlinearly with growing solid loading, was also considered. A parameter study illustrates the potential for a cup design to provide optimal slurry and liquid film thicknesses for effective atomization.

  10. Understanding atomic disorder in polar and magnetic oxides

    Science.gov (United States)

    Shoemaker, Daniel P.

    The functional properties of materials rely upon the composition, coordination, and connectivity of their constituent atoms. Understanding the atomic structure of condensed materials permits an understanding of how that structure influences macroscopic properties. The field of crystallography seeks to define the repeating lattice of periodic materials using a unit cell model with the minimum number of specified atomic positions. For magnetic and electronic materials, the arrangement of atoms and dipoles are often both ordered over long ranges and amenable to a traditional crystallographic description. However, interesting phenomena emerge when materials experience disorder due to chemical substitution, phase competition, nanostructuring, interfaces, or valence disproportionation. In those cases, the long-range symmetry of the material is interrupted and traditional crystallographic methods struggle to incorporate disorder into the unit cell model. I will discuss how disorder can be identified and quantified in functional materials. Each study includes examination of the real-space pair distribution function (PDF), which provides a weighted histogram of all atom-atom distances in a sample. Models are created by simultaneous fits to the Bragg profile and the PDF, thereby constraining the atomic positions by reciprocal- and real-space scattering descriptions. The reverse Monte Carlo method drives stochastic fits to scattering data using tens of thousands of atoms. Once simulation is complete, crystallographic metrics can be extracted from the supercell in real space. This approach is discussed in the case of site mixing and valence disproportionation in the Jahn-Teller active spinel CuMn2O4, local Jahn-Teller distortions of CuO4 tetrahedra in the solid solution Mg 1-xCuxCr 2O4, nanoscale phase co-existence at the metal-insulator transition in VO2, and static displacements and lone-pair activity in the pyrochlores Bi2Ti2O6O' and Bi 2Ru2O6O'.

  11. Investigation of potential fluctuating intra-unit cell magnetic order in cuprates by μ SR

    Science.gov (United States)

    Pal, A.; Akintola, K.; Potma, M.; Ishikado, M.; Eisaki, H.; Hardy, W. N.; Bonn, D. A.; Liang, R.; Sonier, J. E.

    2016-10-01

    We report low temperature muon spin relaxation (μ SR ) measurements of the high-transition-temperature (Tc) cuprate superconductors Bi2 +xSr2 -xCaCu2O8 +δ and YBa2Cu3O6.57 , aimed at detecting the mysterious intra-unit cell (IUC) magnetic order that has been observed by spin-polarized neutron scattering in the pseudogap phase of four different cuprate families. A lack of confirmation by local magnetic probe methods has raised the possibility that the magnetic order fluctuates slowly enough to appear static on the time scale of neutron scattering, but too fast to affect μ SR or nuclear magnetic resonance signals. The IUC magnetic order has been linked to a theoretical model for the cuprates, which predicts a long-range ordered phase of electron-current loop order that terminates at a quantum crictical point (QCP). Our study suggests that lowering the temperature to T ˜25 mK and moving far below the purported QCP does not cause enough of a slowing down of fluctuations for the IUC magnetic order to become detectable on the time scale of μ SR . Our measurements place narrow limits on the fluctuation rate of this unidentified magnetic order.

  12. High-temperature superconductivity in one-unit-cell FeSe films

    Science.gov (United States)

    Wang, Ziqiao; Liu, Chaofei; Liu, Yi; Wang, Jian

    2017-04-01

    Since the dramatic enhancement of the superconducting transition temperature (T c) was reported in a one-unit-cell FeSe film grown on a SrTiO3 substrate (1-UC FeSe/STO) by molecular beam epitaxy (MBE), related research on this system has become a new frontier in condensed matter physics. In this paper, we present a brief review on this rapidly developing field, mainly focusing on the superconducting properties of 1-UC FeSe/STO. Experimental evidence for high-temperature superconductivity in 1-UC FeSe/STO, including direct evidence revealed by transport and diamagnetic measurements, as well as other evidence from scanning tunneling microscopy (STM) and angle-resolved photoemission spectroscopy (ARPES), are overviewed. The potential mechanisms of the enhanced superconductivity are also discussed. There are accumulating arguments to suggest that the strengthened Cooper pairing in 1-UC FeSe/STO originates from the interface effects, specifically the charge transfer and coupling to phonon modes in the TiO2 plane. The study of superconductivity in 1-UC FeSe/STO not only sheds new light on the mechanism of high-temperature superconductors with layered structures, but also provides an insight into the exploration of new superconductors by interface engineering.

  13. Inulin isoforms differ by repeated additions of one crystal unit cell.

    Science.gov (United States)

    Cooper, Peter D; Barclay, Thomas G; Ginic-Markovic, Milena; Gerson, Andrea R; Petrovsky, Nikolai

    2014-03-15

    Inulin isoforms, especially delta inulin, are important biologically as immune activators and clinically as vaccine adjuvants. In exploring action mechanisms, we previously found regular increments in thermal properties of the seven-member inulin isoform series that suggested regular additions of some energetic structural unit. Because the previous isolates carried additional longer chains that masked defining ranges, these were contrasted with new isoform isolates comprising only inulin chain lengths defining that isoform. The new series began with 19 fructose units per chain (alpha-1 inulin), increasing regularly by 6 fructose units per isoform. Thus the 'energetic unit' equates to 6 fructose residues per chain. All isoforms showed indistinguishable X-ray diffraction patterns that were also identical with known inulin crystals. We conclude that an 'energetic unit' equates to one helix turn of 6 fructose units per chain as found in one unit cell of the inulin crystal. Each isoform chain comprised progressively more helix turns plus one additional fructose and glucose residues per chain.

  14. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

    2005-01-01

    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  15. Entanglement properties between two atoms in the binomial optical field interacting with two entangled atoms

    Institute of Scientific and Technical Information of China (English)

    刘堂昆; 张康隆; 陶宇; 单传家; 刘继兵

    2016-01-01

    The temporal evolution of the degree of entanglement between two atoms in a system of the binomial optical field interacting with two arbitrary entangled atoms is investigated. The influence of the strength of the dipole–dipole interaction between two atoms, probabilities of the Bernoulli trial, and particle number of the binomial optical field on the temporal evolution of the atomic entanglement are discussed. The result shows that the two atoms are always in the entanglement state. Moreover, if and only if the two atoms are initially in the maximally entangled state, the entanglement evolution is not affected by the parameters, and the degree of entanglement is always kept as 1.

  16. Surface symmetry of monolayer titanium oxide on Mo(1 1 2) studied via fast atom diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Seifert, J., E-mail: jan.seifert@physik.hu-berlin.de; Winter, H.

    2013-11-15

    In studies on titanium oxide thin films we demonstrate the potential of Fast Atom Diffraction (FAD) and triangulation methods to derive the surface unit cell with enhanced surface sensitivity. Helium atoms with energies of 1–2 keV are scattered from the surface along low indexed surface directions under grazing angles of incidence. From the observed diffraction patterns, the lateral periodicity of the surface structures is derived. For low TiO{sub x} coverages a well-ordered c(2 × 4) superstructure and for higher coverage a p(8 × 2) film is observed. Based on FAD and triangulation methods for azimuthal rotation of the target the arrangement of topmost atoms in smaller sub-unit cells is revealed.

  17. 农用超声雾化换能器参数优化设计与试验%Parameter optimization design and experiment of agricultural ultrasonic atomization transducer

    Institute of Scientific and Technical Information of China (English)

    张建桃; 李晟华; 文晟; 兰玉彬; 廖贻泳; 张铁民

    2015-01-01

    为解决超声雾化换能器用于超低量喷雾时雾化量少、换能器结构复杂等问题,根据超声雾化换能器的工作原理和农药喷施对换能器提出的雾化要求,设计了一种农用超声雾化换能器。首先利用 ANSYS 参数化设计语言建立换能器超声振子的参数化模型;然后对其进行尺寸参数优化,在设定的雾滴体积中径3~5μm范围内,使雾化量达到最大;最后根据优化结果制作样机,进行相关试验测试。试验结果表明,当施加峰-峰值为100 V的交流正弦电压时,超声雾化换能器最大雾化量从1.20提高到1.29 g/min,相比优化前提高了7.5%,93%的雾滴颗粒直径分布在设定的3~5μm范围内,并且实测的换能器谐振频率与仿真结果的误差为5.9%。研究结果为农用超声雾化换能器结构优化设计和雾化量的提高提供参考。%In order to solve the problems when ultrasonic atomization transducer was used for ultra-low-volume spraying pesticides, i.e. the atomization flow was little and the transducer’s structure was complex, this paper presented a new structure of agricultural ultrasonic atomization transducer based on the atomization requirements proposed by the working principle of ultrasonic atomization transducer and agricultural pesticide spraying. The transducer mainly consisted of a venturi tube, a cylindrical square-cavity, an ultrasonic vibrator, a rubber washer and a flange cover. When the high-frequency alternating current (AC) voltage was applied on the ultrasonic vibrator, liquid was atomized. In the meantime, the circumscribed air pump formed the air vortex in the square-cavity, which would drive the droplet to rotate and move upward, prevent the spread of droplet and avoid attaching on the inner wall of the vessel. Firstly, the parametric model of the ultrasonic vibrator was established and then optimized with ANSYS parametric design language (APDL) to control the droplet

  18. Atomic layer confined vacancies for atomic-level insights into carbon dioxide electroreduction

    Science.gov (United States)

    Gao, Shan; Sun, Zhongti; Liu, Wei; Jiao, Xingchen; Zu, Xiaolong; Hu, Qitao; Sun, Yongfu; Yao, Tao; Zhang, Wenhua; Wei, Shiqiang; Xie, Yi

    2017-01-01

    The role of oxygen vacancies in carbon dioxide electroreduction remains somewhat unclear. Here we construct a model of oxygen vacancies confined in atomic layer, taking the synthetic oxygen-deficient cobalt oxide single-unit-cell layers as an example. Density functional theory calculations demonstrate the main defect is the oxygen(II) vacancy, while X-ray absorption fine structure spectroscopy reveals their distinct oxygen vacancy concentrations. Proton transfer is theoretically/experimentally demonstrated to be a rate-limiting step, while energy calculations unveil that the presence of oxygen(II) vacancies lower the rate-limiting activation barrier from 0.51 to 0.40 eV via stabilizing the formate anion radical intermediate, confirmed by the lowered onset potential from 0.81 to 0.78 V and decreased Tafel slope from 48 to 37 mV dec−1. Hence, vacancy-rich cobalt oxide single-unit-cell layers exhibit current densities of 2.7 mA cm−2 with ca. 85% formate selectivity during 40-h tests. This work establishes a clear atomic-level correlation between oxygen vacancies and carbon dioxide electroreduction. PMID:28220847

  19. Atomic layer confined vacancies for atomic-level insights into carbon dioxide electroreduction

    Science.gov (United States)

    Gao, Shan; Sun, Zhongti; Liu, Wei; Jiao, Xingchen; Zu, Xiaolong; Hu, Qitao; Sun, Yongfu; Yao, Tao; Zhang, Wenhua; Wei, Shiqiang; Xie, Yi

    2017-02-01

    The role of oxygen vacancies in carbon dioxide electroreduction remains somewhat unclear. Here we construct a model of oxygen vacancies confined in atomic layer, taking the synthetic oxygen-deficient cobalt oxide single-unit-cell layers as an example. Density functional theory calculations demonstrate the main defect is the oxygen(II) vacancy, while X-ray absorption fine structure spectroscopy reveals their distinct oxygen vacancy concentrations. Proton transfer is theoretically/experimentally demonstrated to be a rate-limiting step, while energy calculations unveil that the presence of oxygen(II) vacancies lower the rate-limiting activation barrier from 0.51 to 0.40 eV via stabilizing the formate anion radical intermediate, confirmed by the lowered onset potential from 0.81 to 0.78 V and decreased Tafel slope from 48 to 37 mV dec-1. Hence, vacancy-rich cobalt oxide single-unit-cell layers exhibit current densities of 2.7 mA cm-2 with ca. 85% formate selectivity during 40-h tests. This work establishes a clear atomic-level correlation between oxygen vacancies and carbon dioxide electroreduction.

  20. The Atomic and Nuclear Physics of Atomic EDMs

    Science.gov (United States)

    Chupp, Timothy

    2016-09-01

    Atomic Electric-Dipole-Moment (EDM) measurements employ low-energy atomic and precision-measurement techniques to measure the effects of elementary particle forces that affect the distribution of charge and mass in the nucleus, which is probed by the atomic electrons. Experiments and their interpretation strongly overlap atomic and nuclear physics in the experimental and theoretical problems presented. On the experimental side, the atomic EDM couples to electric fields while the magnetic dipole moment couples to magnetic fields requiring exquisite control and characerization of the magnetic fields. Measuring the tiny frequency shifts requires clock-comparisons and a large signal-to-noise ratio for frequency resolution much smaller than the linewidths, which are lmitied by observation times. To address the experimental challenges, I will discuss systematic effects related to magnetic fields and techniques of magnetometry and co-magntometery as well as optical pumping and related techniques that enhance signal-to-noise. I will also address the interpretation of atomic EDMs in terms of a set of low-energy parameters that relate to effective-field-theory coefficients, and I will empshaize the need for improved calculations from both atomic-theory and nuclear theory.

  1. Atomic magnetometer

    Science.gov (United States)

    Schwindt, Peter [Albuquerque, NM; Johnson, Cort N [Albuquerque, NM

    2012-07-03

    An atomic magnetometer is disclosed which uses a pump light beam at a D1 or D2 transition of an alkali metal vapor to magnetically polarize the vapor in a heated cell, and a probe light beam at a different D2 or D1 transition to sense the magnetic field via a polarization rotation of the probe light beam. The pump and probe light beams are both directed along substantially the same optical path through an optical waveplate and through the heated cell to an optical filter which blocks the pump light beam while transmitting the probe light beam to one or more photodetectors which generate electrical signals to sense the magnetic field. The optical waveplate functions as a quarter waveplate to circularly polarize the pump light beam, and as a half waveplate to maintain the probe light beam linearly polarized.

  2. High Atom Number in Microsized Atom Traps

    Science.gov (United States)

    2015-12-14

    Final Performance Report on ONR Grant N00014-12-1-0608 High atom number in microsized atom traps for the period 15 May 2012 through 14 September...TYPE Final Technical Report 3. DATES COVERED (From - To) 05/15/2012-09/14/2012 4. TITLE AND SUBTITLE High atom number in microsized atom traps...forces for implementing a small-footprint, large-number atom -chip instrument. Bichromatic forces rely on absorption and stimulated emission to produce

  3. Detecting Neutral Atoms on an Atom Chip

    OpenAIRE

    Wilzbach, M.; Haase, A.; Schwarz, M; Heine, D.; Wicker, K.; Liu, X; Brenner, K. -H.; Groth, S.; Fernholz, Th.; Hessmo, B.; Schmiedmayer, J.

    2006-01-01

    Detecting single atoms (qubits) is a key requirement for implementing quantum information processing on an atom chip. The detector should ideally be integrated on the chip. Here we present and compare different methods capable of detecting neutral atoms on an atom chip. After a short introduction to fluorescence and absorption detection we discuss cavity enhanced detection of single atoms. In particular we concentrate on optical fiber based detectors such as fiber cavities and tapered fiber d...

  4. Tunable Cavity Optomechanics with Ultracold Atoms

    CERN Document Server

    Purdy, T P; Botter, T; Brahms, N; Ma, Z -Y; Stamper-Kurn, D M

    2010-01-01

    We present an atom-chip-based realization of quantum cavity optomechanics with cold atoms localized within a Fabry-Perot cavity. Effective sub-wavelength positioning of the atomic ensemble allows for tuning the linear and quadratic optomechanical coupling parameters, varying the sensitivity to the displacement and strain of a compressible gaseous cantilever. We observe effects of such tuning on cavity optical nonlinearity and optomechanical frequency shifts, providing their first characterization in the quadratic-coupling regime.

  5. Local atomic and magnetic structure of dilute magnetic semiconductor (Ba,K)(Zn,Mn)$_2$As$_2$

    OpenAIRE

    Frandsen, Benjamin A.; Gong, Zizhou; Terban, Maxwell W.; Banerjee, Soham; Chen, Bijuan; Jin, Changqing; Feygenson, Mikhail; Uemura, Yasutomo J.; Billinge, Simon J. L.

    2016-01-01

    We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba,K)(Zn,Mn)$_2$As$_2$ through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total scattering data. We detected a change in curvature of the temperature-dependent unit cell volume of the average tetragonal crystallographic structure at a temperature coinciding with the onset of ferromagnetic order. We also observed the existence of a well-def...

  6. Atomic Mass and Nuclear Binding Energy for F-35 (Fluorine)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume A `Nuclei with Z = 1 - 54' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope F-35 (Fluorine, atomic number Z = 9, mass number A = 35).

  7. Quantum Motion of Atoms in a Magnetic Waveguide

    Institute of Scientific and Technical Information of China (English)

    刘夏姬; 李代军; 王德重; 黄湖; 李师群; 王育竹

    2001-01-01

    Based on the magnetic atomic guidance model proposed in our previous paper [Opt. Commun. 160(1999)72],the quantum motion of atoms in a magnetic tube is discussed in detail. The non-adiabatic loss of atoms as resultof spin-flip transition and the adiabatic condition for keeping atoms in the guidable state are also analysed. Theresult shows that the atoms can be guided in the magnetic waveguide with a higher guiding efficiency by choosingsuitable parameters of the magnetic tube.

  8. Tunable Multifunctional Thermal Metamaterials: Manipulation of Local Heat Flux via Assembly of Unit-Cell Thermal Shifters.

    Science.gov (United States)

    Park, Gwanwoo; Kang, Sunggu; Lee, Howon; Choi, Wonjoon

    2017-01-20

    Thermal metamaterials, designed by transformation thermodynamics are artificial structures that can actively control heat flux at a continuum scale. However, fabrication of them is very challenging because it requires a continuous change of thermal properties in materials, for one specific function. Herein, we introduce tunable thermal metamaterials that use the assembly of unit-cell thermal shifters for a remarkable enhancement in multifunctionality as well as manufacturability. Similar to the digitization of a two-dimensional image, designed thermal metamaterials by transformation thermodynamics are disassembled as unit-cells thermal shifters in tiny areas, representing discretized heat flux lines in local spots. The programmed-reassembly of thermal shifters inspired by LEGO enable the four significant functions of thermal metamaterials-shield, concentrator, diffuser, and rotator-in both simulation and experimental verification using finite element method and fabricated structures made from copper and PDMS. This work paves the way for overcoming the structural and functional limitations of thermal metamaterials.

  9. Tunable Multifunctional Thermal Metamaterials: Manipulation of Local Heat Flux via Assembly of Unit-Cell Thermal Shifters

    Science.gov (United States)

    Park, Gwanwoo; Kang, Sunggu; Lee, Howon; Choi, Wonjoon

    2017-01-01

    Thermal metamaterials, designed by transformation thermodynamics are artificial structures that can actively control heat flux at a continuum scale. However, fabrication of them is very challenging because it requires a continuous change of thermal properties in materials, for one specific function. Herein, we introduce tunable thermal metamaterials that use the assembly of unit-cell thermal shifters for a remarkable enhancement in multifunctionality as well as manufacturability. Similar to the digitization of a two-dimensional image, designed thermal metamaterials by transformation thermodynamics are disassembled as unit-cells thermal shifters in tiny areas, representing discretized heat flux lines in local spots. The programmed-reassembly of thermal shifters inspired by LEGO enable the four significant functions of thermal metamaterials—shield, concentrator, diffuser, and rotator—in both simulation and experimental verification using finite element method and fabricated structures made from copper and PDMS. This work paves the way for overcoming the structural and functional limitations of thermal metamaterials. PMID:28106156

  10. Compact Circularly Polarized Patch Antenna Using a Composite Right/Left-Handed Transmission Line Unit-Cell

    Directory of Open Access Journals (Sweden)

    L. Geng

    2013-04-01

    Full Text Available A compact circularly polarized (CP patch antenna using a composite right/left-handed (CRLH transmission line (TL unit-cell is proposed. The CRLH TL unit-cell includes a complementary split ring resonator (CSRR for shunt inductance and a gap loaded with a circular-shaped slot for series capacitance. The CSRR can decrease the TM10 mode resonance frequency, thus reducing the electrical size of the proposed antenna. In addition, the asymmetry of the CSRR brings about the TM01 mode, which can be combined with the TM10 mode by changing the slot radius. The combination of these two orthogonal modes with 90° phase shift makes the proposed antenna provide a CP property. The experimental results show that the proposed antenna has a wider axial ratio bandwidth and a smaller electrical size than the reported CP antennas. Moreover, the proposed antenna is designed without impedance transformer, 90° phase shift, dual feed and ground via.

  11. A Miniaturized Antenna with Negative Index Metamaterial Based on Modified SRR and CLS Unit Cell for UWB Microwave Imaging Applications

    Directory of Open Access Journals (Sweden)

    Md. Moinul Islam

    2015-01-01

    Full Text Available A miniaturized antenna employing a negative index metamaterial with modified split-ring resonator (SRR and capacitance-loaded strip (CLS unit cells is presented for Ultra wideband (UWB microwave imaging applications. Four left-handed (LH metamaterial (MTM unit cells are located along one axis of the antenna as the radiating element. Each left-handed metamaterial unit cell combines a modified split-ring resonator (SRR with a capacitance-loaded strip (CLS to obtain a design architecture that simultaneously exhibits both negative permittivity and negative permeability, which ensures a stable negative refractive index to improve the antenna performance for microwave imaging. The antenna structure, with dimension of 16 × 21 × 1.6 mm3, is printed on a low dielectric FR4 material with a slotted ground plane and a microstrip feed. The measured reflection coefficient demonstrates that this antenna attains 114.5% bandwidth covering the frequency band of 3.4–12.5 GHz for a voltage standing wave ratio of less than 2 with a maximum gain of 5.16 dBi at 10.15 GHz. There is a stable harmony between the simulated and measured results that indicate improved nearly omni-directional radiation characteristics within the operational frequency band. The stable surface current distribution, negative refractive index characteristic, considerable gain and radiation properties make this proposed negative index metamaterial antenna optimal for UWB microwave imaging applications.

  12. A Miniaturized Antenna with Negative Index Metamaterial Based on Modified SRR and CLS Unit Cell for UWB Microwave Imaging Applications.

    Science.gov (United States)

    Islam, Md Moinul; Islam, Mohammad Tariqul; Samsuzzaman, Md; Faruque, Mohammad Rashed Iqbal; Misran, Norbahiah; Mansor, Mohd Fais

    2015-01-23

    A miniaturized antenna employing a negative index metamaterial with modified split-ring resonator (SRR) and capacitance-loaded strip (CLS) unit cells is presented for Ultra wideband (UWB) microwave imaging applications. Four left-handed (LH) metamaterial (MTM) unit cells are located along one axis of the antenna as the radiating element. Each left-handed metamaterial unit cell combines a modified split-ring resonator (SRR) with a capacitance-loaded strip (CLS) to obtain a design architecture that simultaneously exhibits both negative permittivity and negative permeability, which ensures a stable negative refractive index to improve the antenna performance for microwave imaging. The antenna structure, with dimension of 16 × 21 × 1.6 mm³, is printed on a low dielectric FR4 material with a slotted ground plane and a microstrip feed. The measured reflection coefficient demonstrates that this antenna attains 114.5% bandwidth covering the frequency band of 3.4-12.5 GHz for a voltage standing wave ratio of less than 2 with a maximum gain of 5.16 dBi at 10.15 GHz. There is a stable harmony between the simulated and measured results that indicate improved nearly omni-directional radiation characteristics within the operational frequency band. The stable surface current distribution, negative refractive index characteristic, considerable gain and radiation properties make this proposed negative index metamaterial antenna optimal for UWB microwave imaging applications.

  13. A Miniaturized Antenna with Negative Index Metamaterial Based on Modified SRR and CLS Unit Cell for UWB Microwave Imaging Applications

    Science.gov (United States)

    Islam, Md. Moinul; Islam, Mohammad Tariqul; Samsuzzaman, Md.; Faruque, Mohammad Rashed Iqbal; Misran, Norbahiah; Mansor, Mohd Fais

    2015-01-01

    A miniaturized antenna employing a negative index metamaterial with modified split-ring resonator (SRR) and capacitance-loaded strip (CLS) unit cells is presented for Ultra wideband (UWB) microwave imaging applications. Four left-handed (LH) metamaterial (MTM) unit cells are located along one axis of the antenna as the radiating element. Each left-handed metamaterial unit cell combines a modified split-ring resonator (SRR) with a capacitance-loaded strip (CLS) to obtain a design architecture that simultaneously exhibits both negative permittivity and negative permeability, which ensures a stable negative refractive index to improve the antenna performance for microwave imaging. The antenna structure, with dimension of 16 × 21 × 1.6 mm3, is printed on a low dielectric FR4 material with a slotted ground plane and a microstrip feed. The measured reflection coefficient demonstrates that this antenna attains 114.5% bandwidth covering the frequency band of 3.4–12.5 GHz for a voltage standing wave ratio of less than 2 with a maximum gain of 5.16 dBi at 10.15 GHz. There is a stable harmony between the simulated and measured results that indicate improved nearly omni-directional radiation characteristics within the operational frequency band. The stable surface current distribution, negative refractive index characteristic, considerable gain and radiation properties make this proposed negative index metamaterial antenna optimal for UWB microwave imaging applications. PMID:28787945

  14. Intra-unit-cell magnetic correlations near optimal doping in YBa2Cu3O6.85.

    Science.gov (United States)

    Mangin-Thro, L; Sidis, Y; Wildes, A; Bourges, P

    2015-07-03

    The pseudo-gap phenomenon in copper oxide superconductors is central to any description of these materials as it prefigures the superconducting state itself. A magnetic intra-unit-cell order was found to occur just at the pseudo-gap temperature in four cuprate high-Tc superconducting families. Here we present polarized neutron-scattering measurements of nearly optimally doped YBa2Cu3O6.85, carried out on two different spectrometers, that reveal several features. The intra-unit-cell order consists of finite-sized planar domains that are very weakly correlated along the c axis. At high temperature, only the out-of-plane magnetic components correlate, indicating a strong Ising anisotropy. An aditional in-plane response develops at low temperature, giving rise to an apparent tilt of the magnetic moment. The discovery of these two regimes puts stringent constraints, which are tightly bound to the pseudo-gap physics, on the intrinsic nature of intra-unit-cell order.

  15. "Bohr's Atomic Model."

    Science.gov (United States)

    Willden, Jeff

    2001-01-01

    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  16. The atomic orbitals of the topological atom.

    Science.gov (United States)

    Ramos-Cordoba, Eloy; Salvador, Pedro; Mayer, István

    2013-06-07

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure.

  17. Local atomic and electronic structure of LaCoO3 /SrTiO3 thin films by HAADF STEM and EELS

    Science.gov (United States)

    Borisevich, Albina; Hyuck Jang, Jae; Kim, Young-Min; Qiao, Liang; Biegalski, Michael

    2013-03-01

    For perovskite films with several competing functionalities, magnetic and electronic properties can be affected both by structural order parameters and chemical factors. For example, in LaCoO3 (LCO) thin films, magnetic and transport properties are strongly dependent on strain state and oxygen content. For this study, LCO thin films were deposited by pulsed laser deposition method with different thicknesses (2, 5, 15 unit cell and 20 nm thickness) on SrTiO3 substrate. X-ray photoelectron spectroscopy studies of the grown films have demonstrated that Co 3p edges shift up to 2 eV for 15 u.c. and 20 nm films, indicating possible presence of 2D electron gas. The structure of the 5 u.c and 15 u.c LCO films was examined. Atomic position mapping from STEM HAADF and BF images can reveal lattice parameter and octahedral tilt behavior with atomic resolution. BF STEM imaging showed that octahedral tilts were active in the 15 u.c. film but not in the 5 u.c. film. A complex pattern of O K fine structure evolution at the interface was observed; results of the deconvolution of different contributions to this behavior using advanced simulations, as well as data on oxygen vacancy mapping, will be presented. Research supported by the US DOE-BES, Materials Sciences and Engineering Division, and through a user project supported by ORNL's ShaRE User Program.

  18. Dynamical Properties of Scaled Atomic Wehrl Entropy of Multiphoton JCM in the Presence of Atomic Damping

    Directory of Open Access Journals (Sweden)

    S. Abdel-Khalek

    2013-01-01

    Full Text Available We study the dynamics of the atomic inversion, scaled atomic Wehrl entropy, and marginal atomic Q-function for a single two-level atom interacting with a one-mode cavity field taking in the presence of atomic damping. We obtain the exact solution of the master equation in the interaction picture using specific initial conditions. We examine the effects of atomic damping parameter and number of multiphoton transition on the scaled atomic Wehrl entropy, atomic Q-function, and their marginal distribution. We observe an interesting monotonic relation between the different physical quantities in the case of different values of the number of photon transition during the time evolution.

  19. Three-dimensional atom localization via electromagnetically induced transparency in a three-level atomic system.

    Science.gov (United States)

    Wang, Zhiping; Cao, Dewei; Yu, Benli

    2016-05-01

    We present a new scheme for three-dimensional (3D) atom localization in a three-level atomic system via measuring the absorption of a weak probe field. Owing to the space-dependent atom-field interaction, the position probability distribution of the atom can be directly determined by measuring the probe absorption. It is found that, by properly varying the parameters of the system, the probability of finding the atom in 3D space can be almost 100%. Our scheme opens a promising way to achieve high-precision and high-efficiency 3D atom localization, which provides some potential applications in laser cooling or atom nano-lithography via atom localization.

  20. Sub-atom shot noise Faraday imaging of ultracold atom clouds

    CERN Document Server

    Kristensen, Mick A; Pedersen, Poul L; Klempt, Carsten; Sherson, Jacob F; Arlt, Jan J; Hilliard, Andrew J

    2016-01-01

    We demonstrate that a dispersive imaging technique based on the Faraday effect can measure the atom number in a large, ultracold atom cloud with a precision below the atom shot noise level. The minimally destructive character of the technique allows us to take multiple images of the same cloud, which enables sub-atom shot noise measurement precision of the atom number and allows for an in situ determination of the measurement precision. We have developed a noise model that quantitatively describes the noise contributions due to photon shot noise in the detected light and the noise associated with single atom loss. This model contains no free parameters and is calculated through an analysis of the fluctuations in the acquired images. For clouds containing $N \\sim 5 \\times 10^6$ atoms, we achieve a precision more than a factor of two below the atom shot noise level.

  1. Sub-atom shot noise Faraday imaging of ultracold atom clouds

    Science.gov (United States)

    Kristensen, M. A.; Gajdacz, M.; Pedersen, P. L.; Klempt, C.; Sherson, J. F.; Arlt, J. J.; Hilliard, A. J.

    2017-02-01

    We demonstrate that a dispersive imaging technique based on the Faraday effect can measure the atom number in a large, ultracold atom cloud with a precision below the atom shot noise level. The minimally destructive character of the technique allows us to take multiple images of the same cloud, which enables sub-atom shot noise measurement precision of the atom number and allows for an in situ determination of the measurement precision. We have developed a noise model that quantitatively describes the noise contributions due to photon shot noise in the detected light and the noise associated with single atom loss. This model contains no free parameters and is calculated through an analysis of the fluctuations in the acquired images. For clouds containing N∼ 5× {10}6 atoms, we achieve a precision more than a factor of two below the atom shot noise level.

  2. Production of Fine Metallic Powders by Hybrid Atomization Process

    Science.gov (United States)

    Minagawa, Kazumi; Liu, Yunzhong; Kakisawa, Hideki; Halada, Kohmei

    Hybrid Atomization is a recently developed powder-making process that combines effectively free-fall gas atomization and centrifugal atomization. This technique can produce very fine spherical powders with mean diameters of around 10 micrometers, and in high yields. The present report discusses the concept and basic principles of hybrid atomization. Process experiments were carried out and the optimal processing conditions were obtained. The results show that the influences of processing parameters and optimum conditions differ greatly between the proposed and the conventional atomization processes. A new correlation of atomization equation applicable to hybrid atomization is proposed and discussed.

  3. Studying the effects of the configuration of doped Al atoms on the conductive properties of boron nitride nanotube using density functional theory

    Science.gov (United States)

    Tavangar, Zahra; Hamadanian, Masood; Basharnavaz, Hadi

    2017-02-01

    In this paper, we study the effects of the configuration of two Al atoms doped into the unit cell of (7, 0) BNNTs, on their structural and electronic properties in solid state using density functional theory methods. Also, all possible configurations for Al double doped (7, 0) BNNT were investigated. The results showed that with Al doping, band gap decreased. Furthermore, an impurity state appears near the Fermi level when two Al atoms replace two boron atoms of adjacent layers. Contour plots of charge density distribution showed a protuberance surrounding N and B atoms adjacent to the substitute Al atoms.

  4. Optomechanical parameter estimation

    CERN Document Server

    Ang, Shan Zheng; Bowen, Warwick P; Tsang, Mankei

    2013-01-01

    We propose a statistical framework for the problem of parameter estimation from a noisy optomechanical system. The Cram\\'er-Rao lower bound on the estimation errors in the long-time limit is derived and compared with the errors of radiometer and expectation-maximization (EM) algorithms in the estimation of the force noise power. When applied to experimental data, the EM estimator is found to have the lowest error and follow the Cram\\'er-Rao bound most closely. With its ability to estimate most of the system parameters, the EM algorithm is envisioned to be useful for optomechanical sensing, atomic magnetometry, and classical or quantum system identification applications in general.

  5. Atomic coherence control on the entanglement of two atoms in two-photon processes

    Institute of Scientific and Technical Information of China (English)

    Hu Yao-Hua; Fang Mao-Fa; Wu Qin

    2007-01-01

    Considering two identical two-level atoms interacting with a single-mode thermal field through two-photon processes, this paper studies the atomic coherence control on the entanglement between two two-level atoms, and finds that the entanglement is greatly enhanced due to the initial atomic coherence. The results show that the entanglement can be manipulated by changing the initial parameters of the system, such as the superposition coefficients and the relative phases of the initial atomic coherent state and the mean photon number of the cavity field.

  6. Trapped Atoms in One-Dimensional Photonic Crystals

    Science.gov (United States)

    Kimble, H.

    2013-05-01

    I describe one-dimensional photonic crystals that support a guided mode suitable for atom trapping within a unit cell, as well as a second probe mode with strong atom-photon interactions. A new hybrid trap is analyzed that combines optical and Casimir-Polder forces to form stable traps for neutral atoms in dielectric nanostructures. By suitable design of the band structure, the atomic spontaneous emission rate into the probe mode can exceed the rate into all other modes by more than tenfold. The unprecedented single-atom reflectivity r0 ~= 0 . 9 for the guided probe field could create new scientific opportunities, including quantum many-body physics for 1 D atom chains with photon-mediated interactions and high-precision studies of vacuum forces. Towards these goals, my colleagues and I are pursuing numerical simulation, device fabrication, and cold-atom experiments with nanoscopic structures. Funding is provided by by the IQIM, an NSF PFC with support of the Moore Foundation, by the AFOSR QuMPASS MURI, by the DoD NSSEFF program (HJK), and by NSF Grant PHY0652914 (HJK). DEC acknowledges funding from Fundacio Privada Cellex Barcelona.

  7. Influence of atomic motion on the population and dipole squeezing of a cascade three-level atom in cavity field

    Institute of Scientific and Technical Information of China (English)

    Zhu Ai-Dong; Zhang Shou

    2004-01-01

    The dynamical property of a cascade three-level atom is investigated in the condition of atomic motion. The influence of atomic motion on the population and dipole squeezing is discussed. The results show that atomic motion makes the amplitude of atomic population be steady and increasing the parameter ep which denotes the atomic motion and the structure of field mode can shorten the period of collapse-revivals. By choosing an appropriate paramenter ep, we can obtain a dipole squeezed atom of long standing.

  8. Investigations into ultrasound induced atomization.

    Science.gov (United States)

    Ramisetty, Kiran A; Pandit, Aniruddha B; Gogate, Parag R

    2013-01-01

    The present work deals with measurements of the droplet size distribution in an ultrasonic atomizer using photographic analysis with an objective of understanding the effect of different equipment parameters such as the operating frequency, power dissipation and the operating parameters such as the flow rate and liquid properties on the droplet size distribution. Mechanistic details about the atomization phenomena have also been established using photographic analysis based on the capture of the growth of the instability and sudden ejection of droplets with high velocity. Velocity of these droplets has been measured by capturing the motion of droplets as streaks. It has been observed that the droplet size decreases with an increase in the frequency of atomizer. Droplet size distribution was found to change from the narrow to wider range with an increase in the intensity of ultrasound. The drop size was found to decrease with an increase in the fluid viscosity. The current work has clearly highlighted the approach for the selection of operating parameters for achieving a desired droplet size distribution using ultrasonic atomization and has also established the controlling mechanisms for the formation of droplet. An empirical correlation for the prediction of the droplet size has been developed based on the liquid and equipment operating properties.

  9. CHARACTERIZATION OF SURFACE OF THE (010 FACE OF BORAX CRYSTALS USING EX SITU ATOMIC FORCE MICROSCOPY (AFM:

    Directory of Open Access Journals (Sweden)

    Suharso Suharso

    2010-06-01

    Full Text Available The surface topology of borax crystals grown at a relative supersaturation of 0.21 has been investigated using ex situ atomic force microscopy (AFM. It was found that the cleavage of borax crystals along the (010 face planes has features of the cleavage of layered compounds, exhibiting cleavage steps of low heights. The step heights of the cleavage of the (010 face of borax crystal are from one unit cell to three unit cells of this face.   Keywords: AFM, cleavage, borax.

  10. Comparing anisotropic displacement parameters in protein structures.

    Science.gov (United States)

    Merritt, E A

    1999-12-01

    The increasingly widespread use of synchrotron-radiation sources and cryo-preparation of samples in macromolecular crystallography has led to a dramatic increase in the number of macromolecular structures determined at atomic or near-atomic resolution. This permits expansion of the structural model to include anisotropic displacement parameters U(ij) for individual atoms. In order to explore the physical significance of these parameters in protein structures, it is useful to be able to compare quantitatively the electron-density distribution described by the refined U(ij) values associated with corresponding crystallographically independent atoms. This paper presents the derivation of an easily calculated correlation coefficient in real space between two atoms modeled with anisotropic displacement parameters. This measure is used to investigate the degree of similarity between chemically equivalent but crystallographically independent atoms in the set of protein structural models currently available from the Protein Data Bank.

  11. Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function.

    Science.gov (United States)

    Prill, Dragica; Juhás, Pavol; Billinge, Simon J L; Schmidt, Martin U

    2016-01-01

    A method towards the solution and refinement of organic crystal structures by fitting to the atomic pair distribution function (PDF) is developed. Approximate lattice parameters and molecular geometry must be given as input. The molecule is generally treated as a rigid body. The positions and orientations of the molecules inside the unit cell are optimized starting from random values. The PDF is obtained from carefully measured X-ray powder diffraction data. The method resembles `real-space' methods for structure solution from powder data, but works with PDF data instead of the diffraction pattern itself. As such it may be used in situations where the organic compounds are not long-range-ordered, are poorly crystalline, or nanocrystalline. The procedure was applied to solve and refine the crystal structures of quinacridone (β phase), naphthalene and allopurinol. In the case of allopurinol it was even possible to successfully solve and refine the structure in P1 with four independent molecules. As an example of a flexible molecule, the crystal structure of paracetamol was refined using restraints for bond lengths, bond angles and selected torsion angles. In all cases, the resulting structures are in excellent agreement with structures from single-crystal data.

  12. Quantum noise property in coherent atomic system

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jun-xiang; WANG Hai-hong; CAI Jin; GAO Jiang-rui

    2006-01-01

    The coherent superposition of atomic states leads to the characteristic change of interacting lights because of the coupling between the lights and atoms.In this paper,the noise spectrum of the quantified light interacting with the atoms is studied under the condition of electromagnetically induced transparency (EIT).It is shown that the noise spectrum displays a double M-shape noise profile resulted from the conversion of phase noise of probe beam.A squeezing of 0.3 dB can be observed at the detuning of probe light at the proper parameters of atoms and coupling beam.

  13. Tool for Generation of MAC/GMC Representative Unit Cell for CMC/PMC Analysis

    Science.gov (United States)

    Murthy, Pappu L. N.; Pineda, Evan J.

    2016-01-01

    This document describes a recently developed analysis tool that enhances the resident capabilities of the Micromechanics Analysis Code with the Generalized Method of Cells (MAC/GMC) 4.0. This tool is especially useful in analyzing ceramic matrix composites (CMCs), where higher fidelity with improved accuracy of local response is needed. The tool, however, can be used for analyzing polymer matrix composites (PMCs) as well. MAC/GMC 4.0 is a composite material and laminate analysis software developed at NASA Glenn Research Center. The software package has been built around the concept of the generalized method of cells (GMC). The computer code is developed with a user friendly framework, along with a library of local inelastic, damage, and failure models. Further, application of simulated thermomechanical loading, generation of output results, and selection of architectures to represent the composite material have been automated to increase the user friendliness, as well as to make it more robust in terms of input preparation and code execution. Finally, classical lamination theory has been implemented within the software, wherein GMC is used to model the composite material response of each ply. Thus, the full range of GMC composite material capabilities is available for analysis of arbitrary laminate configurations as well. The primary focus of the current effort is to provide a graphical user interface (GUI) capability that generates a number of different user-defined repeating unit cells (RUCs). In addition, the code has provisions for generation of a MAC/GMC-compatible input text file that can be merged with any MAC/GMC input file tailored to analyze composite materials. Although the primary intention was to address the three different constituents and phases that are usually present in CMCs-namely, fibers, matrix, and interphase-it can be easily modified to address two-phase polymer matrix composite (PMC) materials where an interphase is absent. Currently, the

  14. Cold Matter Assembled Atom-by-Atom

    CERN Document Server

    Endres, Manuel; Keesling, Alexander; Levine, Harry; Anschuetz, Eric R; Krajenbrink, Alexandre; Senko, Crystal; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail D

    2016-01-01

    The realization of large-scale fully controllable quantum systems is an exciting frontier in modern physical science. We use atom-by-atom assembly to implement a novel platform for the deterministic preparation of regular arrays of individually controlled cold atoms. In our approach, a measurement and feedback procedure eliminates the entropy associated with probabilistic trap occupation and results in defect-free arrays of over 50 atoms in less than 400 ms. The technique is based on fast, real-time control of 100 optical tweezers, which we use to arrange atoms in desired geometric patterns and to maintain these configurations by replacing lost atoms with surplus atoms from a reservoir. This bottom-up approach enables controlled engineering of scalable many-body systems for quantum information processing, quantum simulations, and precision measurements.

  15. Semiempirical and DFT computations of the influence of Tb(III) dopant on unit cell dimensions of cerium(III) fluoride.

    Science.gov (United States)

    Shyichuk, Andrii; Runowski, Marcin; Lis, Stefan; Kaczkowski, Jakub; Jezierski, Andrzej

    2015-01-30

    Several computational methods, both semiempirical and ab initio, were used to study the influence of the amount of dopant on crystal cell dimensions of CeF3 doped with Tb(3+) ions (CeF3 :Tb(3+) ). AM1, RM1, PM3, PM6, and PM7 semiempirical parameterization models were used, while the Sparkle model was used to represent the lanthanide cations in all cases. Ab initio calculations were performed by means of GGA+U/PBE projector augmented wave density functional theory. The computational results agree well with the experimental data. According to both computation and experiment, the crystal cell parameters undergo a linear decrease with increasing amount of the dopant. The computations performed using Sparkle/PM3 and DFT methods resulted in the best agreement with the experiment with the average deviation of about 1% in both cases. Typical Sparkle/PM3 computation on a 2×2×2 supercell of CeF3:Tb3+ lasted about two orders of magnitude shorter than the DFT computation concerning a unit cell of this material. © 2014 Wiley Periodicals, Inc.

  16. Electrochemical characterization of a polybenzimidazole-based high temperature proton exchange membrane unit cell

    DEFF Research Database (Denmark)

    Jespersen, Jesper Lebæk; Schaltz, Erik; Kær, Søren Knudsen

    2009-01-01

    Equivalent Circuit (EC) modeling key parameters, such as the membrane resistance, charge transfer resistance and gas transfer resistance are identified, however the physical interpretation of the parameters derived from EC's are doubtful as discussed in this paper. The EC model proposed, which is a modified...... Randles circuit, provides a reasonably good fit at all the conditions tested. The measurements reveal that the cell temperature is an important parameter, which influences the cell performance significantly, especially the charge transfer resistance proved to be very temperature dependent. The transport...... of oxygen to the Oxygen Reduction Reaction (ORR) likewise has a substantial effect on the impedance spectra, results showed that the gas transfer resistance has an exponential-like dependency on the air stoichiometry. Based on the present results and results found in recent publications it is still...

  17. Parameter Estimation

    DEFF Research Database (Denmark)

    2011-01-01

    of optimisation techniques coupled with dynamic solution of the underlying model. Linear and nonlinear approaches to parameter estimation are investigated. There is also the application of maximum likelihood principles in the estimation of parameters, as well as the use of orthogonal collocation to generate a set......In this chapter the importance of parameter estimation in model development is illustrated through various applications related to reaction systems. In particular, rate constants in a reaction system are obtained through parameter estimation methods. These approaches often require the application...... of algebraic equations as the basis for parameter estimation.These approaches are illustrated using estimations of kinetic constants from reaction system models....

  18. Atomic Evolutions of a Single Atom in a High-Q Cavity

    Institute of Scientific and Technical Information of China (English)

    葛国勤

    2001-01-01

    Atomic evolutions in a single atom laser system are studied for different preparations of the initial atomic state and cavity field. Both the analytical and the numerical results are in very good agreement with the experiment carried out by Brune et al. [Phys. Rev. Lett. 76 (1996) 1800], if we choose the same parameters as the experiment. The research justified that the spontaneous emission rates are enhanced in the high-Q cavity.

  19. Trapped-Mode Resonance Regime of Thin Microwave Electromagnetic Arrays with Two Concentric Rings in Unit Cell

    Directory of Open Access Journals (Sweden)

    M. N. Kawakatsu

    2011-01-01

    Full Text Available We present a theoretical study of reflection and transmission characteristics of a microwave planar array on a thin dielectric substrate with unit cell made of two concentric rings. This array possesses high quality factor transmission resonance with polarization insensitivity for normally incident plane wave. This resonance is defined by the trapped-mode regime. We show that for oblique incidence, there are some differences in characteristics of the array and a small change in quality factor of the trapped-mode resonance.

  20. Spatial distribution of optically induced atomic excitation in a dense and cold atomic ensemble

    CERN Document Server

    Fofanov, Ya A; Sokolov, I M; Havey, M D

    2013-01-01

    On the basis of our general theoretical results developed previously in JETP 112, 246 (2011), we calculate the spatial distribution of atoms excited in a dense and cold atomic cloud by weak monochromatic light. We also study the atomic distribution over different Zeeman sublevels of the excited state in different parts of the cloud. The dependence of this distribution of atomic excitation on the density of the atomic ensemble and the frequency of external emission is investigated. We show that in the boundary regions of the cloud the orientation and alignment of atomic angular momentum takes place. Analysis of the spatial distribution of atomic excitation shows no noticeable signs of light localization effects even in those parameter regimes where the Ioffe-Regel criterium of strong localization is satisfied. However, comparative calculations performed in the framework of the scalar approximation to the dipole-dipole interaction reveals explicit manifestation of strong localization under some conditions.

  1. High-dimensional atom localization via spontaneously generated coherence in a microwave-driven atomic system.

    Science.gov (United States)

    Wang, Zhiping; Chen, Jinyu; Yu, Benli

    2017-02-20

    We investigate the two-dimensional (2D) and three-dimensional (3D) atom localization behaviors via spontaneously generated coherence in a microwave-driven four-level atomic system. Owing to the space-dependent atom-field interaction, it is found that the detecting probability and precision of 2D and 3D atom localization behaviors can be significantly improved via adjusting the system parameters, the phase, amplitude, and initial population distribution. Interestingly, the atom can be localized in volumes that are substantially smaller than a cubic optical wavelength. Our scheme opens a promising way to achieve high-precision and high-efficiency atom localization, which provides some potential applications in high-dimensional atom nanolithography.

  2. Neutral atom traps.

    Energy Technology Data Exchange (ETDEWEB)

    Pack, Michael Vern

    2008-12-01

    This report describes progress in designing a neutral atom trap capable of trapping sub millikelvin atom in a magnetic trap and shuttling the atoms across the atom chip from a collection area to an optical cavity. The numerical simulation and atom chip design are discussed. Also, discussed are preliminary calculations of quantum noise sources in Kerr nonlinear optics measurements based on electromagnetically induced transparency. These types of measurements may be important for quantum nondemolition measurements at the few photon limit.

  3. Efficient transfer of francium atoms

    Science.gov (United States)

    Aubin, Seth; Behr, John; Gorelov, Alexander; Pearson, Matt; Tandecki, Michael; Collister, Robert; Gwinner, Gerald; Shiells, Kyle; Gomez, Eduardo; Orozco, Luis; Zhang, Jiehang; Zhao, Yanting; FrPNC Collaboration

    2016-05-01

    We report on the progress of the FrPNC collaboration towards Parity Non Conservation Measurements (PNC) using francium atoms at the TRIUMF accelerator. We demonstrate efficient transfer (higher than 40%) to the science vacuum chamber where the PNC measurements will be performed. The transfer uses a downward resonant push beam from the high-efficiency capture magneto optical trap (MOT) towards the science chamber where the atoms are recaptured in a second MOT. The transfer is very robust with respect to variations in the parameters (laser power, detuning, alignment, etc.). We accumulate a growing number of atoms at each transfer pulse (limited by the lifetime of the MOT) since the push beam does not eliminate the atoms already trapped in the science MOT. The number of atoms in the science MOT is on track to meet the requirements for competitive PNC measurements when high francium rates (previously demonstrated) are delivered to our apparatus. The catcher/neutralizer for the ion beam has been tested reliably to 100,000 heating/motion cycles. We present initial tests on the direct microwave excitation of the ground hyperfine transition at 45 GHz. Support from NSERC and NRC from Canada, NSF and Fulbright from USA, and CONACYT from Mexico.

  4. Atom Lithography with a Chromium Atomic Beam

    Institute of Scientific and Technical Information of China (English)

    ZHANG Wen-Tao; LI Tong-Bao

    2006-01-01

    @@ Direct write atom lithography is a new technique in which resonant light is used to pattern an atomic beam and the nanostructures are formed when the atoms deposit on the substrate. We design an experiment setup to fabricate chromium nanolines by depositing an atomic beam of 52 Cr through an off-resonant laser standing wave with the wavelength of 425.55 nm onto a silicon substrate. The resulting nanolines exhibit a period of 215 ± 3 nm with height of 1 nm.

  5. Experimental verification of orbital engineering at the atomic scale: Charge transfer and symmetry breaking in nickelate heterostructures

    Science.gov (United States)

    Phillips, Patrick J.; Rui, Xue; Georgescu, Alexandru B.; Disa, Ankit S.; Longo, Paolo; Okunishi, Eiji; Walker, Fred; Ahn, Charles H.; Ismail-Beigi, Sohrab; Klie, Robert F.

    2017-05-01

    Epitaxial strain, layer confinement, and inversion symmetry breaking have emerged as powerful new approaches to control the electronic and atomic-scale structural properties of complex metal oxides. Trivalent rare-earth (RE) nickelate R E NiO3 heterostructures have been shown to be exemplars since the orbital occupancy, degeneracy, and, consequently, electronic/magnetic properties can be altered as a function of epitaxial strain, layer thickness, and superlattice structure. One recent example is the tricomponent LaTiO3-LaNiO3-LaAlO3 superlattice which exhibits charge transfer and orbital polarization as the result of its interfacial dipole electric field. A crucial step towards control of these parameters for future electronic and magnetic device applications is to develop an understanding of both the magnitude and range of the octahedral network's response towards interfacial strain and electric fields. An approach that provides atomic-scale resolution and sensitivity towards the local octahedral distortions and orbital occupancy is therefore required. Here, we employ atomic-resolution imaging coupled with electron spectroscopies and first-principles theory to examine the role of interfacial charge transfer and symmetry breaking in a tricomponent nickelate superlattice system. We find that nearly complete charge transfer occurs between the LaTiO3 and LaNiO3 layers, resulting in a mixed Ni2 +/Ni3 + valence state. We further demonstrate that this charge transfer is highly localized with a range of about 1 unit cell within the LaNiO3 layers. We also show how Wannier-function-based electron counting provides a simple physical picture of the electron distribution that connects directly with formal valence charges. The results presented here provide important feedback to synthesis efforts aimed at stabilizing new electronic phases that are not accessible by conventional bulk or epitaxial film approaches.

  6. Stochastic models for atomic clocks

    Science.gov (United States)

    Barnes, J. A.; Jones, R. H.; Tryon, P. V.; Allan, D. W.

    1983-01-01

    For the atomic clocks used in the National Bureau of Standards Time Scales, an adequate model is the superposition of white FM, random walk FM, and linear frequency drift for times longer than about one minute. The model was tested on several clocks using maximum likelihood techniques for parameter estimation and the residuals were acceptably random. Conventional diagnostics indicate that additional model elements contribute no significant improvement to the model even at the expense of the added model complexity.

  7. Atomic Batteries: Energy from Radioactivity

    OpenAIRE

    Kumar, Suhas

    2015-01-01

    With alternate, sustainable, natural sources of energy being sought after, there is new interest in energy from radioactivity, including natural and waste radioactive materials. A study of various atomic batteries is presented with perspectives of development and comparisons of performance parameters and cost. We discuss radioisotope thermal generators, indirect conversion batteries, direct conversion batteries, and direct charge batteries. We qualitatively describe their principles of operat...

  8. Spin-sensitive atom mirror via spin-orbit interaction

    Science.gov (United States)

    Zhou, Lu; Zheng, Ren-Fei; Zhang, Weiping

    2016-11-01

    Based on the spin-orbit coupling recently implemented in a neutral cold-atom gas, we propose a scheme to realize spin-dependent scattering of cold atoms. In particular we consider a matter wave packet of cold-atom gas impinging upon a step potential created by the optical light field, inside of which the atoms are subject to spin-orbit interaction. We show that the proposed system can act as a spin polarizer or spin-selective atom mirror for the incident atomic beam. The principle and the operating parameter regime of the system are carefully discussed.

  9. Articulatory Parameters.

    Science.gov (United States)

    Ladefoged, Peter

    1980-01-01

    Summarizes the 16 parameters hypothesized to be necessary and sufficient for linguistic phonetic specifications. Suggests seven parameters affecting tongue shapes, three determining the positions of the lips, one controlling the position of the velum, four varying laryngeal actions, and one controlling respiratory activity. (RL)

  10. Parameter Estimation

    DEFF Research Database (Denmark)

    Sales-Cruz, Mauricio; Heitzig, Martina; Cameron, Ian;

    2011-01-01

    of optimisation techniques coupled with dynamic solution of the underlying model. Linear and nonlinear approaches to parameter estimation are investigated. There is also the application of maximum likelihood principles in the estimation of parameters, as well as the use of orthogonal collocation to generate a set...

  11. Cooling of rubidium atoms in pulsed diffuse laser light

    Institute of Scientific and Technical Information of China (English)

    Cheng Hua-Dong; Wang Xu-Cheng; Xiao Ling; Zhang Wen-Zhuo; Liu Liang; Wang Yu-Zhu

    2011-01-01

    This paper reports an experiment on laser cooling of 87Rb atoms in pulsed diffuse light, which is the key step towards a compact cold atom clock. It deduces an empirical formula to simulate the pulse cooling process based on the loading of cold atoms in cooling time and the loss in the dead time, which is in agreement with the experimental data. The formula gives a reference to select the parameters for the cold atom clock.

  12. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J

    2011-01-01

    Work with individual atoms and molecules aims to demonstrate that miniaturized electronic, optical, magnetic, and mechanical devices can operate ultimately even at the level of a single atom or molecule. As such, atomic and molecular manipulation has played an emblematic role in the development of the field of nanoscience. New methods based on the use of the scanning tunnelling microscope (STM) have been developed to characterize and manipulate all the degrees of freedom of individual atoms and molecules with an unprecedented precision. In the meantime, new concepts have emerged to design molecules and substrates having specific optical, mechanical and electronic functions, thus opening the way to the fabrication of real nano-machines. Manipulation of individual atoms and molecules has also opened up completely new areas of research and knowledge, raising fundamental questions of "Optics at the atomic scale", "Mechanics at the atomic scale", Electronics at the atomic scale", "Quantum physics at the atomic sca...

  13. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    2000-01-01

    This fifth volume of the successful series Advances in Atomic Spectroscopy continues to discuss and investigate the area of atomic spectroscopy.It begins with a description of the use of various atomic spectroscopic methods and applications of speciation studies in atomic spectroscopy. The emphasis is on combining atomic spectroscopy with gas and liquid chromatography. In chapter two the authors describe new developments in tunable lasers and the impact they will have on atomic spectroscopy. The traditional methods of detection, such as photography and the photomultiplier, and how they are being replaced by new detectors is discussed in chapter three. The very active area of glow discharge atomic spectrometry is presented in chapter four where, after a brief introduction and historical review, the use of glow discharge lamps for atomic spectroscopy and mass spectrometry are discussed. Included in this discussion is geometry and radiofrequency power. The future of this source in atomic spectroscopy is also dis...

  14. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

    Jau, Yuan-Yu

    2017-09-01

    A nano - scale , microfabricated waveguide structure can in - principle be used to trap atoms in well - defined locations and enable strong photon - atom interactions . A neutral - atom platf orm based on this microfabrication technology will be pre - aligned , which is especially important for quantum - control applications. At present, there is still no reported demonstration of evanescent - field atom trapping using a microfabricated waveguide structure. We described the capabilities established by our team for future development of the waveguide atom - trapping technology at SNL and report our studies to overcome the technical challenges of loading cold atoms into the waveguide atom traps, efficient and broadband optical coupling to a waveguide, and the waveguide material for high - power optical transmission. From the atomic - physics and the waveguide modeling, w e have shown that a square nano - waveguide can be utilized t o achieve better atomic spin squeezing than using a nanofiber for first time.

  15. Elastic Scattering Properties of Ultracold Strontium Atoms

    Institute of Scientific and Technical Information of China (English)

    张计才; 朱遵略; 刘玉芳; 孙金锋

    2011-01-01

    We investigate the elastic scattering properties of strontium atoms at ultracold temperatures.The scattering parameters,such as s-wave scattering lengths,effective ranges and p-wave scattering lengths,are calculated for all stable isotope combinations of Sr atoms by the quantal method and semiclassical method,respectively.Good agreements are obtained.The scattering parameters are very sensitive to small changes of the reduced mass.Due to the repulsive interisotope and intraisotope s-wave scattering length and large elastic cross sections,84Sr-86Srmixture is a good candidate to realize Bose-Bose quantum degenerate atomic gases.%We investigate the elastic scattering properties of strontium atoms at ultracold temperatures. The scattering parameters, such as s-wave scattering lengths, effective ranges and p-wave scattering lengths, are calculated for all stable isotope combinations of Sr atoms by the quantal method and semiclassical method, respectively. Good agreements are obtained. The scattering parameters are very sensitive to small changes of the reduced mass. Due to the repulsive interisotope and intraisotope s-wave scattering length and large elastic cross sections, MSr-s(iSr mixture is a good candidate to realize Bose-Bose quantum degenerate atomic gases.

  16. Quantification of in situ temperature measurements on a PBI-based high temperature PEMFC unit cell

    DEFF Research Database (Denmark)

    Lebæk, Jesper; Ali, Syed Talat; Møller, Per

    2010-01-01

    The temperature is a very important operating parameter for all types of fuel cells. In the present work distributed in situ temperature measurements are presented on a polybenzimidazole based high temperature PEM fuel cell (HT-PEM). A total of 16 T-type thermocouples were embedded on both...... sensors showed minimal influence on cell performance, this difference seen in performance is believed to be caused by different bipolar plate materials. The measurement method is suitable for obtaining detailed data for validation of computational models, moreover the results indicate that the method can...

  17. Atomic Particle Detection, Understanding the Atom Series.

    Science.gov (United States)

    Hellman, Hal

    This booklet is one of the booklets in the "Understanding the Atom Series" published by the U. S. Atomic Energy Commission for high school science teachers and their students. The instruments used to detect both particles and electromagnetic radiation that emerge from the nucleus are described. The counters reviewed include ionization chambers,…

  18. Fabrication of tunable infrared metamaterials using atomic calligraphy

    Science.gov (United States)

    Reeves, Jeremy; Stark, Thomas; Barrett, Lawrence; Lally, Richard; Bishop, David

    Metamaterials with dynamically variable spectral response to incident radiation through the use of a deformable substrate have so far been limited to the IR and longer wavelength regimes. Such materials, with unit cells a few to tens of microns across, can readily be fabricated using existing lithography techniques. Extending these metamaterials to shorter wavelengths and into the visible spectrum requires a proportional shrinking of the unit cell to be patterned over a large area. The reduced structure size leads to a strong reduction in the throughput of the chosen fabrication technique. Here, we investigate the prospects for the use of atomic calligraphy to pattern arbitrary infrared metamaterials with high throughput. Atomic calligraphy provides a scalable technique for the manufacture of metamaterials with high precision while allowing for writing on a variety of substrates, including deformable materials. We consider the electromagnetic response of these tunable materials and possibilities to develop metamaterials with resonances in the visible spectrum. This work is funded by the DARPA A2P program.

  19. When fast atom diffraction turns 3D

    Energy Technology Data Exchange (ETDEWEB)

    Zugarramurdi, Asier; Borisov, Andrei G., E-mail: andrei.borissov@u-psud.fr

    2013-12-15

    Fast atom diffraction at surfaces (FAD) in grazing incidence geometry is characterized by the slow motion in the direction perpendicular to the surface and fast motion parallel to the surface plane along a low index direction. It is established experimentally that for the typical surfaces the FAD reveals the 2D diffraction patterns associated with exchange of the reciprocal lattice vector perpendicular to the direction of fast motion. The reciprocal lattice vector exchange along the direction of fast motion is negligible. The usual approximation made in the description of the experimental data is then to assume that the effective potential leading to the diffraction results from the averaging of the 3D surface potential along the atomic strings forming the axial channel. In this work we use full quantum wave packet propagation calculations to study theoretically the possibility to observe the 3D diffraction in FAD experiments. We show that for the surfaces with large unit cell, such as can be the case for reconstructed or vicinal surfaces, the 3D diffraction can be observed. The reciprocal lattice vector exchange along the direction of fast motion leads to several Laue circles in the diffraction pattern.

  20. Precision Control of Cold Rubidium Atoms

    Science.gov (United States)

    Nic Chormaic, Síle; Deasy, Kieran; Morrissey, Michael; Shortt, Brian; Yarovitskiy, Alexander

    2005-10-01

    Research interest in designing sources of cold atoms has significantly increased during the past 10 years with the development of suitable laser sources for magneto-optical trapping and the further mastering of evaporative cooling in order to achieve Bose-Einstein condensation. The magneto-optical trap is now viewed as a standard research facility worldwide and has opened up many exciting research directions in atomic physics. One area of interest is that of combining spherical microcavities with cold atomic sources in order to achieve efficient photon exchange between the cavity and atom for further understandings of cavity quantum electrodynamics. This could eventually lead to atom entanglement via photon exchange, which would have implications for quantum logic design. However, initial attempts to achieve such interactions have been hindered by inadequate control and manipulation of the cold atom source. Here, we present work on designing and building an ultra-stable source of magneto-optically cooled rubidium atoms with a temperature in the tens of μK range. We present a suitable experimental arrangement including details on the ultra-high vacuum chamber, the laser systems being used, and the source of rubidium vapor. We discuss some future directions for the research, including diffraction of atoms from gratings and micron-sized objects and parameter control of the atom cloud.

  1. Inventory parameters

    CERN Document Server

    Sharma, Sanjay

    2017-01-01

    This book provides a detailed overview of various parameters/factors involved in inventory analysis. It especially focuses on the assessment and modeling of basic inventory parameters, namely demand, procurement cost, cycle time, ordering cost, inventory carrying cost, inventory stock, stock out level, and stock out cost. In the context of economic lot size, it provides equations related to the optimum values. It also discusses why the optimum lot size and optimum total relevant cost are considered to be key decision variables, and uses numerous examples to explain each of these inventory parameters separately. Lastly, it provides detailed information on parameter estimation for different sectors/products. Written in a simple and lucid style, it offers a valuable resource for a broad readership, especially Master of Business Administration (MBA) students.

  2. Influence of process parameters on atomic layer deposition of ZrO{sub 2} thin films from CpZr(NMe{sub 2}){sub 3} and H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Aarik, Lauri, E-mail: lauri.aarik@ut.ee [University of Tartu, Institute of Physics, Ravila 14C, 50411 Tartu (Estonia); Alles, Harry; Aidla, Aleks; Kahro, Tauno [University of Tartu, Institute of Physics, Ravila 14C, 50411 Tartu (Estonia); Kukli, Kaupo [University of Tartu, Institute of Physics, Ravila 14C, 50411 Tartu (Estonia); University of Helsinki, Department of Chemistry, P.O. Box 55, FI-00014 Helsinki (Finland); Niinistö, Jaakko [University of Helsinki, Department of Chemistry, P.O. Box 55, FI-00014 Helsinki (Finland); Mändar, Hugo; Tamm, Aile; Rammula, Raul [University of Tartu, Institute of Physics, Ravila 14C, 50411 Tartu (Estonia); Sammelselg, Väino [University of Tartu, Institute of Physics, Ravila 14C, 50411 Tartu (Estonia); University of Tartu, Institute of Chemistry, Ravila 14A, 50411 Tartu (Estonia); Aarik, Jaan [University of Tartu, Institute of Physics, Ravila 14C, 50411 Tartu (Estonia)

    2014-08-28

    Atomic layer deposition of ZrO{sub 2} films from tris(dimethylamino)cyclopentadienylzirconium CpZr(NMe{sub 2}){sub 3} and H{sub 2}O, was investigated using real-time characterization of the growth process and post-growth measurements of the films. Self-limited nature of the deposition process was observed at substrate temperatures ranging from 120 to 350 °C. In this temperature range growth rate of 0.08–0.1 nm per cycle was obtained on silicon substrates. The films deposited on silicon substrates at 200 °C and higher temperatures contained tetragonal and monoclinic phases of ZrO{sub 2}. The phase composition of the films depended on the deposition temperature as well as on the film thickness. The concentration of carbon residues decreased with increasing deposition temperature and did not exceed 0.9 at.% in the films deposited at 250 °C and higher temperatures. The refractive indices and densities of films grown from CpZr(NMe{sub 2}){sub 3} and H{sub 2}O at 250–350 °C ranged from 2.15 to 2.20 (at a wavelength of 633 nm) and 5.6 to 6.0 g/cm{sup 3}, respectively, being close to the highest values obtained for films deposited from ZrCl{sub 4} and H{sub 2}O. The former process ensured, however, more uniform nucleation of ZrO{sub 2} on graphene than the latter process did. - Highlights: • Thin films were grown from CpZr(NMe{sub 2}){sub 3} and H{sub 2}O on Si substrates by ALD. • The growth of ZrO{sub 2} was obtained at temperatures 120–350 °C. • Growth rates up to 0.1 nm per cycle were observed. • Films with refractive indices up to 2.2 at 633 nm were obtained.

  3. Signals from dark atom formation in halos

    CERN Document Server

    Pearce, Lauren; Kusenko, Alexander

    2015-01-01

    We consider indirect detection signals of atomic dark matter, with a massive dark photon which mixes kinetically with hypercharge. In significant regions of parameter space, dark matter remains at least partially ionized today, and dark atom formation can occur efficiently in dense regions, such as the centers of galactic halos. The formation of dark atoms is accompanied by emission of a dark photon, which can subsequently decay into Standard Model particles. We discuss the expected signal strength and compare it to that of annihilating dark matter. As a case study, we explore the possibility that dark atom formation can account for the observed 511 keV line and outline the relevant parameter space.

  4. Implementing quantum electrodynamics with ultracold atomic systems

    CERN Document Server

    Kasper, V; Jendrzejewski, F; Oberthaler, M K; Berges, J

    2016-01-01

    We discuss the experimental engineering of model systems for the description of QED in one spatial dimension via a mixture of bosonic $^{23}$Na and fermionic $^6$Li atoms. The local gauge symmetry is realized in an optical superlattice, using heteronuclear boson-fermion spin-changing interactions which preserve the total spin in every local collision. We consider a large number of bosons residing in the coherent state of a Bose-Einstein condensate on each link between the fermion lattice sites, such that the behavior of lattice QED in the continuum limit can be recovered. The discussion about the range of possible experimental parameters builds, in particular, upon experiences with related setups of fermions interacting with coherent samples of bosonic atoms. We determine the atomic system's parameters required for the description of fundamental QED processes, such as Schwinger pair production and string breaking. This is achieved by benchmark calculations of the atomic system and of QED itself using function...

  5. 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....

  6. A Compact Microchip-Based Atomic Clock Based on Ultracold Trapped Rb Atoms

    CERN Document Server

    Farkas, Daniel M; Anderson, Dana Z

    2009-01-01

    We propose a compact atomic clock based on ultracold Rb atoms that are magnetically trapped near the surface of an atom microchip. An interrogation scheme that combines electromagnetically-induced transparency (EIT) with Ramsey's method of separated oscillatory fields can achieve atomic shot-noise level performance of 10^{-13}/sqrt(tau) for 10^6 atoms. The EIT signal can be detected with a heterodyne technique that provides noiseless gain; with this technique the optical phase shift of a 100 pW probe beam can be detected at the photon shot-noise level. Numerical calculations of the density matrix equations are used to identify realistic operating parameters at which AC Stark shifts are eliminated. By considering fluctuations in these parameters, we estimate that AC Stark shifts can be canceled to a level better than 2*10^{-14}. An overview of the apparatus is presented with estimates of duty cycle and power consumption.

  7. Presenting the Bohr Atom.

    Science.gov (United States)

    Haendler, Blanca L.

    1982-01-01

    Discusses the importance of teaching the Bohr atom at both freshman and advanced levels. Focuses on the development of Bohr's ideas, derivation of the energies of the stationary states, and the Bohr atom in the chemistry curriculum. (SK)

  8. Imaging Lithium Atoms at Sub-Angstrom Resolution

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, Michael A.; Shao-Horn, Yang

    2005-01-03

    John Cowley and his group at ASU were pioneers in the use of transmission electron microscopy (TEM) for high-resolution imaging. Three decades ago they achieved images showing the crystal unit cell content at better than 4A resolution. Over the years, this achievement has inspired improvements in resolution that have enabled researchers to pinpoint the positions of heavy atom columns within the cell. More recently, this ability has been extended to light atoms as resolution has improved. Sub-Angstrom resolution has enabled researchers to image the columns of light atoms (carbon, oxygen and nitrogen) that are present in many complex structures. By using sub-Angstrom focal-series reconstruction of the specimen exit surface wave to image columns of cobalt, oxygen, and lithium atoms in a transition metal oxide structure commonly used as positive electrodes in lithium rechargeable batteries, we show that the range of detectable light atoms extends to lithium. HRTEM at sub-Angstrom resolution will provide the essential role of experimental verification for the emergent nanotech revolution. Our results foreshadow those to be expected from next-generation TEMs with CS-corrected lenses and monochromated electron beams.

  9. Single Atom Plasmonic Switch

    OpenAIRE

    Emboras, Alexandros; Niegemann, Jens; Ma, Ping; Haffner, Christian; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2015-01-01

    The atom sets an ultimate scaling limit to Moores law in the electronics industry. And while electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling-similar to electronics-is only limited by the atom. More precisely, we introduce an electrically controlled single atom plasmonic switch. The switch allows for fast and reproducible switching by means of the relocation of an individ...

  10. Atomic Scale Plasmonic Switch

    OpenAIRE

    Emboras, A.; Niegemann, J.; Ma, P.; Haffner, C; Pedersen, A.; Luisier, M.; Hafner, C.; Schimmel, T.; Leuthold, J.

    2016-01-01

    The atom sets an ultimate scaling limit to Moore’s law in the electronics industry. While electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling, similar to electronics, is only limited by the atom. More precisely, we introduce an electrically controlled plasmonic switch operating at the atomic scale. The switch allows for fast and reproducible switching by means of the relocat...

  11. Atoms Talking to SQUIDs

    CERN Document Server

    Hoffman, J E; Kim, Z; Wood, A K; Anderson, J R; Dragt, A J; Hafezi, M; Lobb, C J; Orozco, L A; Rolston, S L; Taylor, J M; Vlahacos, C P; Wellstood, F C

    2011-01-01

    We present a scheme to couple trapped $^{87}$Rb atoms to a superconducting flux qubit through a magnetic dipole transition. We plan to trap atoms on the evanescent wave outside an ultrathin fiber to bring the atoms to less than 10 $\\mu$m above the surface of the superconductor. This hybrid setup lends itself to probing sources of decoherence in superconducting qubits. Our current plan has the intermediate goal of coupling the atoms to a superconducting LC resonator.

  12. Atomic Storage States

    Institute of Scientific and Technical Information of China (English)

    汪凯戈; 朱诗尧

    2002-01-01

    We present a complete description of atomic storage states which may appear in the electromagnetically induced transparency (EIT). The result shows that the spatial coherence has been included in the atomic collective operators and the atomic storage states. In some limits, a set of multimode atomic storage states has been established in correspondence with the multimode Fock states of the electromagnetic field. This gives a better understanding of the fact that, in BIT, the optical coherent information can be preserved and recovered.

  13. Complex Materials by Atomic Layer Deposition.

    Science.gov (United States)

    Schwartzberg, Adam M; Olynick, Deirdre

    2015-10-14

    Complex materials are defined as nanostructured materials with combinations of structure and/or composition that lead to performance surpassing the sum of their individual components. There are many methods that can create complex materials; however, atomic layer deposition (ALD) is uniquely suited to control composition and structural parameters at the atomic level. The use of ALD for creating complex insulators, semiconductors, and conductors is discussed, along with its use in novel structural applications.

  14. The Nature of Atoms.

    Science.gov (United States)

    Holden, Alan

    This monograph was written for the purpose of presenting physics to college students who are not preparing for careers in physics. It deals with the nature of atoms, and treats the following topics: (1) the atomic hypothesis, (2) the chemical elements, (3) models of an atom, (4) a particle in a one-dimensional well, (5) a particle in a central…

  15. Atomic Spectra Database (ASD)

    Science.gov (United States)

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  16. Additively Manufactured Open-Cell Porous Biomaterials Made from Six Different Space-Filling Unit Cells: The Mechanical and Morphological Properties

    Directory of Open Access Journals (Sweden)

    Seyed Mohammad Ahmadi

    2015-04-01

    Full Text Available It is known that the mechanical properties of bone-mimicking porous biomaterials are a function of the morphological properties of the porous structure, including the configuration and size of the repeating unit cell from which they are made. However, the literature on this topic is limited, primarily because of the challenge in fabricating porous biomaterials with arbitrarily complex morphological designs. In the present work, we studied the relationship between relative density (RD of porous Ti6Al4V EFI alloy and five compressive properties of the material, namely elastic gradient or modulus (Es20–70, first maximum stress, plateau stress, yield stress, and energy absorption. Porous structures with different RD and six different unit cell configurations (cubic (C, diamond (D, truncated cube (TC, truncated cuboctahedron (TCO, rhombic dodecahedron (RD, and rhombicuboctahedron (RCO were fabricated using selective laser melting. Each of the compressive properties increased with increase in RD, the relationship being of a power law type. Clear trends were seen in the influence of unit cell configuration and porosity on each of the compressive properties. For example, in terms of Es20–70, the structures may be divided into two groups: those that are stiff (comprising those made using C, TC, TCO, and RCO unit cell and those that are compliant (comprising those made using D and RD unit cell.

  17. High-precision atom localization via controllable spontaneous emission in a cycle-configuration atomic system.

    Science.gov (United States)

    Ding, Chunling; Li, Jiahua; Yu, Rong; Hao, Xiangying; Wu, Ying

    2012-03-26

    A scheme for realizing two-dimensional (2D) atom localization is proposed based on controllable spontaneous emission in a coherently driven cycle-configuration atomic system. As the spatial-position-dependent atom-field interaction, the frequency of the spontaneously emitted photon carries the information about the position of the atom. Therefore, by detecting the emitted photon one could obtain the position information available, and then we demonstrate high-precision and high-resolution 2D atom localization induced by the quantum interference between the multiple spontaneous decay channels. Moreover, we can achieve 100% probability of finding the atom at an expected position by choosing appropriate system parameters under certain conditions.

  18. Atomic Parameters for the $2p^53p~^2[3/2]_2 - 2p^53s~^2[3/2]^o_2$ Transition of Ne I relevant in nuclear physics

    CERN Document Server

    Li, Jiguang; Wang, Jianguo

    2016-01-01

    We calculated the magnetic dipole hyperfine interaction constants and the electric field gradients of $2p^53p~^2[3/2]_2$ and $2p^53s~^2[3/2]^o_2$ levels of Ne I by using the multiconfiguration Dirac-Hartree-Fock method. The electronic factors contributing to the isotope shifts were also estimated for the $\\lambda = 614.5$ nm transition connecting these two states. Electron correlation and relativistic effects including the Breit interaction were investigated in details. Combining with recent measurements, we extracted the nuclear quadrupole moment values for $^{20}$Ne and $^{23}$Ne with a smaller uncertainty than the current available data. Isotope shifts in the $2p^53p~^2[3/2]_2 - 2p^53s~^2[3/2]^o_2$ transition based on the present calculated field- and mass-shift parameters are in good agreement with the experimental values. However, the field shifts in this transition are two or three orders of magnitude smaller than the mass shifts, making rather difficult to deduce changes in nuclear charge mean square r...

  19. Autoionizing states of atomic boron

    Science.gov (United States)

    Argenti, Luca; Moccia, Roberto

    2016-04-01

    We present a B -spline K -matrix method for three-active-electron atoms in the presence of a polarizable core, with which it is possible to compute multichannel single-ionization scattering states with good accuracy. We illustrate the capabilities of the method by computing the parameters of several autoionizing states of the boron atom, with S2e, 2,o2P and D2e symmetry, up to at least the 2 p2(1S) excitation threshold of the B ii parent ion, as well as selected portions of the photoionization cross section from the ground state. Our results exhibit remarkable gauge consistency, they significantly extend the existing sparse record of data for the boron atom, and they are in good agreement with the few experimental and theoretical data available in the literature. These results open the way to extend to three-active-electron systems the spectral analysis of correlated wave packets in terms of accurate scattering states that has already been demonstrated for two-electron atoms in Argenti and Lindroth [Phys. Rev. Lett. 105, 053002 (2010), 10.1103/PhysRevLett.105.053002].

  20. New qualitative results of the atomic theory

    Science.gov (United States)

    Dyugaev, A. M.; Lebedeva, E. V.

    2016-11-01

    The polarizability α of many atoms and positive ions is related to their energy gap Δ and valence m by the expression αΔ2 ≅ m (in atomic units). The parameter Δ corresponds to a dipolar transition from the ground state to the first excited P state without a change in the principal quantum number n. This relation holds for univalent ( m = 1) Na, K, Rb, Cs, Fr and bivalent ( m = 2) Mg, Ca, Zn, Sr, Cd, Ba, Yb, Hg atoms. The above relation agrees with the experiment for positive ions Mg+ and Ca+ ( m = 1) and Al+ and Ga+ ( m = 2). The polarizability has been found for atoms and ions of the type Zn+, In+, Tl+, for which experimental data are unavailable. A method of calculating α for ions of the types C++, Al++, Si++ and Si+++, P+++, As+++ has been suggested based on the approximate relation α ≅(2/30)2/ m with the parameter 0 expressed in terms of the valence m, the charge number q of the atomic or ionic residue, and the ionization potential {J_q} = {{q^2}}/{2v_s^2} as {0 on the parameter νs has been derived by analytical continuation from the integer values νs = 1 and 2. A variational estimate of the van der Waals constant characterizing the interaction of two spherically symmetric atoms at large distances has been given.

  1. Intense deuterium nuclear fusion of pycnodeuterium-lumps coagulated locally within highly deuterated atom clusters

    CERN Document Server

    Yoshiaki, A; Zhang, Y C

    2002-01-01

    Embedded nano-Pd particles of 5 nm in size instantly abundant D-atoms more than 250% in the atomic ratio against Pd-atoms at room temperature when they are kept in D sub 2 gas pressurized to less than 10 atm. In such ultrahigh densities, 2-4 D-atoms can be coagulated inside each octahedral space of Pd lattice (pycnodeuterium-lump). When a stimulation energy such as latticequake causing by ultrasonic wave was supplied to those highly deuterated Pd particles, intense deuterium nuclear fusion (''solid fusion'') was generated there and both excess heat and sup 4 He gas were abundantly produced. Naturally, these facts can not be realized at all in bulk Pd. The results show that the nuclear fusion occurs without any hazardous rays in pycnodeuterium-lumps coagulated locally inside the each cell of the host metal lattice. These unit cells correspond to minimum unit of the solid fusion reactor as a ''Lattice Reactor''. (author)

  2. Single Atom Plasmonic Switch

    CERN Document Server

    Emboras, Alexandros; Ma, Ping; Haffner, Christian; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2015-01-01

    The atom sets an ultimate scaling limit to Moores law in the electronics industry. And while electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling-similar to electronics-is only limited by the atom. More precisely, we introduce an electrically controlled single atom plasmonic switch. The switch allows for fast and reproducible switching by means of the relocation of an individual or at most - a few atoms in a plasmonic cavity. Depending on the location of the atom either of two distinct plasmonic cavity resonance states are supported. Experimental results show reversible digital optical switching with an extinction ration of 10 dB and operation at room temperature with femtojoule (fJ) power consumption for a single switch operation. This demonstration of a CMOS compatible, integrated quantum device allowing to control photons at the single-atom level opens intriguing perspectives for a fully i...

  3. Selective laser melting: a unit cell approach for the manufacture of porous, titanium, bone in-growth constructs, suitable for orthopedic applications. II. Randomized structures.

    Science.gov (United States)

    Mullen, Lewis; Stamp, Robin C; Fox, Peter; Jones, Eric; Ngo, Chau; Sutcliffe, Christopher J

    2010-01-01

    In this study, the unit cell approach, which has previously been demonstrated as a method of manufacturing porous components suitable for use as orthopedic implants, has been further developed to include randomized structures. These random structures may aid the bone in-growth process because of their similarity in appearance to trabecular bone and are shown to carry legacy properties that can be related back to the original unit cell on which they are ultimately based. In addition to this, it has been shown that randomization improves the mechanical properties of regular unit cell structures, resulting in anticipated improvements to both implant functionality and longevity. The study also evaluates the effect that a post process sinter cycle has on the components, outlines the improved mechanical properties that are attainable, and also the changes in both the macro and microstructure that occur.

  4. Probing Dark Energy with Atom Interferometry

    CERN Document Server

    Burrage, Clare; Hinds, E A

    2015-01-01

    Theories of dark energy require a screening mechanism to explain why the associated scalar fields do not mediate observable long range fifth forces. The archetype of this is the chameleon field. Here we show that individual atoms are too small to screen the chameleon field inside a large high-vacuum chamber, and therefore can detect the field with high sensitivity. We derive new limits on the chameleon parameters from existing experiments, and show that most of the remaining chameleon parameter space is readily accessible using atom interferometry.

  5. Localizing an atom using electromagnetically induced transparency in three dimensions

    Science.gov (United States)

    Chen, Jinyu; Song, Fei; Ma, Yangcheng; Wang, Zhiping; Yu, Benli

    2017-09-01

    A new scheme for three-dimensional (3D) atom localization is proposed, in which the atomic system is driven by three orthogonal standing-wave lasers. Because of the space-dependent atom-field interaction, the position probability distribution of the atom can be directly determined by measuring the probe absorption. It is found that, by properly varying the parameters of the system, the probability of finding the atom in 3D space can be almost 100%. Our scheme opens a promising way to achieve high-precision and high-efficiency 3D atom localization, which provides some potential applications in laser cooling or atom nano-lithography via atom localization.

  6. Solid-liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono-atomic model of water via the capillary wave method.

    Science.gov (United States)

    Ambler, Michael; Vorselaars, Bart; Allen, Michael P; Quigley, David

    2017-02-21

    We apply the capillary wave method, based on measurements of fluctuations in a ribbon-like interfacial geometry, to determine the solid-liquid interfacial free energy for both polytypes of ice I and the recently proposed ice 0 within a mono-atomic model of water. We discuss various choices for the molecular order parameter, which distinguishes solid from liquid, and demonstrate the influence of this choice on the interfacial stiffness. We quantify the influence of discretisation error when sampling the interfacial profile and the limits on accuracy imposed by the assumption of quasi one-dimensional geometry. The interfacial free energies of the two ice I polytypes are indistinguishable to within achievable statistical error and the small ambiguity which arises from the choice of order parameter. In the case of ice 0, we find that the large surface unit cell for low index interfaces constrains the width of the interfacial ribbon such that the accuracy of results is reduced. Nevertheless, we establish that the interfacial free energy of ice 0 at its melting temperature is similar to that of ice I under the same conditions. The rationality of a core-shell model for the nucleation of ice I within ice 0 is questioned within the context of our results.

  7. Solid-liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono-atomic model of water via the capillary wave method

    Science.gov (United States)

    Ambler, Michael; Vorselaars, Bart; Allen, Michael P.; Quigley, David

    2017-02-01

    We apply the capillary wave method, based on measurements of fluctuations in a ribbon-like interfacial geometry, to determine the solid-liquid interfacial free energy for both polytypes of ice I and the recently proposed ice 0 within a mono-atomic model of water. We discuss various choices for the molecular order parameter, which distinguishes solid from liquid, and demonstrate the influence of this choice on the interfacial stiffness. We quantify the influence of discretisation error when sampling the interfacial profile and the limits on accuracy imposed by the assumption of quasi one-dimensional geometry. The interfacial free energies of the two ice I polytypes are indistinguishable to within achievable statistical error and the small ambiguity which arises from the choice of order parameter. In the case of ice 0, we find that the large surface unit cell for low index interfaces constrains the width of the interfacial ribbon such that the accuracy of results is reduced. Nevertheless, we establish that the interfacial free energy of ice 0 at its melting temperature is similar to that of ice I under the same conditions. The rationality of a core-shell model for the nucleation of ice I within ice 0 is questioned within the context of our results.

  8. Effect of growth mechanisms on the deformation of a unit cell and polarization reversal in barium-strontium titanate heterostructures on magnesium oxide

    Science.gov (United States)

    Mukhortov, V. M.; Golovko, Yu. I.; Biryukov, S. V.; Anokhin, A.; Yuzyuk, Yu. I.

    2016-01-01

    The effect of a growth mechanism on the unit cell strain and the related change in the properties of single-crystal Ba0.8Sr0.2TiO3 films grown on MgO substrates according to the Frank-van der Merwe and Volmer-Weber growth mechanisms is studied. The unit cell strain is shown to depend substantially on the film thickness and the growth mechanism. It is found that the same film-substrate pair can be used to vary stresses in the film from two-dimensional tensile to compressive stresses due to a change in the growth mechanism and the film thickness.

  9. Long range intermolecular forces in triatomic systems: connecting the atom-diatom and atom-atom-atom representations

    OpenAIRE

    2005-01-01

    The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The anisotropy of atom-diatom C_6 dispersion coefficients arises primarily from nonadditive triple-dipole and quadruple-dipole forces, while pairwise-additive forces and nonadditive triple-dipole and dipole-dipole-quadrupole forces contribute significantly to atom-di...

  10. Calculation of Al-Zn diagram from central atoms model

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    A slightly modified central atoms model was proposed. The probabilities of various clusters with the central atoms and their nearest neighboring shells can be calculated neglecting the assumption of the param eter of energy in the central atoms model in proportion to the number of other atoms i (referred with the central atom). A parameter Pα is proposed in this model, which equals to reciprocal of activity coefficient of a component, therefore, the new model can be understood easily. By this model, the Al-Zn phase diagram and its thermodynamic properties were calculated, the results coincide with the experimental data.

  11. Atomic Mass and Nuclear Binding Energy for Po-269 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-269 (Polonium, atomic number Z = 84, mass number A = 269).

  12. Atomic Mass and Nuclear Binding Energy for Po-278 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-278 (Polonium, atomic number Z = 84, mass number A = 278).

  13. Atomic Mass and Nuclear Binding Energy for Po-282 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-282 (Polonium, atomic number Z = 84, mass number A = 282).

  14. Atomic Mass and Nuclear Binding Energy for Po-271 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-271 (Polonium, atomic number Z = 84, mass number A = 271).

  15. Atomic Mass and Nuclear Binding Energy for Po-283 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-283 (Polonium, atomic number Z = 84, mass number A = 283).

  16. Atomic Mass and Nuclear Binding Energy for Po-281 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-281 (Polonium, atomic number Z = 84, mass number A = 281).

  17. Atomic Mass and Nuclear Binding Energy for Po-284 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-284 (Polonium, atomic number Z = 84, mass number A = 284).

  18. Atomic Mass and Nuclear Binding Energy for Po-280 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-280 (Polonium, atomic number Z = 84, mass number A = 280).

  19. Atomic Mass and Nuclear Binding Energy for Po-272 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-272 (Polonium, atomic number Z = 84, mass number A = 272).

  20. Atomic Mass and Nuclear Binding Energy for Po-276 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-276 (Polonium, atomic number Z = 84, mass number A = 276).

  1. Atomic Mass and Nuclear Binding Energy for Po-277 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-277 (Polonium, atomic number Z = 84, mass number A = 277).

  2. Atomic Mass and Nuclear Binding Energy for Po-275 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-275 (Polonium, atomic number Z = 84, mass number A = 275).

  3. Atomic Mass and Nuclear Binding Energy for Po-273 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-273 (Polonium, atomic number Z = 84, mass number A = 273).

  4. Atomic Mass and Nuclear Binding Energy for Po-274 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-274 (Polonium, atomic number Z = 84, mass number A = 274).

  5. Atomic Mass and Nuclear Binding Energy for Po-270 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-270 (Polonium, atomic number Z = 84, mass number A = 270).

  6. Atomic Mass and Nuclear Binding Energy for Po-279 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-279 (Polonium, atomic number Z = 84, mass number A = 279).

  7. Atomic Mass and Nuclear Binding Energy for Ra-226 (Radium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Ra-226 (Radium, atomic number Z = 88, mass number A = 226).

  8. Doping Scheme in Atomic Chain Electronics

    Science.gov (United States)

    Toshishige, Yamada

    1997-01-01

    Due to the dramatic reduction in MOS size, there appear many unwanted effects. In these small devices, the number of dopant atoms in the channel is not macroscopic and electrons may suffer significantly different scattering from device to device since the spatial distribution of dopant atoms is no longer regarded as continuous. This prohibits integration, while it is impossible to control such dopant positions within atomic scale. A fundamental solution is to create electronics with simple but atomically precise structures, which could be fabricated with recent atom manipulation technology. All the constituent atoms are placed as planned, and then the device characteristics are deviation-free, which is mandatory for integration. Atomic chain electronics belongs to this category. Foreign atom chains or arrays form devices, and they are placed on the atomically flat substrate surface. We can design the band structure and the resultant Fermi energy of these structures by manipulating the lattice constant. Using the tight-binding theory with universal parameters, it has been predicted that isolated Si chains and arrays are metallic, Mg chains are insulating, and Mg arrays have metallic and insulating phases [1]. The transport properties along a metallic chain have been studied, emphasizing the role of the contact to electrodes [2]. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along die chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome

  9. Single atom diffusion of Pb on a Si(1 1 1)-7 × 7 surface

    Science.gov (United States)

    Kuntová, Z.; Jelínek, P.; Cháb, V.; Chvoj, Z.

    2004-09-01

    Pb diffusion on the Si(1 1 1)-7 × 7 surface was studied with 16 different energy barriers. As a part of general problem of diffusion in the unit cell, some characteristics of diffusion (as frequency factor, effective energy barrier or differences in binding energy) was found analytically as a steady state solution of the master equation. The probability distribution of the occupation of particular sites was compared with the result of the Monte Carlo simulation and the STM experiment. Starting from the values obtained with the semi-empirical extended Hückel approximation, the diffusion barriers were adjusted to obtain a reasonable coherence with the experiment. The results of MC simulation and the analytical solution agree quite well and reproduce the dynamics of a Pb atom in the 7 × 7 unit cell.

  10. Analytic expressions for the constitutive parameters of magnetoelectric metamaterials.

    Science.gov (United States)

    Smith, D R

    2010-03-01

    Electromagnetic metamaterials are artificially structured media typically composed of arrays of resonant electromagnetic circuits, the dimension and spacing of which are considerably smaller than the free-space wavelengths of operation. The constitutive parameters for metamaterials, which can be obtained using full-wave simulations in conjunction with numerical retrieval algorithms, exhibit artifacts related to the finite size of the metamaterial cell relative to the wavelength. Liu [R. Liu, T. J. Cui, D. Huang, B. Zhao, and D. R. Smith, Phys. Rev. E 76, 026606 (2007)] showed that the complicated, frequency-dependent forms of the constitutive parameters can be described by a set of relatively simple analytical expressions. These expressions provide useful insight and can serve as the basis for more intelligent interpolation or optimization schemes. Here, we show that the same analytical expressions can be obtained using a transfer-matrix formalism applied to a one-dimensional periodic array of thin, resonant, dielectric, or magnetic sheets. The transfer-matrix formalism breaks down, however, when both electric and magnetic responses are present in the same unit cell, as it neglects the magnetoelectric coupling between unit cells [C. R. Simovski, Metamaterials 1, 62 (2007)]. We show that an alternative analytical approach based on the same physical model must be applied for such structures. Furthermore, in addition to the intercell coupling, electric and magnetic resonators within a unit cell may also exhibit magnetoelectric coupling. For such cells, we find an analytical expression for the effective index, which displays markedly characteristic dispersion features that depend on the strength of the coupling coefficient. We illustrate the applicability of the derived expressions by comparing to full-wave simulations on magnetoelectric unit cells. We conclude that the design of metamaterials with tailored simultaneous electric and magnetic response-such as negative

  11. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant

    2015-01-01

    Much of our understanding of physics in the last 30-plus years has come from research on atoms, photons, and their interactions. Collecting information previously scattered throughout the literature, Modern Atomic Physics provides students with one unified guide to contemporary developments in the field. After reviewing metrology and preliminary material, the text explains core areas of atomic physics. Important topics discussed include the spontaneous emission of radiation, stimulated transitions and the properties of gas, the physics and applications of resonance fluorescence, coherence, cooling and trapping of charged and neutral particles, and atomic beam magnetic resonance experiments. Covering standards, a different way of looking at a photon, stimulated radiation, and frequency combs, the appendices avoid jargon and use historical notes and personal anecdotes to make the topics accessible to non-atomic physics students. Written by a leader in atomic and optical physics, this text gives a state-of-the...

  12. Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials

    CERN Document Server

    Sinitskiy, Anton V; Tokmachev, Andrei M; Dronskowski, Richard

    2009-01-01

    We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of Fe(phen)$_{2}$(NCS)$_{2}$ (phen = 1,10-phenanthroline), Fe(btz)$_{2}$(NCS)$_{2}$ (btz = 5,5$^{\\prime }$,6,6$^{\\prime}$-tetrahydro-4\\textit{H},4$^{\\prime}$\\textit{H}-2,2$^{\\prime }$-bi-1,3-thiazine), and Fe(bpz)$_{2}$(bipy) (bpz = dihydrobis(1-pyrazolil)borate, and bipy = 2,2$^{\\prime}$-bipyridine). All molecular geometries are taken from the X-ray experimental data and assumed to be frozen. The unit cell dimensions and angles, positions of the centers of masses of molecules, and the orientations of molecules corresponding to the minimum energy at 1 atm and 1 GPa are calculated. The optimized crystal structures are in a good agreement with the experimental data. Sources of the residual discrepancies between the calculated and experimental structures are discussed. The intermolecular contributions to the enthalpy of the spin transiti...

  13. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

    This series describes selected advances in the area of atomic spectroscopy. It is primarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  14. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1995-01-01

    This series describes selected advances in the area of atomic spectroscopy. It is promarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  15. The Software Atom

    CERN Document Server

    Javanainen, Juha

    2016-01-01

    By putting together an abstract view on quantum mechanics and a quantum-optics picture of the interactions of an atom with light, we develop a corresponding set of C++ classes that set up the numerical analysis of an atom with an arbitrary set of angular-momentum degenerate energy levels, arbitrary light fields, and an applied magnetic field. As an example, we develop and implement perturbation theory to compute the polarizability of an atom in an experimentally relevant situation.

  16. The Software Atom

    Science.gov (United States)

    Javanainen, Juha

    2017-03-01

    By putting together an abstract view on quantum mechanics and a quantum-optics picture of the interactions of an atom with light, we develop a corresponding set of C++ classes that set up the numerical analysis of an atom with an arbitrary set of angular-momentum degenerate energy levels, arbitrary light fields, and an applied magnetic field. As an example, we develop and implement perturbation theory to compute the polarizability of an atom in an experimentally relevant situation.

  17. Atomicity in Electronic Commerce,

    Science.gov (United States)

    1996-01-01

    tremendous demand for the ability to electronically buy and sell goods over networks. Electronic commerce has inspired a large variety of work... commerce . It then briefly surveys some major types of electronic commerce pointing out flaws in atomicity. We pay special attention to the atomicity...problems of proposals for digital cash. The paper presents two examples of highly atomic electronic commerce systems: NetBill and Cryptographic Postage Indicia.

  18. Atomic homodyne detection of weak atomic transitions.

    Science.gov (United States)

    Gunawardena, Mevan; Elliott, D S

    2007-01-26

    We have developed a two-color, two-pathway coherent control technique to detect and measure weak optical transitions in atoms by coherently beating the transition amplitude for the weak transition with that of a much stronger transition. We demonstrate the technique in atomic cesium, exciting the 6s(2)S(1/2) --> 8s(2)S(1/2) transition via a strong two-photon transition and a weak controllable Stark-induced transition. We discuss the enhancement in the signal-to-noise ratio for this measurement technique over that of direct detection of the weak transition rate, and project future refinements that may further improve its sensitivity and application to the measurement of other weak atomic interactions.

  19. Atom probe crystallography

    National Research Council Canada - National Science Library

    Gault, Baptiste; Moody, Michael P; Cairney, Julie M; Ringer, Simon P

    2012-01-01

    This review addresses new developments in the emerging area of "atom probe crystallography", a materials characterization tool with the unique capacity to reveal both composition and crystallographic...

  20. The Effect of Vacuum Fluctuations on Quantum Metrology for a Uniformly Accelerated Atom

    Science.gov (United States)

    Jin, Yao

    2016-12-01

    We studied, in the framework of open quantum systems, the dynamics of the quantum Fisher information of the parameters of the initial atomic state and atomic transition frequency for a uniformly accelerated polarizable two-level atom coupled in the multipolar scheme to a bath of fluctuating vacuum electromagnetic fields in Minkowski space-time. Our results show that the vacuum fluctuations in Minkowski space-time always make the quantum Fisher information decay, thus degrade the precision of the parameter estimation. The acceleration of the atom makes the quantum Fisher information of initial parameters of atomic state decay faster than those in case with static atom in Minkowski vacuum and even those in case with static atom in Minkowski thermal bath with corresponding Unruh temperature. The maxima of quantum Fisher information of atomic frequency and the optimal measurement time are shown to be smaller than those in the static atom in vacuum case as well as those in the corresponding thermal case.

  1. Neutron Resonance Parameters for Ra-226 (Radium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Volume 24 `Neutron Resonance Parameters' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides the neutron resonance parameters for the isotope Ra-226 (Radium).

  2. Rydberg blockade in a hot atomic beam

    Science.gov (United States)

    Yoshida, S.; Burgdörfer, J.; Zhang, X.; Dunning, F. B.

    2017-04-01

    The dipole blockade of very-high-n , n ˜300 , strontium 5 s n f 1F3 Rydberg atoms in a hot atomic beam is studied. For such high n , the blockade radius can exceed the linear dimensions of the excitation volume. Rydberg atoms formed inside the excitation volume can, upon leaving the region, continue to suppress excitation until they have moved farther away than the blockade radius. Moreover, the high density of states originating from the many magnetic sublevels associated with the F states results in a small but finite probability of excitation of L =3 n 1F3 atom pairs at small internuclear separations below the blockade radius. We demonstrate that these effects can be distinguished from one another by the distinct features they imprint on the Mandel Q parameter as a function of the duration of the exciting laser.

  3. Additively Manufactured Open-Cell Porous Biomaterials Made from Six Different Space-Filling Unit Cells: The Mechanical and Morphological Properties

    NARCIS (Netherlands)

    Ahmadi, S.M.; Yavari, S.A.; Wauthle, R.; Pouran, B.; Schrooten, J.; Weinans, H.; Zadpoor, A.A.

    2015-01-01

    It is known that the mechanical properties of bone-mimicking porous biomaterials are a function of the morphological properties of the porous structure, including the configuration and size of the repeating unit cell from which they are made. However, the literature on this topic is limited, primari

  4. Thermodynamics of Condensed Phases: Formula Unit Volume, "V[subscript m]", and the Determination of the Number of Formula Units, "Z", in a Crystallographic Unit Cell

    Science.gov (United States)

    Glasser, Leslie

    2011-01-01

    Formula unit (or molecular) volume, "V[subscript m]", is related to many thermodynamic and physical properties of materials, so that knowledge of "V[subscript m]" is useful in prediction of such properties for known and even hypothetical materials. The symbol "Z" represents the number of formula units in a crystallographic unit cell; "Z" thus…

  5. Evanescent Wave Atomic Mirror

    Science.gov (United States)

    Ghezali, S.; Taleb, A.

    2008-09-01

    A research project at the "Laboratoire d'électronique quantique" consists in a theoretical study of the reflection and diffraction phenomena via an atomic mirror. This poster presents the principle of an atomic mirror. Many groups in the world have constructed this type of atom optics experiments such as in Paris-Orsay-Villetaneuse (France), Stanford-Gaithersburg (USA), Munich-Heidelberg (Germany), etc. A laser beam goes into a prism with an incidence bigger than the critical incidence. It undergoes a total reflection on the plane face of the prism and then exits. The transmitted resulting wave out of the prism is evanescent and repulsive as the frequency detuning of the laser beam compared to the atomic transition δ = ωL-ω0 is positive. The cold atomic sample interacts with this evanescent wave and undergoes one or more elastic bounces by passing into backward points in its trajectory because the atoms' kinetic energy (of the order of the μeV) is less than the maximum of the dipolar potential barrier ℏΩ2/Δ where Ω is the Rabi frequency [1]. In fact, the atoms are cooled and captured in a magneto-optical trap placed at a distance of the order of the cm above the prism surface. The dipolar potential with which interact the slow atoms is obtained for a two level atom in a case of a dipolar electric transition (D2 Rubidium transition at a wavelength of 780nm delivered by a Titane-Saphir laser between a fundamental state Jf = l/2 and an excited state Je = 3/2). This potential is corrected by an attractive Van der Waals term which varies as 1/z3 in the Lennard-Jones approximation (typical atomic distance of the order of λ0/2π where λ0 is the laser wavelength) and in 1/z4 if the distance between the atom and its image in the dielectric is big in front of λ0/2π. This last case is obtained in a quantum electrodynamic calculation by taking into account an orthornormal base [2]. We'll examine the role of spontaneous emission for which the rate is inversely

  6. Influence of the virtual photon field on the squeezing properties of an atom laser

    Institute of Scientific and Technical Information of China (English)

    Zhao Jian-Gang; Sun Chang-Yong; Wen Ling-Hua; Liang Bao-Long

    2009-01-01

    This paper investigates the squeezing properties of an atom laser without rotating-wave approximation in the system of a binomial states field interacting with a two-level atomic Bose-Einstein condensate. It discusses the influences of atomic eigenfrequency, the interaction intensity between the optical field and atoms, parameter of the binomial states field and virtual photon field on the squeezing properties. The results show that two quadrature components of an atom laser can be squeezed periodically. The duration and the degree of squeezing an atom laser have something to do with the atomic eigenfrequency and the parameter of the binomial states field, respectively. The collapse and revival frequency of atom laser fluctuation depends on the interaction intensity between the optical field and atoms. The effect of the virtual photon field deepens the depth of squeezing an atom laser.

  7. Schwinger pair production with ultracold atoms

    Science.gov (United States)

    Kasper, V.; Hebenstreit, F.; Oberthaler, M. K.; Berges, J.

    2016-09-01

    We consider a system of ultracold atoms in an optical lattice as a quantum simulator for electron-positron pair production in quantum electrodynamics (QED). For a setup in one spatial dimension, we investigate the nonequilibrium phenomenon of pair production including the backreaction leading to plasma oscillations. Unlike previous investigations on quantum link models, we focus on the infinite-dimensional Hilbert space of QED and show that it may be well approximated by experiments employing Bose-Einstein condensates interacting with fermionic atoms. Numerical calculations based on functional integral techniques give a unique access to the physical parameters required to realize QED phenomena in a cold atom experiment. In particular, we use our approach to consider quantum link models in a yet unexplored parameter regime and give bounds for their ability to capture essential features of the physics. The results suggest a paradigmatic change towards realizations using coherent many-body states for quantum simulations of high-energy particle physics phenomena.

  8. Inductively guided circuits for ultracold dressed atoms

    CERN Document Server

    Sinuco-Leon, German; Arnold, Aidan S; Garraway, Barry M

    2014-01-01

    We propose a flexible and robust scheme to create closed quasi-one dimensional guides for ultra-cold atoms through the dressing of hyperfine sub-levels of the atomic ground state. The dressing field is spatially modulated by inductive effects over a micro-engineered conducting loop, freeing the trapping region from leading wires in its proximity. We show that arrays of connected ring traps can also be created by carefully designing the shape of the conducting loop. We report on characteristics of the trap and mechanisms that limit the range of parameters available for experimental implementation, including non-adiabatic losses and heat dissipation by induced currents. We outline conditions to select appropriate parameters for operation of the trap with atom-chip technology.

  9. Phase coexistence calculations via a unit-cell Gibbs ensemble formalism for melts of reversibly bonded block copolymers

    Science.gov (United States)

    Mester, Zoltan; Lynd, Nathaniel; Fredrickson, Glenn

    2013-03-01

    Melts of block copolymer blends can exhibit coexistence between compositionally and morphologically distinct phases. We derived a unit-cell approach for a field theoretic Gibbs ensemble formalism to rapidly map out such coexistence regions. We also developed a canonical ensemble model for the reversible reaction of supramolecular polymers and integrated it into the Gibbs ensemble scheme. This creates a faster method for generating phase diagrams in complex supramolecular systems than the usual grand canonical ensemble method and allows us to specify the system in experimentally accessible volume fractions rather than chemical potentials. The integrated approach is used to calculate phase diagrams for AB diblock copolymers reversibly reacting with B homopolymers to form a new diblocks we term ``ABB.'' For our case, we use a diblock that is sixty percent A monomer and a homopolymer that is the same length as the diblock. In the limits of infinite reaction favorability (large equilibrium constant), the system approaches cases of an ABB diblock-B homopolymer blend when the AB diblock is the limiting reactant and AB diblock-ABB diblock blend when the homopolymer is the limiting reactant. As reaction favorability is decreased, the phase boundaries shift towards higher homopolymer compositions so that sufficient reaction can take place to produce the ABB diblock that has a deciding role stabilizing the observed phases.

  10. Spontaneously induced atom-radiation entanglement in an ensemble of two-level atoms

    OpenAIRE

    Tesfa, Sintayehu

    2007-01-01

    Analysis of the spontaneously induced correlation on atom-radiation entanglement in an ensemble of two-level atoms initially prepared in the upper level and placed in a cavity containing a squeezed radiation employing the method of evaluating the coherent-state propagator is presented. It is found that the cavity radiation exhibits squeezing which is directly attributed to the squeezed radiation in the cavity. The intensity of the cavity radiation increases with the squeeze parameter and inte...

  11. Constraining symmetron fields with atom interferometry

    CERN Document Server

    Burrage, Clare; Stevenson, James; Thrussell, Ben

    2016-01-01

    We apply the new constraints from atom-interferometry searches for screening mechanisms to the symmetron model, finding that these experiments exclude a previously unexplored region of parameter space. We discuss the possibility of networks of domain walls forming in the vacuum chamber, and how this could be used to discriminate between models of screening.

  12. Atomic Scale Plasmonic Switch.

    Science.gov (United States)

    Emboras, Alexandros; Niegemann, Jens; Ma, Ping; Haffner, Christian; Pedersen, Andreas; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2016-01-13

    The atom sets an ultimate scaling limit to Moore's law in the electronics industry. While electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling, similar to electronics, is only limited by the atom. More precisely, we introduce an electrically controlled plasmonic switch operating at the atomic scale. The switch allows for fast and reproducible switching by means of the relocation of an individual or, at most, a few atoms in a plasmonic cavity. Depending on the location of the atom either of two distinct plasmonic cavity resonance states are supported. Experimental results show reversible digital optical switching with an extinction ratio of 9.2 dB and operation at room temperature up to MHz with femtojoule (fJ) power consumption for a single switch operation. This demonstration of an integrated quantum device allowing to control photons at the atomic level opens intriguing perspectives for a fully integrated and highly scalable chip platform, a platform where optics, electronics, and memory may be controlled at the single-atom level.

  13. Greek Atomic Theory.

    Science.gov (United States)

    Roller, Duane H. D.

    1981-01-01

    Focusing on history of physics, which began about 600 B.C. with the Ionian Greeks and reaching full development within three centuries, suggests that the creation of the concept of the atom is understandable within the context of Greek physical theory; so is the rejection of the atomic theory by the Greek physicists. (Author/SK)

  14. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip

    2007-01-01

    Explores the atoms that govern chemical processes. This book shows how the interactions between simple substances such as salt and water are crucial to life on Earth and how those interactions are predestined by the atoms that make up the molecules.

  15. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  16. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  17. Supergranular Parameters

    Science.gov (United States)

    Udayashankar, Paniveni

    2016-07-01

    I study the complexity of supergranular cells using intensity patterns from Kodaikanal solar observatory. The chaotic and turbulent aspect of the solar supergranulation can be studied by examining the interrelationships amongst the parameters characterizing supergranular cells namely size, horizontal flow field, lifetime and physical dimensions of the cells and the fractal dimension deduced from the size data. The findings are supportive of Kolmogorov's theory of turbulence. The Data consists of visually identified supergranular cells, from which a fractal dimension 'D' for supergranulation is obtained according to the relation P α AD/2 where 'A' is the area and 'P' is the perimeter of the supergranular cells. I find a fractal dimension close to about 1.3 which is consistent with that for isobars and suggests a possible turbulent origin. The cell circularity shows a dependence on the perimeter with a peak around (1.1-1.2) x 105 m. The findings are supportive of Kolmogorov's theory of turbulence.

  18. Nonlinear control of chaotic walking of atoms in an optical lattice

    OpenAIRE

    Yu, Argonov V.; Prants, S.V.

    2007-01-01

    Centre-of-mass atomic motion in an optical lattice near the resonance is shown to be a chaotic walking due to the interplay between coherent internal atomic dynamics and spontaneous emission. Statistical properties of chaotic atomic motion can be controlled by the single parameter, the detuning between the atomic transition frequency and the laser frequency. We derive a Fokker-Planck equation in the energetic space to describe the atomic transport near the resonance and demonstrate numericall...

  19. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

    This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...

  20. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski

    2014-05-01

    Full Text Available The atoms of a regular language are non-empty intersections of complemented and uncomplemented quotients of the language. Tight upper bounds on the number of atoms of a language and on the quotient complexities of atoms are known. We introduce a new class of regular languages, called the maximally atomic languages, consisting of all languages meeting these bounds. We prove the following result: If L is a regular language of quotient complexity n and G is the subgroup of permutations in the transition semigroup T of the minimal DFA of L, then L is maximally atomic if and only if G is transitive on k-subsets of 1,...,n for 0 <= k <= n and T contains a transformation of rank n-1.

  1. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques

    2015-01-01

    This book gives an overview of atomic diffusion, a fundamental physical process, as applied to all types of stars, from the main sequence to neutron stars. The superficial abundances of stars as well as their evolution can be significantly affected. The authors show where atomic diffusion plays an essential role and how it can be implemented in modelling.  In Part I, the authors describe the tools that are required to include atomic diffusion in models of stellar interiors and atmospheres. An important role is played by the gradient of partial radiative pressure, or radiative acceleration, which is usually neglected in stellar evolution. In Part II, the authors systematically review the contribution of atomic diffusion to each evolutionary step. The dominant effects of atomic diffusion are accompanied by more subtle effects on a large number of structural properties throughout evolution. One of the goals of this book is to provide the means for the astrophysicist or graduate student to evaluate the importanc...

  2. Atomic structure of a stable high-index Ge surface: G2(103)-(4x1)

    DEFF Research Database (Denmark)

    Seehofer, L.; Bunk, O.; Falkenberg, G.

    1997-01-01

    Based on scanning tunneling microscopy and surface X-ray diffraction, we propose a complex structural model for the Ge(103)-(4 x 1) reconstruction. Each unit cell contains two (103) double steps, which gives rise to the formation of stripes of Ge atoms oriented in the [] direction....... The stripes and the spaces between them are covered with threefold-coordinated Ge adatoms. Charge is transferred from the bulk-like edge atoms of the double steps to the adatoms. The formation of the reconstruction can be explained in terms of stress relief, charge transfer, and minimization of the dangling...

  3. Positronium-alkali atom scattering at medium energies

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Ajoy [Laban Hrad Vidyapith, AD-369, Salt Lake City, Kolkata 700 064 (India); Basu, Arindam [Department of Physics, Maheshtala College, Chandannagar, South 24 Parganas, Kolkata 700 140 (India); Sarkar, Nirmal K [Sodepur Chandrachur Vidyapith, 1, Desh Bandhu Nagar, Sodepur, 743 174 (India); Sinha, Prabal K [Department of Physics, Bangabasi College, 19, Raj Kumar Chakravorty Sarani, Kolkata 700 009 (India)

    2004-04-28

    We investigate the scattering of orthopositronium (o-Ps) atom off different atomic alkali targets (Na to Cs) at low and medium energies (up to 120 eV). Projectile-elastic and target-elastic close-coupling models have been employed to investigate the systems in addition to the static-exchange model. Elastic, excitation and total cross sections have been reported for all four systems. The magnitude of the alkali excitation cross section increases with increasing atomic number of the target atom while the position of the peak value shifts towards lower incident energies. The magnitudes of the Ps excitation and ionization cross sections increase steadily with atomic number with no change in the peak position. The reported results show regular behaviour with increasing atomic number of the target atom. Scattering parameters for the Ps-Rb and Ps-Cs systems are being reported for the first time.

  4. Simultaneous negative permittivity and permeability in a coherent atomic vapour

    Institute of Scientific and Technical Information of China (English)

    Shen Jian-Qi

    2007-01-01

    A new quantum optical mechanism to realize simultaneously negative electric permittivity and magnetic permeability is suggested. In order to obtain a negative permeability, we choose a proper atomic configuration that can dramatically enhance the contribution of the magnetic-dipole allowed transition via the atomic phase coherence. It is shown that the atomic system chosen with proper optical parameters can give rise to striking electromagnetic responses (leading to a negative refractive index) and that the atomic vapour becomes a left-handed medium in an optical frequency band. Differing from the previous schemes of artificial composite metamaterials (based on classical electromagnetic theory) to achieve the left-handed materials, which consist of anisotropic millimetre-scale composite structure units, the left-handed atomic vapour presented here is isotropic and homogeneous at the atomic-scale level. Such an advantage may be valuable in realizing the superlens (and hence perfect image) with left-handed atomic vapour.

  5. Optical Frequency Comb Spectroscopy of Rare Earth Atoms

    Science.gov (United States)

    Swiatlowski, Jerlyn; Palm, Christopher; Joshi, Trinity; Montcrieffe, Caitlin; Jackson Kimball, Derek

    2013-05-01

    We discuss progress in our experimental program to employ optical-frequency-comb-based spectroscopy to understand the complex spectra of rare-earth atoms. We plan to carry out systematic measurements of atomic transitions in rare-earth atoms to elucidate the energy level structure and term assignment and determine presently unknown atomic state parameters. This spectroscopic information is important in view of the increasing interest in rare-earth atoms for atomic frequency standards, in astrophysical investigations of chemically peculiar stars, and in tests of fundamental physics (tests of parity and time-reversal invariance, searches for time variation of fundamental constants, etc.). We are presently studying the use of hollow cathode lamps as atomic sources for two-photon frequency comb spectroscopy. Supported by the National Science Foundation under grant PHY-0958749.

  6. The periodic death and anabiosis of the entanglement between two moving atoms

    Institute of Scientific and Technical Information of China (English)

    Deng Xiao-Juan; Fang Mao-Fa

    2008-01-01

    This paper investigates the periodic death and anabiosis of the entanglement between two moving atoms interacting with the mode field,and discusses the influences of the atomic motion and the parameter of the mode field.The results show that,the atomic motion leads to the periodic death and anabiosis of the entanglement between two moving atoms,the time of the death and the amplitude of the anabiosis of the entanglement between two moving atoms depend on the initial states of two moving atoms and the parameter of the mode field.

  7. Spray deposition for making large size billet with swing atomizer

    Institute of Scientific and Technical Information of China (English)

    LI Jian-ping; LIU Tao; TANG Qing-yun; HAN Lei; ZHONG Jue

    2008-01-01

    The movement mode of the atomizer is a very important parameter during spray deposition process, which has direct influence on the size and surface texture of the billets. To resolve the problem of manufacturing large size billets, a method of spray deposition by the atomizer with off-center swing was put forward. The atomizer was driven by the alternating current servomotor to swing within 7° at varying speed. The influence of the atomizer parameters, such as translation of the atomizer, swing angle of the atomizer, substrate falling speed and spraying pressure, on the spray deposition was studied. The optimized parameters of the spray deposition process were obtained. The results show that the large size billets with uniform surface quality can be made through adjusting swing frequency and angle of the atomizer, offset distance of the atomizer and inclined angle of the substrate; the valid spray area will decrease and the dimension of top surface will reduce when pressure is less than 0.4 MPa within certain spray distance; meantime, the moving time and cooling time of the droplets are extended, which will lead to loose structure and bad densification. When the pressure, the swing angle and the eccentric offset of the atomization equal 0.5MPa, 7° and 60mm,respectively, large size billets with fine texture and diameter of 500mm can be produced.

  8. Spreadsheet-Based Program for Simulating Atomic Emission Spectra

    Science.gov (United States)

    Flannigan, David J.

    2014-01-01

    A simple Excel spreadsheet-based program for simulating atomic emission spectra from the properties of neutral atoms (e.g., energies and statistical weights of the electronic states, electronic partition functions, transition probabilities, etc.) is described. The contents of the spreadsheet (i.e., input parameters, formulas for calculating…

  9. Flame-in-gas-shield and miniature diffusion flame hydride atomizers for atomic fluorescence spectrometry: optimization and comparison

    Energy Technology Data Exchange (ETDEWEB)

    Marschner, Karel, E-mail: karel.marschner@biomed.cas.cz [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic); Charles University in Prague, Faculty of Science, Department of Analytical Chemistry, Albertov 8, 128 43 Prague (Czech Republic); Musil, Stanislav; Dědina, Jiří [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic)

    2015-07-01

    A detailed optimization of relevant experimental parameters of two hydride atomizers for atomic fluorescence spectrometry: flame-in-gas-shield atomizer with a two-channel shielding unit and a standard atomizer for atomic fluorescence spectrometry, miniature diffusion flame, was performed. Arsine, generated by the reaction with NaBH{sub 4} in a flow injection arrangement, was chosen as the model hydride. Analytical characteristics of both the atomizers (sensitivity, noise, limits of detection) were compared. Under optimum conditions sensitivity obtained with flame-in-gas-shield atomizer was approximately twice higher than with miniature diffusion flame. The additional advantage of flame-in-gas-shield atomizer is significantly lower flame emission resulting in a better signal to noise ratio. The resulting arsenic limits of detection for miniature diffusion flame and flame-in-gas-shield atomizer were 3.8 ng l{sup −1} and 1.0 ng l{sup −1}, respectively. - Highlights: • We optimized and compared two hydride atomizers for atomic fluorescence spectrometry. • Miniature diffusion flame and flame-in-gas-shield atomizer were optimized. • The limit of detection for arsenic was 1.0 ng l{sup −1}.

  10. 78 FR 58571 - Maine Yankee Atomic Power Company, Connecticut Yankee Atomic Power Company, and The Yankee Atomic...

    Science.gov (United States)

    2013-09-24

    ... Atomic Power Company, Connecticut Yankee Atomic Power Company, and The Yankee Atomic Electric Company... Power Company (Maine Yankee), Connecticut Yankee Atomic Power Company (Connecticut Yankee), and the Yankee Atomic Electric Company (Yankee Atomic) (together, ``licensees'' or ``the Yankee Companies'')...

  11. Limits in detecting an individual dopant atom embedded in a crystal.

    Science.gov (United States)

    Mittal, Anudha; Mkhoyan, K Andre

    2011-07-01

    Annular dark field scanning transmission electron microscope (ADF-STEM) images allow detection of individual dopant atoms located on the surface of or inside a crystal. Contrast between intensities of an atomic column containing a dopant atom and a pure atomic column in ADF-STEM image depends strongly on specimen parameters and microscope conditions. Analysis of multislice-based simulations of ADF-STEM images of crystals doped with one substitutional dopant atom for a wide range of crystal thicknesses, types and locations of dopant atom inside the crystal, and crystals with different atoms reveal some interesting trends and non-intuitive behaviours in visibility of the dopant atom. The results provide practical guidelines to determine the optimal microscope and specimen conditions to detect a dopant atom in experiment, obtain information about the 3-d location of a dopant atom, and recognize cases where detecting a single dopant atom is not possible. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Linear atomic quantum coupler

    CERN Document Server

    El-Orany, Faisal A A

    2009-01-01

    In this paper, we develop the notion of the linear atomic quantum coupler. This device consists of two modes propagating into two waveguides, each of them includes a localized and/or a trapped atom. These waveguides are placed close enough to allow exchanging energy between them via evanescent waves. Each mode interacts with the atom in the same waveguide in the standard way, i.e. as the Jaynes-Cummings model (JCM), and with the atom-mode in the second waveguide via evanescent wave. We present the Hamiltonian for the system and deduce the exact form for the wavefunction. We investigate the atomic inversions and the second-order correlation function. In contrast to the conventional linear coupler, the atomic quantum coupler is able to generate nonclassical effects. The atomic inversions can exhibit long revival-collapse phenomenon as well as subsidiary revivals based on the competition among the switching mechanisms in the system. Finally, under certain conditions, the system can yield the results of the two-m...

  13. Atomic Structure Theory Lectures on Atomic Physics

    CERN Document Server

    Johnson, Walter R

    2007-01-01

    Atomic Structure Theory is a textbook for students with a background in quantum mechanics. The text is designed to give hands-on experience with atomic structure calculations. Material covered includes angular momentum methods, the central field Schrödinger and Dirac equations, Hartree-Fock and Dirac-Hartree-Fock equations, multiplet structure, hyperfine structure, the isotope shift, dipole and multipole transitions, basic many-body perturbation theory, configuration interaction, and correlation corrections to matrix elements. Numerical methods for solving the Schrödinger and Dirac eigenvalue problems and the (Dirac)-Hartree-Fock equations are given as well. B-spline basis sets are used to carry out sums arising in higher-order many-body calculations. Illustrative problems are provided, together with solutions. FORTRAN programs implementing the numerical methods in the text are included.

  14. Implementing quantum electrodynamics with ultracold atomic systems

    Science.gov (United States)

    Kasper, V.; Hebenstreit, F.; Jendrzejewski, F.; Oberthaler, M. K.; Berges, J.

    2017-02-01

    We discuss the experimental engineering of model systems for the description of quantum electrodynamics (QED) in one spatial dimension via a mixture of bosonic 23Na and fermionic 6Li atoms. The local gauge symmetry is realized in an optical superlattice, using heteronuclear boson–fermion spin-changing interactions which preserve the total spin in every local collision. We consider a large number of bosons residing in the coherent state of a Bose–Einstein condensate on each link between the fermion lattice sites, such that the behavior of lattice QED in the continuum limit can be recovered. The discussion about the range of possible experimental parameters builds, in particular, upon experiences with related setups of fermions interacting with coherent samples of bosonic atoms. We determine the atomic system’s parameters required for the description of fundamental QED processes, such as Schwinger pair production and string breaking. This is achieved by benchmark calculations of the atomic system and of QED itself using functional integral techniques. Our results demonstrate that the dynamics of one-dimensional QED may be realized with ultracold atoms using state-of-the-art experimental resources. The experimental setup proposed may provide a unique access to longstanding open questions for which classical computational methods are no longer applicable.

  15. Inside the Hydrogen Atom

    CERN Document Server

    Nowakowski, M; Fierro, D Bedoya; Manjarres, A D Bermudez

    2016-01-01

    We apply the non-linear Euler-Heisenberg theory to calculate the electric field inside the hydrogen atom. We will demonstrate that the electric field calculated in the Euler-Heisenberg theory can be much smaller than the corresponding field emerging from the Maxwellian theory. In the hydrogen atom this happens only at very small distances. This effect reduces the large electric field inside the hydrogen atom calculated from the electromagnetic form-factors via the Maxwell equations. The energy content of the field is below the pair production threshold.

  16. Atom trap trace analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Z.-T.; Bailey, K.; Chen, C.-Y.; Du, X.; Li, Y.-M.; O' Connor, T. P.; Young, L.

    2000-05-25

    A new method of ultrasensitive trace-isotope analysis has been developed based upon the technique of laser manipulation of neutral atoms. It has been used to count individual {sup 85}Kr and {sup 81}Kr atoms present in a natural krypton sample with isotopic abundances in the range of 10{sup {minus}11} and 10{sup {minus}13}, respectively. The atom counts are free of contamination from other isotopes, elements,or molecules. The method is applicable to other trace-isotopes that can be efficiently captured with a magneto-optical trap, and has a broad range of potential applications.

  17. Atom probe tomography today

    Directory of Open Access Journals (Sweden)

    Alfred Cerezo

    2007-12-01

    Full Text Available This review aims to describe and illustrate the advances in the application of atom probe tomography that have been made possible by recent developments, particularly in specimen preparation techniques (using dual-beam focused-ion beam instruments but also of the more routine use of laser pulsing. The combination of these two developments now permits atomic-scale investigation of site-specific regions within engineering alloys (e.g. at grain boundaries and in the vicinity of cracks and also the atomic-level characterization of interfaces in multilayers, oxide films, and semiconductor materials and devices.

  18. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W

    1984-01-01

    The fourth edition of Physics of the Atom is designed to meet the modern need for a better understanding of the atomic age. It is an introduction suitable for students with a background in university physics and mathematical competence at the level of calculus. This book is designed to be an extension of the introductory university physics course into the realm of atomic physics. It should give students a proficiency in this field comparable to their proficiency in mechanics, heat, sound, light, and electricity.

  19. Rydberg atoms in astrophysics

    CERN Document Server

    Gnedin, Yu N; Ignjatovic, Lj M; Sakan, N M; Sreckovic, V A; Zakharov, M Yu; Bezuglov, N N; Klycharev, A N; 10.1016/j.newar.2009.07.003

    2012-01-01

    Elementary processes in astrophysical phenomena traditionally attract researchers attention. At first this can be attributed to a group of hemi-ionization processes in Rydberg atom collisions with ground state parent atoms. This processes might be studied as a prototype of the elementary process of the radiation energy transformation into electrical one. The studies of nonlinear mechanics have shown that so called regime of dynamic chaos should be considered as typical, rather than exceptional situation in Rydberg atoms collision. From comparison of theory with experimental results it follows that a such kind of stochastic dynamic processes, occurred during the single collision, may be observed.

  20. Atomic and molecular supernovae

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W.

    1997-12-01

    Atomic and molecular physics of supernovae is discussed with an emphasis on the importance of detailed treatments of the critical atomic and molecular processes with the best available atomic and molecular data. The observations of molecules in SN 1987A are interpreted through a combination of spectral and chemical modelings, leading to strong constraints on the mixing and nucleosynthesis of the supernova. The non-equilibrium chemistry is used to argue that carbon dust can form in the oxygen-rich clumps where the efficient molecular cooling makes the nucleation of dust grains possible. For Type Ia supernovae, the analyses of their nebular spectra lead to strong constraints on the supernova explosion models.

  1. EINSTEIN, SCHROEDINGER, AND ATOM

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2014-03-01

    Full Text Available In this paper, we consider gravitation theory in multidimensional space. The model of the metric satisfying the basic requirements of quantum theory is proposed. It is shown that gravitational waves are described by the Liouville equation and the Schrodinger equation as well. The solutions of the Einstein equations describing the stationary states of arbitrary quantum and classical systems with central symmetry have been obtained. Einstein’s atom model has been developed, and proved that atoms and atomic nuclei can be represented as standing gravitational waves

  2. Single-atom nanoelectronics

    CERN Document Server

    Prati, Enrico

    2013-01-01

    Single-Atom Nanoelectronics covers the fabrication of single-atom devices and related technology, as well as the relevant electronic equipment and the intriguing new phenomena related to single-atom and single-electron effects in quantum devices. It also covers the alternative approaches related to both silicon- and carbon-based technologies, also from the point of view of large-scale industrial production. The publication provides a comprehensive picture of the state of the art at the cutting edge and constitutes a milestone in the emerging field of beyond-CMOS technology. Although there are

  3. Detection of J-coupling using atomic magnetometer

    Science.gov (United States)

    Ledbetter, Micah P.; Crawford, Charles W.; Wemmer, David E.; Pines, Alexander; Knappe, Svenja; Kitching, John; Budker, Dmitry

    2015-09-22

    An embodiment of a method of detecting a J-coupling includes providing a polarized analyte adjacent to a vapor cell of an atomic magnetometer; and measuring one or more J-coupling parameters using the atomic magnetometer. According to an embodiment, measuring the one or more J-coupling parameters includes detecting a magnetic field created by the polarized analyte as the magnetic field evolves under a J-coupling interaction.

  4. History of early atomic clocks

    Energy Technology Data Exchange (ETDEWEB)

    Ramsey, N.F. [Harvard Univ., Cambridge, MA (United States). Lyman Lab. of Physics

    2005-06-01

    This review of the history of early atomic clocks includes early atomic beam magnetic resonance, methods of separated and successive oscillatory fields, microwave absorption, optical pumping and atomic masers. (author)

  5. Neutrino Spectroscopy with Atoms and Molecules

    CERN Document Server

    Fukumi, Atsushi; Miyamoto, Yuki; Nakajima, Kyo; Nakano, Itsuo; Nanjo, Hajime; Ohae, Chiaki; Sasao, Noboru; Tanaka, Minoru; Taniguchi, Takashi; Uetake, Satoshi; Wakabayashi, Tomonari; Yamaguchi, Takuya; Yoshimi, Akihiro; Yoshimura, Motohiko

    2012-01-01

    We give a comprehensive account of our proposed experimental method of using atoms or molecules in order to measure parameters of neutrinos still undetermined; the absolute mass scale, the mass hierarchy pattern (normal or inverted), the neutrino mass type (Majorana or Dirac), and the CP violating phases including Majorana phases. There are advantages of atomic targets, due to the closeness of available atomic energies to anticipated neutrino masses, over nuclear target experiments. Disadvantage of using atomic targets, the smallness of rates, is overcome by the macro-coherent amplification mechanism. The atomic or molecular process we use is a cooperative deexcitation of a collective body of atoms in a metastable level |e> emitting a neutrino pair and a photon; |e> -> |g> + gamma + nu_i nu_j where nu_i's are neutrino mass eigenstates. The macro-coherence is developed by trigger laser irradiation. We discuss aspects of the macro-coherence development by setting up the master equation for the target quantum st...

  6. A slow gravity compensated atom laser

    DEFF Research Database (Denmark)

    Kleine Büning, G.; Will, J.; Ertmer, W.

    2010-01-01

    We report on a slow guided atom laser beam outcoupled from a Bose–Einstein condensate of 87Rb atoms in a hybrid trap. The acceleration of the atom laser beam can be controlled by compensating the gravitational acceleration and we reach residual accelerations as low as 0.0027 g. The outcoupling...... mechanism allows for the production of a constant flux of 4.5×106 atoms per second and due to transverse guiding we obtain an upper limit for the mean beam width of 4.6 μm. The transverse velocity spread is only 0.2 mm/s and thus an upper limit for the beam quality parameter is M 2=2.5. We demonstrate...... the potential of the long interrogation times available with this atom laser beam by measuring the trap frequency in a single measurement. The small beam width together with the long evolution and interrogation time makes this atom laser beam a promising tool for continuous interferometric measurements....

  7. Atomical Grothendieck categories

    Directory of Open Access Journals (Sweden)

    C. Năstăsescu

    2003-01-01

    Full Text Available Motivated by the study of Gabriel dimension of a Grothendieck category, we introduce the concept of atomical Grothendieck category, which has only two localizing subcategories, and we give a classification of this type of Grothendieck categories.

  8. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1998-01-01

    This volume continues the series'' cutting-edge reviews on developments in this field. Since its invention in the 1920s, electrostatic precipitation has been extensively used in industrial hygiene to remove dust and particulate matter from gases before entering the atmosphere. This combination of electrostatic precipitation is reported upon in the first chapter. Following this, chapter two reviews recent advances in the area of chemical modification in electrothermal atomization. Chapter three consists of a review which deal with advances and uses of electrothermal atomization atomic absorption spectrometry. Flow injection atomic spectroscopy has developed rapidly in recent years and after a general introduction, various aspects of this technique are looked at in chapter four. Finally, in chapter five the use of various spectrometric techniques for the determination of mercury are described.

  9. Atom chip gravimeter

    Science.gov (United States)

    Schubert, Christian; Abend, Sven; Gebbe, Martina; Gersemann, Matthias; Ahlers, Holger; Müntinga, Hauke; Matthias, Jonas; Sahelgozin, Maral; Herr, Waldemar; Lämmerzahl, Claus; Ertmer, Wolfgang; Rasel, Ernst

    2016-04-01

    Atom interferometry has developed into a tool for measuring rotations [1], accelerations [2], and testing fundamental physics [3]. Gravimeters based on laser cooled atoms demonstrated residual uncertainties of few microgal [2,4] and were simplified for field applications [5]. Atomic gravimeters rely on the interference of matter waves which are coherently manipulated by laser light fields. The latter can be interpreted as rulers to which the position of the atoms is compared. At three points in time separated by a free evolution, the light fields are pulsed onto the atoms. First, a coherent superposition of two momentum states is produced, then the momentum is inverted, and finally the two trajectories are recombined. Depending on the acceleration the atoms experienced, the number of atoms detected in the output ports will change. Consequently, the acceleration can be determined from the output signal. The laser cooled atoms with microkelvin temperatures used in state-of-the-art gravimeters impose limits on the accuracy [4]. Therefore, ultra-cold atoms generated by Bose-Einstein condensation and delta-kick collimation [6,7] are expected to be the key for further improvements. These sources suffered from a low flux implying an incompatible noise floor, but a competitive performance was demonstrated recently with atom chips [8]. In the compact and robust setup constructed for operation in the drop tower [6] we demonstrated all steps necessary for an atom chip gravimeter with Bose-Einstein condensates in a ground based operation. We will discuss the principle of operation, the current performance, and the perspectives to supersede the state of the art. The authors thank the QUANTUS cooperation for contributions to the drop tower project in the earlier stages. This work is supported by the German Space Agency (DLR) with funds provided by the Federal Ministry for Economic Affairs and Energy (BMWi) due to an enactment of the German Bundestag under grant numbers DLR 50WM

  10. Zeeman atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hadeishi, T.; McLaughlin, R.

    1978-08-01

    The design and development of a Zeeman atomic absorption spectrometer for trace element analysis are described. An instruction manual is included which details the operation, adjustment, and maintenance. Specifications and circuit diagrams are given. (WHK)

  11. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E

    2006-01-01

    The study of atomic physics propelled us into the quantum age in the early twentieth century and carried us into the twenty-first century with a wealth of new and, in some cases, unexplained phenomena. Topics in Atomic Physics provides a foundation for students to begin research in modern atomic physics. It can also serve as a reference because it contains material that is not easily located in other sources. A distinguishing feature is the thorough exposition of the quantum mechanical hydrogen atom using both the traditional formulation and an alternative treatment not usually found in textbooks. The alternative treatment exploits the preeminent nature of the pure Coulomb potential and places the Lenz vector operator on an equal footing with other operators corresponding to classically conserved quantities. A number of difficult to find proofs and derivations are included as is development of operator formalism that permits facile solution of the Stark effect in hydrogen. Discussion of the classical hydrogen...

  12. Atomic & Molecular Interactions

    Energy Technology Data Exchange (ETDEWEB)

    None

    2002-07-12

    The Gordon Research Conference (GRC) on Atomic & Molecular Interactions was held at Roger Williams University, Bristol, RI. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  13. Atomic Interferometry Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Vertical cavity surface emitting lasers (VCSELs) is a new technology which can be used for developing high performance laser components for atom-based sensors...

  14. Influence of spray nozzle shape upon atomization process

    Science.gov (United States)

    Beniuga, Marius; Mihai, Ioan

    2016-12-01

    The atomization process is affected by a number of operating parameters (pressure, viscosity, temperature, etc.) [1-6] and the adopted constructive solution. In this article are compared parameters of atomized liquid jet with two nozzles that have different lifespan, one being new and the other one out. The last statement shows that the second nozzle was monitored as time of operation on the one hand and on the other hand, two dimensional nozzles have been analyzed using laser profilometry. To compare the experimental parameters was carried an experimental stand to change the period and pulse width in injecting liquid through two nozzles. Atomized liquid jets were photographed and filmed quickly. Images obtained were analyzed using a Matlab code that allowed to determine a number of parameters that characterize an atomized jet. Knowing the conditions and operating parameters of atomized jet, will establish a new wastewater nozzle block of parameter values that can be implemented in controller that provides dosing of the liquid injected. Experimental measurements to observe the myriad forms of atomized droplets to a wide range of operating conditions, realized using the electronic control module.

  15. Atomic Collapse in Graphene: Lost of Unitarity

    CERN Document Server

    Valenzuela, David; Loewe, Marcelo; Raya, Alfredo

    2016-01-01

    We explore the problem of atomic collapse in graphene by monopole impurities, both electric and magnetic, within the context of supersymmetric quantum mechanics. For electric impurities, upon factorizing the radial Dirac Hamiltonian and identifying the supercharges, existence of a critical charge that makes the ground state {\\em fall-into-the-center} translates into lost of unitarity for the corresponding Hamiltonian. For the problem of magnetic monopole impurities, preservation of unitarity for all values of the parameters of the corresponding potential translates into the absence of atomic collapse in this case.

  16. Atom probe tomography today

    OpenAIRE

    Alfred Cerezo; Peter H. Clifton; Mark J. Galtrey; Humphreys, Colin J.; Kelly, Thomas. F.; David J. Larson; Sergio Lozano-Perez; Marquis, Emmanuelle A.; Oliver, Rachel A.; Gang Sha; Keith Thompson; Mathijs Zandbergen; Roger L. Alvis

    2007-01-01

    This review aims to describe and illustrate the advances in the application of atom probe tomography that have been made possible by recent developments, particularly in specimen preparation techniques (using dual-beam focused-ion beam instruments) but also of the more routine use of laser pulsing. The combination of these two developments now permits atomic-scale investigation of site-specific regions within engineering alloys (e.g. at grain boundaries and in the vicinity of cracks) and also...

  17. Metal atomization spray nozzle

    Science.gov (United States)

    Huxford, Theodore J.

    1993-01-01

    A spray nozzle for a magnetohydrodynamic atomization apparatus has a feed passage for molten metal and a pair of spray electrodes mounted in the feed passage. The electrodes, diverging surfaces which define a nozzle throat and diverge at an acute angle from the throat. Current passes through molten metal when fed through the throat which creates the Lorentz force necessary to provide atomization of the molten metal.

  18. Optical atomic magnetometer

    Science.gov (United States)

    Budker, Dmitry; Higbie, James; Corsini, Eric P

    2013-11-19

    An optical atomic magnetometers is provided operating on the principles of nonlinear magneto-optical rotation. An atomic vapor is optically pumped using linearly polarized modulated light. The vapor is then probed using a non-modulated linearly polarized light beam. The resulting modulation in polarization angle of the probe light is detected and used in a feedback loop to induce self-oscillation at the resonant frequency.

  19. Atoms, molecules & elements

    CERN Document Server

    Graybill, George

    2007-01-01

    Young scientists will be thrilled to explore the invisible world of atoms, molecules and elements. Our resource provides ready-to-use information and activities for remedial students using simplified language and vocabulary. Students will label each part of the atom, learn what compounds are, and explore the patterns in the periodic table of elements to find calcium (Ca), chlorine (Cl), and helium (He) through hands-on activities.

  20. Cavity enhanced atomic magnetometry

    OpenAIRE

    Herbert Crepaz; Li Yuan Ley; Rainer Dumke

    2015-01-01

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage...

  1. Magnetically Guiding Atoms with Current-Carrying Conductors

    Institute of Scientific and Technical Information of China (English)

    刘南春; 高伟建; 印建平

    2002-01-01

    We propose a novel magnetic guide for cold neutral atoms using some current-carrying conductors. The spatial distributions of the magnetic fields from a V-shaped or U-shaped current-carrying conductor are calculated, and the relationship between the resulting magnetic field and the parameters of the current-carrying conductors is analysed in detail. The result shows that these current-carrying conductors can be used to realize a single or a controllable double magnetic guide of cold atoms in the weak-field-seeking state, and to construct various atom-optical elements, and even to realize a single-mode atomic waveguiding under certain conditions.

  2. Immersing carbon nano-tubes in cold atomic gases

    OpenAIRE

    2013-01-01

    We investigate the sympathetic relaxation of a free-standing, vibrating carbon nano-tube that is mounted on an atom chip and is immersed in a cloud of ultra-cold atoms. Gas atoms colliding with the nano-tube excite phonons via a Casimir-Polder potential. We use Fermi's Golden Rule to estimate the relaxation rates for relevant experimental parameters and develop a fully dynamic theory of relaxation for the multi-mode phononic field embedded in a thermal atomic reservoir. Based on currently ava...

  3. Generating topological optical flux lattices for ultracold atoms by modulated Raman and radio-frequency couplings

    Science.gov (United States)

    Yu, Jinlong; Xu, Zhi-Fang; You, Li

    2017-01-01

    We propose a scheme to dynamically generate optical flux lattices with nontrivial band topology using amplitude-modulated Raman lasers and radio-frequency (rf) magnetic fields. By tuning the strength of Raman and rf fields, three distinct phases are realized at unit filling for a unit cell. Respectively, these three phases correspond to normal insulator, topological Chern insulator, and semimetal. Nearly nondispersive bands are found to appear in the topological phase, which promises opportunities for investigating strongly correlated quantum states within a simple cold-atom setup. The validity of our proposal is confirmed by comparing the Floquet quasienergies from the evolution operator with the spectrum of the effective Hamiltonian.

  4. Heat and Mass Transfer during Hydrogen Generation in an Array of Fuel Bars of a BWR Using a Periodic Unit Cell

    Directory of Open Access Journals (Sweden)

    H. Romero-Paredes

    2012-01-01

    Full Text Available This paper presents, the numerical analysis of heat and mass transfer during hydrogen generation in an array of fuel cylinder bars, each coated with a cladding and a steam current flowing outside the cylinders. The analysis considers the fuel element without mitigation effects. The system consists of a representative periodic unit cell where the initial and boundary-value problems for heat and mass transfer were solved. In this unit cell, we considered that a fuel element is coated by a cladding with steam surrounding it as a coolant. The numerical simulations allow describing the evolution of the temperature and concentration profiles inside the nuclear reactor and could be used as a basis for hybrid upscaling simulations.

  5. Deriving static atomic multipoles from the electrostatic potential.

    Science.gov (United States)

    Kramer, Christian; Bereau, Tristan; Spinn, Alexander; Liedl, Klaus R; Gedeck, Peter; Meuwly, Markus

    2013-12-23

    The description of molecular systems using multipolar electrostatics calls for automated methods to fit the necessary parameters. In this paper, we describe an open-source software package that allows fitting atomic multipoles (MTPs) from the ab initio electrostatic potential by adequate atom typing and judicious assignment of the local axis system. By enabling the simultaneous fit of several molecules and/or conformations, the package addresses issues of parameter transferability and lack of sampling for buried atoms. We illustrate the method by studying a series of small alcohol molecules, as well as various conformations of protonated butylamine.

  6. Analysis of size correlations for microdroplets produced by ultrasonic atomization.

    Science.gov (United States)

    Dalmoro, Annalisa; Barba, Anna Angela; d'Amore, Matteo

    2013-01-01

    Microencapsulation techniques are widely applied in the field of pharmaceutical production to control drugs release in time and in physiological environments. Ultrasonic-assisted atomization is a new technique to produce microencapsulated systems by a mechanical approach. Interest in this technique is due to the advantages evidenceable (low level of mechanical stress in materials, reduced energy request, reduced apparatuses size) when comparing it to more conventional techniques. In this paper, the groundwork of atomization is introduced, the role of relevant parameters in ultrasonic atomization mechanism is discussed, and correlations to predict droplets size starting from process parameters and material properties are presented and tested.

  7. Analysis of Size Correlations for Microdroplets Produced by Ultrasonic Atomization

    Directory of Open Access Journals (Sweden)

    Annalisa Dalmoro

    2013-01-01

    Full Text Available Microencapsulation techniques are widely applied in the field of pharmaceutical production to control drugs release in time and in physiological environments. Ultrasonic-assisted atomization is a new technique to produce microencapsulated systems by a mechanical approach. Interest in this technique is due to the advantages evidenceable (low level of mechanical stress in materials, reduced energy request, reduced apparatuses size when comparing it to more conventional techniques. In this paper, the groundwork of atomization is introduced, the role of relevant parameters in ultrasonic atomization mechanism is discussed, and correlations to predict droplets size starting from process parameters and material properties are presented and tested.

  8. High-temperature superconductivity in single-unit-cell FeSe films on anatase TiO2(001)

    OpenAIRE

    Ding, Hao; Lv, Yan-Feng; Zhao, Kun; Wang, Wen-Lin; Wang, Lili; Song, Can-Li; Chen, Xi; Ma, Xu-Cun; Xue, Qi-Kun

    2016-01-01

    We report on the observation of high-temperature ($T_\\textrm{c}$) superconductivity and magnetic vortices in single-unit-cell FeSe films on anatase TiO$_2$(001) substrate by using scanning tunneling microscopy. A systematic study and engineering of interfacial properties has clarified the essential roles of substrate in realizing the high-$T_\\textrm{c}$ superconductivity, probably via interface-induced electron-phonon coupling enhancement and charge transfer. By visualizing and tuning the oxy...

  9. Atomic structure and electronic properties of the two-dimensional (Au ,Al )/Si (111 )2 ×2 compound

    Science.gov (United States)

    Gruznev, D. V.; Bondarenko, L. V.; Matetskiy, A. V.; Tupchaya, A. Y.; Chukurov, E. N.; Hsing, C. R.; Wei, C. M.; Eremeev, S. V.; Zotov, A. V.; Saranin, A. A.

    2015-12-01

    A combination of scanning tunneling microscopy, angle-resolved photoelectron spectroscopy, ab initio random structure searching, and density functional theory electronic structure calculations was applied to elucidate the atomic arrangement and electron band structure of the (Au ,Al )/Si (111 )2 ×2 two-dimensional compound formed upon Al deposition onto the mixed 5 ×2 /√{3 }×√{3 } Au/Si(111) surface. It was found that the most stable 2 ×2 -(Au, Al) compound incorporates four Au atoms, three Al atoms, and two Si atoms per 2 ×2 unit cell. Its atomic arrangement can be visualized as an array of meandering Au atomic chains with two-thirds of the Al atoms incorporated into the chains and one-third of the Al atoms interconnecting the chains. The compound is metallic and its electronic properties can be controlled by appropriate Al dosing since energetic location of the bands varies by ˜0.5 eV during increasing of Al contents. The 2 ×2 -(Au, Al) structure appears to be lacking the C3 v symmetry typical for the hexagonal lattices. The consequence of the peculiar atomic structure of the two-dimensional alloy is spin splitting of the metallic states, which should lead to anisotropy of the current-induced in-plane spin polarization.

  10. Application of Three Unit-Cells Models on Mechanical Analysis of 3D Five-Directional and Full Five-Directional Braided Composites

    Science.gov (United States)

    Zhang, Chao; Xu, Xiwu; Chen, Kang

    2013-10-01

    As new lightweight textile material, 3D five directional and full five directional braided composites (5DBC and F5DBC) have tremendous potential applications in the aerospace industry. Before they are used in primary loading-bearing structures, a rational characterization of their mechanical properties is essential. In this paper, three types of unit-cell models corresponding to the interior, surface and corner regions of 5DBC and F5DBC are proposed. By introducing the reasonable boundary conditions, the effective stiffness properties of these two materials are predicted and compared by the three unit-cells models. The detailed mechanical response characteristic of the three unit-cell models is presented and analyzed in various loading cases. Numerical results show good agreement with experiment data, thus validates the proposed simulation method. Moreover, a parametric study is carried out for analyzing the effects of braiding angle and fiber volume fraction on the elastic properties of 5DBC and F5DBC. The obtained results can help designers to optimize the braided composite structures.

  11. A Negative Index Metamaterial-Inspired UWB Antenna with an Integration of Complementary SRR and CLS Unit Cells for Microwave Imaging Sensor Applications

    Directory of Open Access Journals (Sweden)

    Mohammad Tariqul Islam

    2015-05-01

    Full Text Available This paper presents a negative index metamaterial incorporated UWB antenna with an integration of complementary SRR (split-ring resonator and CLS (capacitive loaded strip unit cells for microwave imaging sensor applications. This metamaterial UWB antenna sensor consists of four unit cells along one axis, where each unit cell incorporates a complementary SRR and CLS pair. This integration enables a design layout that allows both a negative value of permittivity and a negative value of permeability simultaneous, resulting in a durable negative index to enhance the antenna sensor performance for microwave imaging sensor applications. The proposed MTM antenna sensor was designed and fabricated on an FR4 substrate having a thickness of 1.6 mm and a dielectric constant of 4.6. The electrical dimensions of this antenna sensor are 0.20 λ × 0.29 λ at a lower frequency of 3.1 GHz. This antenna sensor achieves a 131.5% bandwidth (VSWR < 2 covering the frequency bands from 3.1 GHz to more than 15 GHz with a maximum gain of 6.57 dBi. High fidelity factor and gain, smooth surface-current distribution and nearly omni-directional radiation patterns with low cross-polarization confirm that the proposed negative index UWB antenna is a promising entrant in the field of microwave imaging sensors.

  12. Effective potentials for atom-atom interaction at low temperatures

    OpenAIRE

    Gao, Bo

    2002-01-01

    We discuss the concept and design of effective atom-atom potentials that accurately describe any physical processes involving only states around the threshold. The existence of such potentials gives hope to a quantitative, and systematic, understanding of quantum few-atom and quantum many-atom systems at relatively low temperatures.

  13. Teleportation of Atomic States for Atoms in a Lambda Configuration

    CERN Document Server

    Guerra, E S

    2004-01-01

    In this article we discuss a scheme of teleportation of atomic states making use of three-level lambda atoms. The experimental realization proposed makes use of cavity QED involving the interaction of Rydberg atoms with a micromaser cavity prepared in a coherent state. We start presenting a scheme to prepare atomic EPR states involving two-level atoms via the interaction of these atoms with a cavity. In our scheme the cavity and some atoms play the role of auxiliary systems used to achieve the teleportation.

  14. Unified approach for retrieval of effective parameters of metamaterials

    DEFF Research Database (Denmark)

    Andryieuski, Andrei; Ha, Sangwoo; Sukhorukov, Andrey A.

    2011-01-01

    We propose the method of effective parameters retrieval based on the Bloch mode analysis of periodic metamaterials. We perform the surface and volume averaging of the electromagnetic field of the dominating (fundamental) Bloch mode to determine the Bloch and wave impedances, respectively. We show....../transmission based method and has no limitations on a metamaterial slab thickness. The method does not require averaging different fields' components at various surfaces or contours. The retrieval of both wave and material EPs is performed within a single computational cycle, after exporting fields on the unit cells...

  15. One Photon Can Simultaneously Excite Two or More Atoms

    Science.gov (United States)

    Garziano, Luigi; Macrı, Vincenzo; Stassi, Roberto; Di Stefano, Omar; Nori, Franco; Savasta, Salvatore

    2016-07-01

    We consider two separate atoms interacting with a single-mode optical or microwave resonator. When the frequency of the resonator field is twice the atomic transition frequency, we show that there exists a resonant coupling between one photon and two atoms, via intermediate virtual states connected by counterrotating processes. If the resonator is prepared in its one-photon state, the photon can be jointly absorbed by the two atoms in their ground state which will both reach their excited state with a probability close to one. Like ordinary quantum Rabi oscillations, this process is coherent and reversible, so that two atoms in their excited state will undergo a downward transition jointly emitting a single cavity photon. This joint absorption and emission process can also occur with three atoms. The parameters used to investigate this process correspond to experimentally demonstrated values in circuit quantum electrodynamics systems.

  16. Atomic Data Needs for X-ray Astronomy

    Science.gov (United States)

    Bautista, Manuel A. (Editor); Kallman, Timothy R. (Editor); Pradhan, Anil K. (Editor)

    2000-01-01

    This publication contains written versions of most of the invited talks presented at the workshop on "Atomic Data Needs for X-ray Astronomy," which was held at NASA's Goddard Space Flight Center on December 16-17, 1999. The workshop was divided into five major areas: Observational Spectroscopy, Theoretical Calculations of Atomic Data, Laboratory Measurements of Atomic Parameters, Spectra Modeling, and Atomic Databases. These proceedings are expected to be of interest to producers and users of atomic data. Moreover, the contributions presented here have been written in a way that can be used by a general audience of scientists and graduate students in X-ray astronomy, modelling, and in computational and experimental atomic physics.

  17. Atom interferometry in the presence of an external test mass

    CERN Document Server

    Dubetsky, B; Libby, S B; Berman, P R

    2016-01-01

    The influence of an external test mass on the phase of the signal of an atom interferometer is studied theoretically. Using traditional techniques in atom optics based on the density matrix equations in the Wigner representation, we are able to extract the various contributions to the phase of the signal associated with the classical motion of the atoms, the quantum correction to this motion resulting from atomic recoil that is produced when the atoms interact with Raman field pulses, and quantum corrections to the atomic motion that occur in the time between the Raman field pulses. By increasing the effective wave vector associated with the Raman field pulses using modified field parameters, we can increase the sensitivity of the signal to the point where the quantum corrections can be measured. The expressions that are derived can be evaluated numerically to isolate the contribution to the signal from an external test mass. The regions of validity of the exact and approximate expressions are determined.

  18. Analytic Solutions of Three-Level Dressed-Atom Model

    Institute of Scientific and Technical Information of China (English)

    WANG Zheng-Ling; YIN Jian-Ping

    2004-01-01

    On the basis of the dressed-atom model, the general analytic expressions for the eigenenergies, eigenstates and their optical potentials of the A-configuration three-level atom system are derived and analysed. From the calculation of dipole matrix element of different dressed states, we obtain the spontaneous-emission rates in the dressed-atom picture. We find that our general expressions of optical potentials for the three-level dressed atom can be reduced to the same as ones in previous references under the approximation of a small saturation parameter. We also analyse the dependences of the optical potentials of a three-level 85Rb atom on the laser detuning and the dependences of spontaneous-emission rates on the radial position in the dark hollow beam, and discuss the probability (population) evolutions of dressed-atomic eigenstates in three levels in the hollow beam.

  19. Self-organization of atoms coupled to a chiral reservoir

    CERN Document Server

    Eldredge, Zachary; Chang, Darrick; Gorshkov, Alexey V

    2016-01-01

    Tightly confined modes of light, as in optical nanofibers or photonic crystal waveguides, can lead to large optical coupling in atomic systems, which mediates long-range interactions between atoms. These one-dimensional systems can naturally possess couplings that are asymmetric between modes propagating in different directions. Strong long-range interaction among atoms via these modes can drive them to a self-organized periodic distribution. In this paper, we examine the self-organizing behavior of atoms in one dimension coupled to a chiral reservoir. We determine the solution to the equations of motion in different parameter regimes, relative to both the detuning of the pump laser that initializes the atomic dipole-dipole interactions and the degree of reservoir chirality. In addition, we calculate possible experimental signatures such as reflectivity from self-organized atoms and motional sidebands.

  20. One Photon Can Simultaneously Excite Two or More Atoms.

    Science.gov (United States)

    Garziano, Luigi; Macrì, Vincenzo; Stassi, Roberto; Di Stefano, Omar; Nori, Franco; Savasta, Salvatore

    2016-07-22

    We consider two separate atoms interacting with a single-mode optical or microwave resonator. When the frequency of the resonator field is twice the atomic transition frequency, we show that there exists a resonant coupling between one photon and two atoms, via intermediate virtual states connected by counterrotating processes. If the resonator is prepared in its one-photon state, the photon can be jointly absorbed by the two atoms in their ground state which will both reach their excited state with a probability close to one. Like ordinary quantum Rabi oscillations, this process is coherent and reversible, so that two atoms in their excited state will undergo a downward transition jointly emitting a single cavity photon. This joint absorption and emission process can also occur with three atoms. The parameters used to investigate this process correspond to experimentally demonstrated values in circuit quantum electrodynamics systems.

  1. Extracting Atoms on Demand with Lasers

    CERN Document Server

    Mohring, B; Haug, F; Morigi, G; Schleich, W P; Raizen, M G; Mohring, Bernd; Bienert, Marc; Haug, Florian; Morigi, Giovanna; Schleich, Wolfgang P.; Raizen, Mark G.

    2004-01-01

    We propose a scheme that allows to coherently extract cold atoms from a reservoir in a deterministic way. The transfer is achieved by means of radiation pulses coupling two atomic states which are object to different trapping conditions. A particular realization is proposed, where one state has zero magnetic moment and is confined by a dipole trap, whereas the other state with non-vanishing magnetic moment is confined by a steep microtrap potential. We show that in this setup a predetermined number of atoms can be transferred from a reservoir, a Bose-Einstein condensate, into the collective quantum state of the steep trap with high efficiency in the parameter regime of present experiments.

  2. Coherent Dark Resonances in Atomic Barium

    CERN Document Server

    Dammalapati, U; Jungmann, K; Willmann, L

    2007-01-01

    The observation of dark-resonances in the two-electron atom barium and their influence on optical cooling is reported. In heavy alkali earth atoms, i.e. barium or radium, optical cooling can be achieved using n^1S_0-n^1P_1 transitions and optical repumping from the low lying n^1D_2 and n^3D_{1,2} states to which the atoms decay with a high branching ratio. The cooling and repumping transition have a common upper state. This leads to dark resonances and hence make optical cooling less inefficient. The experimental observations can be accurately modelled by the optical Bloch equations. Comparison with experimental results allows us to extract relevant parameters for effective laser cooling of barium.

  3. Spontaneous spherical symmetry breaking in atomic confinement

    Science.gov (United States)

    Sveshnikov, Konstantin; Tolokonnikov, Andrey

    2017-07-01

    The effect of spontaneous breaking of initial SO(3) symmetry is shown to be possible for an H-like atom in the ground state, when it is confined in a spherical box under general boundary conditions of "not going out" through the box surface (i.e. third kind or Robin's ones), for a wide range of physically reasonable values of system parameters. The most novel and nontrivial result, which has not been reported previously, is that such an effect takes place not only for attractive, but also for repulsive interactions of atomic electrons with the cavity environment. Moreover, in the limit of a large box size R ≫ aB the regime of an atom, soaring over a plane with boundary condition of "not going out", is reproduced, rather than a spherically symmetric configuration, which would be expected on the basis of the initial SO(3) symmetry of the problem.

  4. Universal bosonic tetramers of dimer-atom-atom structure

    OpenAIRE

    Deltuva, A.

    2012-01-01

    Unstable four-boson states having an approximate dimer-atom-atom structure are studied using momentum-space integral equations for the four-particle transition operators. For a given Efimov trimer the universal properties of the lowest associated tetramer are determined. The impact of this tetramer on the atom-trimer and dimer-dimer collisions is analyzed. The reliability of the three-body dimer-atom-atom model is studied.

  5. Single-atom spintronics

    Institute of Scientific and Technical Information of China (English)

    Susan Z. HUA; Matthew R. SULLIVAN; Jason N. ARMSTRONG

    2006-01-01

    Recent work on magnetic quantum point contacts (QPCs) was discussed. Complete magnetoresistance loops across Co QPCs as small as a single atom was measured. The remarkable feature of these QPCs is the rapid oscillatory decay in magnetoresistance with the increase of contact size. In addition,stepwise or quantum magnetoresistance loops are observed,resulting from varying transmission probability of the available discrete conductance channels because the sample is cycled between the ferromagnetic (F) and antiferromagnetic (AF) aligned states. Quantized conductance combined with spin dependent transmission of electron waves gives rise to a multi-channel system with a quantum domain wall acting as a valve,i.e.,a quantum spin-valve. Behavior of a few-atom QPC is built on the behavior of a single-atom QPC and hence the summarization of results as 'single-atom spintronics'. An evolutionary trace of spin-dependent electron transmission from a single atom to bulk is provided,the requisite hallmarks of artefact-free magnetoresistance is established across a QPC - stepwise or quantum magnetoresistance loops and size dependent oscillatory magnetoresistance.

  6. Role of Ge Switch in Phase Transition: Approach using Atomically Controlled GeTe/Sb2Te3 Superlattice

    Science.gov (United States)

    Tominaga, Juniji; Fons, Paul; Kolobov, Alexander; Shima, Takayuki; Chong, Tow Chong; Zhao, Rong; Koon Lee, Hock; Shi, Luping

    2008-07-01

    Germanium-antimony-tellurite (GST) is a very attractive material not only for rewritable optical media but also for realizing solid state devices. Recently, the study of the switching mechanism between the amorphous and crystal states has actively been carried out experimentally and theoretically. Now, the role of the flip-flop transition of a Ge atom in a distorted simple-cubic unit cell is the center of discussion. Turning our viewpoint towards a much wider region beyond a unit cell, we can understand that GeSbTe consists of two units: one is a Sb2Te3 layer and the other is a Ge2Te2 layer. On the based of this simple model, we fabricated the superlattice of GST alloys and estimated their thermal properties by differential scanning calorimetry (DSC). In this paper, we discuss the proof of the Ge switch on the basis of thermo-histories.

  7. Antimisting kerosene atomization and flammability

    Science.gov (United States)

    Fleeter, R.; Petersen, R. A.; Toaz, R. D.; Jakub, A.; Sarohia, V.

    1982-01-01

    Various parameters found to affect the flammability of antimisting kerosene (Jet A + polymer additive) are investigated. Digital image processing was integrated into a technique for measurement of fuel spray characteristics. This technique was developed to avoid many of the error sources inherent to other spray assessment techniques and was applied to the study of engine fuel nozzle atomization performance with Jet A and antimisting fuel. Aircraft accident fuel spill and ignition dynamics were modeled in a steady state simulator allowing flammability to be measured as a function of airspeed, fuel flow rate, fuel jet Reynolds number and polymer concentration. The digital imaging technique was employed to measure spray characteristics in this simulation and these results were related to flammability test results. Scaling relationships were investigated through correlation of experimental results with characteristic dimensions spanning more than two orders of magnitude.

  8. An Atom Counting QSPR Protocol

    CERN Document Server

    Giri, S; Chattaraj, P K; Roy, D R; Subramanian, V

    2006-01-01

    A deceptively simple descriptor, viz. the number of carbon / non-hydrogenic atoms present in a molecule, is proposed for the development of useful quantitative-structure-property-relationship (QSPR) models. It is tested in models pertaining to the estimation of boiling point of alcohols, enthalpy of vaporization of polychlorinated biphenyls (PCBs), n-octanol / water partition coefficient of PCBs and chloroanisoles, pKa values of carboxylic acids, phenols and alcohols etc. Very high values of various regression coefficients (R2, R2CV, R2Ad) suggest the significance of this descriptor which further improves in the resulting two-parameter QSPR models with electrophilicity or its local variant as an additional descriptor.

  9. Quantum magnetism through atomic assembly

    NARCIS (Netherlands)

    Spinelli, A.

    2015-01-01

    This thesis presents an experimental study of magnetic structures, composed of only a few atoms. Those structures are first built atom-by-atom and then locally probed, both with a low-temperature STM. The technique that we use to assemble them is vertical atom manipulation, while to study their phy

  10. Robust population transfer in atomic beams induced by Doppler shifts

    Science.gov (United States)

    Unanyan, R. G.

    2016-10-01

    The influence of photon momentum recoil on adiabatic population transfer in an atomic three-level lambda system is studied. It is shown that the Doppler frequency shifts, due to atomic motion, can play an important role in adiabatic population transfer processes of atomic internal states by a pair of laser fields. For the limiting case of slow atoms (Doppler shift much smaller than the photon recoil energy), the atoms occupy the same target state regardless of the order of switching of laser fields, while for the case of fast atoms interacting with the intuitive sequence of pulses, the target state is the intermediate atomic state. Furthermore, it is shown that this novel technique for adiabatic population transfer is related to a level crossing in the bright-intermediate state basis (rather than in the original atomic basis). It is shown that these processes are robust with respect to parameter fluctuations, such as the laser pulse area and the relative spatial offset (delay) of the laser beams. The obtained results can be used for the control of temporal evolution of atomic populations in cold atomic beams by externally adjustable Doppler shifts.

  11. Hamiltonian chaos with a cold atom in an optical lattice

    CERN Document Server

    Prants, S V

    2012-01-01

    We consider a basic model of the lossless interaction between a moving two-level atom and a standing-wave single-mode laser field. Classical treatment of the translational atomic motion provides the semiclassical Hamilton-Schrodinger equations which are a 5D nonlinear dynamical system with two integrals of motion. The atomic dynamics can be regular or chaotic in dependence on values of the control parameters, the atom-field detuning and recoil frequency. We develop a semiclassical theory of the chaotic atomic transport in terms of a random walk of the atomic electric dipole moment $u$. Based on a jump-like behavior of this variable for atoms crossing nodes of the standing wave, we construct a stochastic map that specifies the center-of-mass motion. We find the relations between the detuning, recoil frequency and the atomic energy, under which atoms may move in a optical lattice in a chaotic way. We obtain the analytical conditions under which deterministic atomic transport has fractal properties and explain a...

  12. Sampling the Hydrogen Atom

    Directory of Open Access Journals (Sweden)

    Graves N.

    2013-01-01

    Full Text Available A model is proposed for the hydrogen atom in which the electron is an objectively real particle orbiting at very near to light speed. The model is based on the postulate that certain velocity terms associated with orbiting bodies can be considered as being af- fected by relativity. This leads to a model for the atom in which the stable electron orbits are associated with orbital velocities where Gamma is n /α , leading to the idea that it is Gamma that is quantized and not angular momentum as in the Bohr and other models. The model provides a mechanism which leads to quantization of energy levels within the atom and also provides a simple mechanical explanation for the Fine Struc- ture Constant. The mechanism is closely associated with the Sampling theorem and the related phenomenon of aliasing developed in the mid-20th century by engineers at Bell labs.

  13. Three-dimensional coordinates of individual atoms in materials revealed by electron tomography.

    Science.gov (United States)

    Xu, Rui; Chen, Chien-Chun; Wu, Li; Scott, M C; Theis, W; Ophus, Colin; Bartels, Matthias; Yang, Yongsoo; Ramezani-Dakhel, Hadi; Sawaya, Michael R; Heinz, Hendrik; Marks, Laurence D; Ercius, Peter; Miao, Jianwei

    2015-11-01

    Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. Here, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ∼19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field and the full strain tensor with a 3D resolution of ∼1 nm(3) and a precision of ∼10(-3), which are further verified by density functional theory calculations and molecular dynamics simulations. The ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.

  14. Computer Simulation of Ordering and Atom Clustering in Aging Binary Al-Li Alloy

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-ling; CHEN Zheng; WANG Yong-xin; HU Ming-juan

    2004-01-01

    Ordering and atom clustering in aging binary Al-Li alloy has been investigated by computer simulation through calculating the long range order (lro.) parameter and composition deviation order parameter from single-site occupation probabilities of Li atom. The results show that when the alloy lies in metastable region in the phase diagram ordering and atom clustering occur simultaneously. As the composition of the alloy increases ordering occurs earlier than atom clustering gradually. When the alloy lies in instable region atom clustering takes place after the congruent ordering completes. It has also been found that the incubation period of the phase transformation is shortened as the composition increases.

  15. Computer Simulation of Ordering and Atom Clustering in Aging Binary AI-Li Alloy

    Institute of Scientific and Technical Information of China (English)

    LIXiao-ling; CHENZheng; WANGYong-xin; HUMing-juan

    2004-01-01

    Ordering and atom clustering in aging binary Al-Li alloy has been investigated by computer simulation through calculating the long range order (lro.) parameter and composition deviation order parameter from single-site occupation probabilities of Li atom. The results show that when the alloy lies in metastable region in the phase diagram ordering and atom clustering occur simultaneously. As the composition of the alloy increases ordering occurs earlier than atom clustering gradually. When the alloy lies in instable region atom clustering takes place after the congruent ordering completes. It has also been found that the incubation period of the phase transformation is shortened as the composition increases.

  16. Korean atomic bomb victims.

    Science.gov (United States)

    Sasamoto, Yukuo

    2009-01-01

    After colonizing Korea, Japan invaded China, and subsequently initiated the Pacific War against the United States, Britain, and their allies. Towards the end of the war, U.S. warplanes dropped atomic bombs on Hiroshima and Nagasaki, which resulted in a large number of Koreans who lived in Hiroshima and Nagasaki suffering from the effects of the bombs. The objective of this paper is to examine the history of Korea atomic bomb victims who were caught in between the U.S., Japan, the Republic of Korea (South Korea) and the Democratic People's Republic of Korea (North Korea).

  17. Optically pumped atoms

    CERN Document Server

    Happer, William; Walker, Thad

    2010-01-01

    Covering the most important knowledge on optical pumping of atoms, this ready reference is backed by numerous examples of modelling computation for optical pumped systems. The authors show for the first time that modern scientific computing software makes it practical to analyze the full, multilevel system of optically pumped atoms. To make the discussion less abstract, the authors have illustrated key points with sections of MATLAB codes. To make most effective use of contemporary mathematical software, it is especially useful to analyze optical pumping situations in the Liouville spa

  18. Atomic Force Microscope

    Energy Technology Data Exchange (ETDEWEB)

    Day, R.D.; Russell, P.E.

    1988-12-01

    The Atomic Force Microscope (AFM) is a recently developed instrument that has achieved atomic resolution imaging of both conducting and non- conducting surfaces. Because the AFM is in the early stages of development, and because of the difficulty of building the instrument, it is currently in use in fewer than ten laboratories worldwide. It promises to be a valuable tool for obtaining information about engineering surfaces and aiding the .study of precision fabrication processes. This paper gives an overview of AFM technology and presents plans to build an instrument designed to look at engineering surfaces.

  19. Atoms in Agriculture

    Energy Technology Data Exchange (ETDEWEB)

    Osborne, Thomas S. [University of Tennessee

    1965-01-01

    Agriculture benefits from the applications of research. Radioactive techniques have been used to study soils, plants, microbes, insects, farm animals, and new ways to use and preserve foodstuffs. Radioactive atoms are not used directly by farmers but are used in research directed by the U. S. Department of Agriculture and Atomic Energy Commission, by the agricultural experiment stations of the various states, and by numerous public and private research institutions. From such research come improved materials and methods which are used on the farm.

  20. Molecular photons interfaced with alkali atoms.

    Science.gov (United States)

    Siyushev, Petr; Stein, Guilherme; Wrachtrup, Jörg; Gerhardt, Ilja

    2014-05-01

    Future quantum communication will rely on the integration of single-photon sources, quantum memories and systems with strong single-photon nonlinearities. Two key parameters are crucial for the single-photon source: a high photon flux with a very small bandwidth, and a spectral match to other components of the system. Atoms or ions may act as single-photon sources--owing to their narrowband emission and their intrinsic spectral match to other atomic systems--and can serve as quantum nonlinear elements. Unfortunately, their emission rates are still limited, even for highly efficient cavity designs. Single solid-state emitters such as single organic dye molecules are significantly brighter and allow for narrowband photons; they have shown potential in a variety of quantum optical experiments but have yet to be interfaced with other components such as stationary memory qubits. Here we describe the optical interaction between Fourier-limited photons from a single organic molecule and atomic alkali vapours, which can constitute an efficient quantum memory. Single-photon emission rates reach up to several hundred thousand counts per second and show a high spectral brightness of 30,000 detectable photons per second per megahertz of bandwidth. The molecular emission is robust and we demonstrate perfect tuning to the spectral transitions of the sodium D line and efficient filtering, even for emitters at ambient conditions. In addition, we achieve storage of molecular photons originating from a single dibenzanthanthrene molecule in atomic sodium vapour. Given the large set of molecular emission lines matching to atomic transitions, our results enable the combination of almost ideal single-photon sources with various atomic vapours, such that experiments with giant single-photon nonlinearities, mediated, for example, by Rydberg atoms, become feasible.

  1. Stout: Cloudy's Atomic and Molecular Database

    CERN Document Server

    Lykins, M L; Kisielius, R; Chatzikos, M; Porter, R L; van Hoof, P A M; Williams, R J R; Keenan, F P; Stancil, P C

    2015-01-01

    We describe a new atomic and molecular database we developed for use in the spectral synthesis code Cloudy. The design of Stout is driven by the data needs of Cloudy, which simulates molecular, atomic, and ionized gas with kinetic temperatures 2.8 K < T < 1e10 K and densities spanning the low to high-density limits. The radiation field between photon energies $10^{-8}$ Ry and 100 MeV is considered, along with all atoms and ions of the lightest 30 elements, and ~100 molecules. For ease of maintenance, the data are stored in a format as close as possible to the original data sources. Few data sources include the full range of data we need. We describe how we fill in the gaps in the data or extrapolate rates beyond their tabulated range. We tabulate data sources both for the atomic spectroscopic parameters and for collision data for the next release of Cloudy. This is not intended as a review of the current status of atomic data, but rather a description of the features of the database which we will build ...

  2. Resonances and anti-resonances in the material parameters of 2-D dielectric ENG, MNG, and DNG materials

    DEFF Research Database (Denmark)

    Wu, Yunqiu; Arslanagic, Samel

    The resonant/anti-resonant behavior of parameters extracted by the S-parameter method for two-dimensional epsilon-, mu- and double-negative (ENG, MNG, DNG) materials is investigated. The unit cells consist of infinite dielectric cylinders supporting electric dipole, magnetic dipole, or both....... It is shown that the extraction procedure yields one resonant material parameter, and one anti-resonant material parameter in MNG and ENG configurations. However, both parameters display an over-all resonant response in DNG configurations where electric and magnetic dipole modes are excited simultaneously....

  3. Edax Spectra as a Tool to Evaluate Structural, Compositional and Electrical Parameters

    Science.gov (United States)

    Kavitha, B.; Dhanam, M.

    2012-06-01

    Near-stoichiometric and stoichiometric Cu(InAl)Se2 (CIAS) thin films have been prepared by successive ionic layer adsorption and reaction (SILAR) onto well-cleaned substrates. energy dispersive X-ray analysis (EDAX) spectra of the prepared thin films enabled to determine the film composition, stoichiometry nature, type of conductivity, lattice constants, volume of the unit cell and density of CIAS thin films. The estimated compositional, structural and electrical parameters are presented and discussed in this paper in detail.

  4. EDAX SPECTRA AS A TOOL TO EVALUATE STRUCTURAL, COMPOSITIONAL AND ELECTRICAL PARAMETERS

    OpenAIRE

    2012-01-01

    Near-stoichiometric and stoichiometric Cu(InAl)Se2 (CIAS) thin films have been prepared by successive ionic layer adsorption and reaction (SILAR) onto well-cleaned substrates. energy dispersive X-ray analysis (EDAX) spectra of the prepared thin films enabled to determine the film composition, stoichiometry nature, type of conductivity, lattice constants, volume of the unit cell and density of CIAS thin films. The estimated compositional, structural and electrical parameters are presented and ...

  5. Atomic physics and reality

    CERN Multimedia

    1985-01-01

    An account of the long standing debate between Niels Bohr and Albert Einstein regarding the validity of the quantum mechanical description of atomic phenomena.With physicts, John Wheeler (Texas), John Bell (CERN), David Rohm (London), Abner Shimony (Boston), Alain Aspect (Paris)

  6. Energy from the Atom.

    Science.gov (United States)

    Smith, Patricia L.

    This curriculum guide was written to supplement fifth and sixth grade science units on matter and energy. It was designed to provide more in-depth material on the atom. The first part, "Teacher Guide," contains background information, biographical sketches of persons in the history of nuclear energy, vocabulary, answer sheets, management sheets…

  7. Atomically Traceable Nanostructure Fabrication.

    Science.gov (United States)

    Ballard, Josh B; Dick, Don D; McDonnell, Stephen J; Bischof, Maia; Fu, Joseph; Owen, James H G; Owen, William R; Alexander, Justin D; Jaeger, David L; Namboodiri, Pradeep; Fuchs, Ehud; Chabal, Yves J; Wallace, Robert M; Reidy, Richard; Silver, Richard M; Randall, John N; Von Ehr, James

    2015-07-17

    Reducing the scale of etched nanostructures below the 10 nm range eventually will require an atomic scale understanding of the entire fabrication process being used in order to maintain exquisite control over both feature size and feature density. Here, we demonstrate a method for tracking atomically resolved and controlled structures from initial template definition through final nanostructure metrology, opening up a pathway for top-down atomic control over nanofabrication. Hydrogen depassivation lithography is the first step of the nanoscale fabrication process followed by selective atomic layer deposition of up to 2.8 nm of titania to make a nanoscale etch mask. Contrast with the background is shown, indicating different mechanisms for growth on the desired patterns and on the H passivated background. The patterns are then transferred into the bulk using reactive ion etching to form 20 nm tall nanostructures with linewidths down to ~6 nm. To illustrate the limitations of this process, arrays of holes and lines are fabricated. The various nanofabrication process steps are performed at disparate locations, so process integration is discussed. Related issues are discussed including using fiducial marks for finding nanostructures on a macroscopic sample and protecting the chemically reactive patterned Si(100)-H surface against degradation due to atmospheric exposure.

  8. Chiral atomically thin films

    Science.gov (United States)

    Kim, Cheol-Joo; Sánchez-Castillo, A.; Ziegler, Zack; Ogawa, Yui; Noguez, Cecilia; Park, Jiwoong

    2016-06-01

    Chiral materials possess left- and right-handed counterparts linked by mirror symmetry. These materials are useful for advanced applications in polarization optics, stereochemistry and spintronics. In particular, the realization of spatially uniform chiral films with atomic-scale control of their handedness could provide a powerful means for developing nanodevices with novel chiral properties. However, previous approaches based on natural or grown films, or arrays of fabricated building blocks, could not offer a direct means to program intrinsic chiral properties of the film on the atomic scale. Here, we report a chiral stacking approach, where two-dimensional materials are positioned layer-by-layer with precise control of the interlayer rotation (θ) and polarity, resulting in tunable chiral properties of the final stack. Using this method, we produce left- and right-handed bilayer graphene, that is, a two-atom-thick chiral film. The film displays one of the highest intrinsic ellipticity values (6.5 deg μm-1) ever reported, and a remarkably strong circular dichroism (CD) with the peak energy and sign tuned by θ and polarity. We show that these chiral properties originate from the large in-plane magnetic moment associated with the interlayer optical transition. Furthermore, we show that we can program the chiral properties of atomically thin films layer-by-layer by producing three-layer graphene films with structurally controlled CD spectra.

  9. Atomic and Molecular Processes

    Science.gov (United States)

    1980-06-25

    The topics investigated experimentally and theoretically by the Pittsburgh Atomic Sciences Institute with applications to high power laser development and atmospheric IR backgrounds are enumerated. Reports containing the detailed scientific progress in these studies are cited. Finally, a list of the journal articles describing the results of the programs, with full references, is given.

  10. Single-Atom Electrocatalysts.

    Science.gov (United States)

    Zhu, Chengzhou; Fu, Shaofang; Shi, Qiurong; Du, Dan; Lin, Yuehe

    2017-05-23

    Recent years have witnessed the increasing production of the sustainable and renewable energy. The limitations of electrochemical performances are closely associated with the search for highly efficient electrocatalysts with more rational control of size, shape, composition and structure. Specifically, the rapidly emerging studies on single-atom catalysts (SACs) have sparked new interests in electrocatalysis because of the unique properties such as high catalytic activity, selectivity and 100% atom utilization. In this review, we introduce the innovative synthesis and advanced characterizations of SACs and primarily focus on their electrochemical applications in oxygen reduction/evolution reaction, hydrogen evolution reaction, hydrocarbon conversion reactions for fuel cells (methanol, ethanol and formic acid electrooxidation) and other related fields. Significantly, this unique single atom-depended electrocatalytic performance together with the underlying mechanism will also be discussed. Furthermore, future research directions and challenges are proposed to further realize the ultimate goal of tailoring single-atoms for electrochemical applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Atomic Particle Detection

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1970-01-01

    This booklet tells how scientists observe the particles and electromagnetic radiation that emerges from an atomic nucleus. The equipment used falls into two general categories: counters which count each particle as it passes by, and track detectors, which make a photographic record of the particle's track.

  12. Atomism, Pragmatism, Holism.

    Science.gov (United States)

    Miller, John P.

    1986-01-01

    Examines three world views influencing curriculum development--atomism (underpinning competency-based education), pragmatism (promoting inquiry-based approaches), amd holism (associated with confluent or Waldorf education). Holism embodies the perennial philosophy and attempts to integrate cognitive, affective, and transpersonal dimensions,…

  13. Ludwig Boltzmann: Atomic genius

    Energy Technology Data Exchange (ETDEWEB)

    Cercignani, C. [Department of Mathematics, Politecnico di Milano (Italy)]. E-mail: carcer@mate.polimi.it

    2006-09-15

    On the centenary of the death of Ludwig Boltzmann, Carlo Cercignani examines the immense contributions of the man who pioneered our understanding of the atomic nature of matter. The man who first gave a convincing explanation of the irreversibility of the macroscopic world and the symmetry of the laws of physics was the Austrian physicist Ludwig Boltzmann, who tragically committed suicide 100 years ago this month. One of the key figures in the development of the atomic theory of matter, Boltzmann's fame will be forever linked to two fundamental contributions to science. The first was his interpretation of 'entropy' as a mathematically well-defined measure of the disorder of atoms. The second was his derivation of what is now known as the Boltzmann equation, which describes the statistical properties of a gas as made up of molecules. The equation, which described for the first time how a probability can evolve with time, allowed Boltzmann to explain why macroscopic phenomena are irreversible. The key point is that while microscopic objects like atoms can behave reversibly, we never see broken coffee cups reforming because it would involve a long series of highly improbable interactions - and not because it is forbidden by the laws of physics. (U.K.)

  14. Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB5 Intermetallics.

    Science.gov (United States)

    Berns, Veronica M; Engelkemier, Joshua; Guo, Yiming; Kilduff, Brandon J; Fredrickson, Daniel C

    2014-08-12

    The notion of atomic size poses an important challenge to chemical theory: empirical evidence has long established that atoms have spatial requirements, which are summarized in tables of covalent, ionic, metallic, and van der Waals radii. Considerations based on these radii play a central role in the design and interpretation of experiments, but few methods are available to directly support arguments based on atomic size using electronic structure methods. Recently, we described an approach to elucidating atomic size effects using theoretical calculations: the DFT-Chemical Pressure analysis, which visualizes the local pressures arising in crystal structures from the interactions of atomic size and electronic effects. Using this approach, a variety of structural phenomena in intermetallic phases have already been understood in terms that provide guidance to new synthetic experiments. However, the applicability of the DFT-CP method to the broad range of the structures encountered in the solid state is limited by two issues: (1) the difficulty of interpreting the intense pressure features that appear in atomic core regions and (2) the need to divide space among pairs of interacting atoms in a meaningful way. In this article, we describe general solutions to these issues. In addressing the first issue, we explore the CP analysis of a test case in which no core pressures would be expected to arise: isolated atoms in large boxes. Our calculations reveal that intense core pressures do indeed arise in these virtually pressure-less model systems and allow us to trace the issue to the shifts in the voxel positions relative to atomic centers upon expanding and contracting the unit cell. A compensatory grid unwarping procedure is introduced to remedy this artifact. The second issue revolves around the difficulty of interpreting the pressure map in terms of interatomic interactions in a way that respects the size differences of the atoms and avoids artificial geometrical

  15. Hyperfine Magnetic Anomaly in the Atomic Spectra of the Rare-Earth Elements

    CERN Document Server

    Gangrsky, Yu P; Karaivanov, D V; Kolesnikov, N N; Marinova, K P; Markov, B N; Rostovsky, V S

    2001-01-01

    The constants of the hyperfine splitting in the atomic optical spectra of the rare-earth elements - Nd, Eu, Gd and Lu - were measured. The method of laser resonance fluorescence in the parallel atomic beam was used. The values of the hyperfine magnetic anomaly were determined from the comparison of magnetic dipole constant ratios of the neighbouring odd Z or N isotopes for the different atomic levels. The connection of these values and the parameters of atomic and nuclear structure is discussed.

  16. Nanocluster model of intermetallic compounds with giant unit cells: beta, beta'-Mg(2)Al(3) polymorphs.

    Science.gov (United States)

    Blatov, Vladislav A; Ilyushin, Gregory D; Proserpio, Davide M

    2010-02-15

    A novel method for the computational description of intermetallics as an assembly of nanoclusters was improved and applied to extremely complicated crystal structures of beta, beta'-Mg(2)Al(3) polymorphs. Using the TOPOS program package that implements the method, we separated two types of two-shell primary nanoclusters A, A1, A2, and B consisting of 57-63 atoms that completely compose the structures of the polymorphs. The nanocluster model interprets structural disordering in beta-Mg(2)Al(3): the disordered atoms form the inner shell of the nanocluster A, while the outer shells of all nanoclusters are preserved. The self-assembly of the beta, beta'-Mg(2)Al(3) crystal structures was considered within the hierarchical scheme: 0D primary polyhedral clusters (coordination polyhedra) --> 0D two-shell primary nanoclusters A, A1, A2, or B --> 0D supracluster-precursor AB(2) --> 1D primary chain --> 2D microlayer --> 3D microframework. The self-assembly scheme proves the similarity of beta, beta'-Mg(2)Al(3) to other extremely complicated Samson's phases, NaCd(2) and ZrZn(22); the spatial arrangement of the centers of nanoclusters in these structures as well as the topology of the corresponding network conform to the Laves phase MgCu(2). Using the TOPOS procedure of searching for finite fragments in infinite nets we found that nanocluster B is a typical fragment of intermetallic compounds: it exists in intermetallics belonging to 42 Pearson classes. The nanocluster A was found only in two Pearson classes: cF464 and hP238, while the nanoclusters A1 and A2 occur in beta'-Mg(2)Al(3) only. Thus, the nanoclusters A, A1, and A2 can be considered as "determinants" of the corresponding structures.

  17. Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.

    Science.gov (United States)

    Woo Kim, Hyun; Rhee, Young Min

    2012-07-30

    Recently, many polarizable force fields have been devised to describe induction effects between molecules. In popular polarizable models based on induced dipole moments, atomic polarizabilities are the essential parameters and should be derived carefully. Here, we present a parameterization scheme for atomic polarizabilities using a minimization target function containing both molecular and atomic information. The main idea is to adopt reference data only from quantum chemical calculations, to perform atomic polarizability parameterizations even when relevant experimental data are scarce as in the case of electronically excited molecules. Specifically, our scheme assigns the atomic polarizabilities of any given molecule in such a way that its molecular polarizability tensor is well reproduced. We show that our scheme successfully works for various molecules in mimicking dipole responses not only in ground states but also in valence excited states. The electrostatic potential around a molecule with an externally perturbing nearby charge also exhibits a near-quantitative agreement with the reference data from quantum chemical calculations. The limitation of the model with isotropic atoms is also discussed to examine the scope of its applicability.

  18. Holographic reconstruction of atomic adsorption sites from fractional-order LEED spots

    Science.gov (United States)

    Saldin, D. K.; Reuter, K.; Blum, V.; Wedler, H.; Heinz, K.; Vamvakas, J. A.

    1998-03-01

    Striking 3D holographic images of atomic adsorption sites on surfaces may be reconstructed from diffuse LEED data by means of the Compensated Object and Reference-wave Reconstruction by an Energy-dependent Cartesian Transform (CORRECT) (D. K. Saldin and X. Chen, Phys. Rev. B 52), 2941 (1995); D. K. Saldin et al., Surf. Rev. Lett, in press. The fact that the input to the algorithm consists of LEED data on a Cartesian grid in reciprocal space suggests that it may be used also with data from fractional order Bragg spots from ordered surfaces. This has been demsonstrated recently (K. Reuter et al., Phys. Rev. Lett. 79), 4818 (1997) for the (3×3) reconstruction of the SiC(111) surface, where the holographic image was a crucial piece of information for solving that unknown structure. We show here that such an algorithm may even determine atomic adsorption geometries from superstructure unit cells as small as p(2×2).

  19. Visualization of atomic-scale phenomena in superconductors: Application to FeSe

    Science.gov (United States)

    Choubey, Peayush; Berlijn, T.; Kreisel, A.; Cao, C.; Hirschfeld, P. J.

    2014-10-01

    We propose a simple method of calculating inhomogeneous, atomic-scale phenomena in superconductors which makes use of the wave function information traditionally discarded in the construction of tight-binding models used in the Bogoliubov-de Gennes equations. The method uses symmetry-based first-principles Wannier functions to visualize the effects of superconducting pairing on the distribution of electronic states over atoms within a crystal unit cell. Local symmetries lower than the global lattice symmetry can thus be exhibited as well, rendering theoretical comparisons with scanning tunneling spectroscopy data much more useful. As a simple example, we discuss the geometric dimer states observed near defects in superconducting FeSe.

  20. Renormalizable two-parameter piecewise isometries.

    Science.gov (United States)

    Lowenstein, J H; Vivaldi, F

    2016-06-01

    We exhibit two distinct renormalization scenarios for two-parameter piecewise isometries, based on 2π/5 rotations of a rhombus and parameter-dependent translations. Both scenarios rely on the recently established renormalizability of a one-parameter triangle map, which takes place if and only if the parameter belongs to the algebraic number field K=Q(5) associated with the rotation matrix. With two parameters, features emerge which have no counterpart in the single-parameter model. In the first scenario, we show that renormalizability is no longer rigid: whereas one of the two parameters is restricted to K, the second parameter can vary continuously over a real interval without destroying self-similarity. The mechanism involves neighbouring atoms which recombine after traversing distinct return paths. We show that this phenomenon also occurs in the simpler context of Rauzy-Veech renormalization of interval exchange transformations, here regarded as parametric piecewise isometries on a real interval. We explore this analogy in some detail. In the second scenario, which involves two-parameter deformations of a three-parameter rhombus map, we exhibit a weak form of rigidity. The phase space splits into several (non-convex) invariant components, on each of which the renormalization still has a free parameter. However, the foliations of the different components are transversal in parameter space; as a result, simultaneous self-similarity of the component maps requires that both of the original parameters belong to the field K.

  1. Hidden Markov Model of atomic quantum jump dynamics in an optically probed cavity

    DEFF Research Database (Denmark)

    Gammelmark, S.; Molmer, K.; Alt, W.

    2014-01-01

    We analyze the quantum jumps of an atom interacting with a cavity field. The strong atom- field interaction makes the cavity transmission depend on the time dependent atomic state, and we present a Hidden Markov Model description of the atomic state dynamics which is conditioned in a Bayesian......, the atomic state is determined in a Bayesian manner from the measurement data, and we present an iterative protocol, which determines both the atomic state and the model parameters. As a new element in the treatment of observed quantum systems, we employ a Bayesian approach that conditions the atomic state...... manner on the detected signal. We suggest that small variations in the observed signal may be due to spatial motion of the atom within the cavity, and we represent the atomic system by a number of hidden states to account for both the small variations and the internal state jump dynamics. In our theory...

  2. Hidden Markov Model of atomic quantum jump dynamics in an optically probed cavity

    DEFF Research Database (Denmark)

    Gammelmark, S.; Molmer, K.; Alt, W.

    2014-01-01

    manner on the detected signal. We suggest that small variations in the observed signal may be due to spatial motion of the atom within the cavity, and we represent the atomic system by a number of hidden states to account for both the small variations and the internal state jump dynamics. In our theory......We analyze the quantum jumps of an atom interacting with a cavity field. The strong atom- field interaction makes the cavity transmission depend on the time dependent atomic state, and we present a Hidden Markov Model description of the atomic state dynamics which is conditioned in a Bayesian......, the atomic state is determined in a Bayesian manner from the measurement data, and we present an iterative protocol, which determines both the atomic state and the model parameters. As a new element in the treatment of observed quantum systems, we employ a Bayesian approach that conditions the atomic state...

  3. Optical bistability and multistability via atomic coherence in the quasi-Λ-type atomic system

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The steady-state optical bistability(OB) and optical multistability(OM) behavior in the quasi——type atomic system driven by a probe field and a coherent coupling field inside a unidirectional ring cavity are shown,and the effects of coupling-field detuning and coupling-field intensity on the OB and OM behavior are investigated. The transition from OB to OM or vice versa is found by varying the detuning of the coherent coupling field or by adjusting the intensity of the coupling field. The influence of the atomic cooperation parameter on the OM behavior is also discussed.

  4. Fundamentals of lateral and vertical heterojunctions of atomically thin materials.

    Science.gov (United States)

    Pant, Anupum; Mutlu, Zafer; Wickramaratne, Darshana; Cai, Hui; Lake, Roger K; Ozkan, Cengiz; Tongay, Sefaattin

    2016-02-21

    At the turn of this century, Herbert Kroemer, the 2000 Nobel Prize winner in Physics, famously commented that "the interface is the device". This statement has since opened up unparalleled opportunities at the interface of conventional three-dimensional (3D) materials (H. Kroemer, Quasi-Electric and Quasi-Magnetic Fields in Non-Uniform Semiconductors, RCA Rev., 1957, 18, 332-342). More than a decade later, Sir Andre Geim and Irina Grigorieva presented their views on 2D heterojunctions which further cultivated broad interests in the 2D materials field. Currently, advances in two-dimensional (2D) materials enable us to deposit layered materials that are only one or few unit-cells in thickness to construct sharp in-plane and out-of-plane interfaces between dissimilar materials, and to be able to fabricate novel devices using these cutting-edge techniques. The interface alone, which traditionally dominated overall device performance, thus has now become the device itself. Fueled by recent progress in atomically thin materials, we are now at the ultimate limit of interface physics, which brings to us new and exciting opportunities, with equally demanding challenges. This paper endeavors to provide stalwarts and newcomers a perspective on recent advances in synthesis, fundamentals, applications, and future prospects of a large variety of heterojunctions of atomically thin materials.

  5. Fundamentals of lateral and vertical heterojunctions of atomically thin materials

    Science.gov (United States)

    Pant, Anupum; Mutlu, Zafer; Wickramaratne, Darshana; Cai, Hui; Lake, Roger K.; Ozkan, Cengiz; Tongay, Sefaattin

    2016-02-01

    At the turn of this century, Herbert Kroemer, the 2000 Nobel Prize winner in Physics, famously commented that ``the interface is the device''. This statement has since opened up unparalleled opportunities at the interface of conventional three-dimensional (3D) materials (H. Kroemer, Quasi-Electric and Quasi-Magnetic Fields in Non-Uniform Semiconductors, RCA Rev., 1957, 18, 332-342). More than a decade later, Sir Andre Geim and Irina Grigorieva presented their views on 2D heterojunctions which further cultivated broad interests in the 2D materials field. Currently, advances in two-dimensional (2D) materials enable us to deposit layered materials that are only one or few unit-cells in thickness to construct sharp in-plane and out-of-plane interfaces between dissimilar materials, and to be able to fabricate novel devices using these cutting-edge techniques. The interface alone, which traditionally dominated overall device performance, thus has now become the device itself. Fueled by recent progress in atomically thin materials, we are now at the ultimate limit of interface physics, which brings to us new and exciting opportunities, with equally demanding challenges. This paper endeavors to provide stalwarts and newcomers a perspective on recent advances in synthesis, fundamentals, applications, and future prospects of a large variety of heterojunctions of atomically thin materials.

  6. Absorption imaging of ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Smith, David A.; Aigner, Simon; Hofferberth, Sebastian

    2011-01-01

    Imaging ultracold atomic gases close to surfaces is an important tool for the detailed analysis of experiments carried out using atom chips. We describe the critical factors that need be considered, especially when the imaging beam is purposely reflected from the surface. In particular we present...... methods to measure the atom-surface distance, which is a prerequisite for magnetic field imaging and studies of atom surface-interactions....

  7. Atomic Coherent Trapping and Properties of Trapped Atom

    Institute of Scientific and Technical Information of China (English)

    YANG Guo-Jian; XIA Li-Xin; XIE Min

    2006-01-01

    Based on the theory of velocity-selective coherent population trapping, we investigate an atom-laser system where a pair of counterpropagating laser fields interact with a three-level atom. The influence of the parametric condition on the properties of the system such as velocity at which the atom is selected to be trapped, time needed for finishing the coherent trapping process, and possible electromagnetically induced transparency of an altrocold atomic medium,etc., is studied.

  8. Effect of an external radiation field on the properties of the atoms and cavity field in the two-atom Tavis-Cummings model

    Institute of Scientific and Technical Information of China (English)

    王忠纯; 王琪; 张永生; 郭光灿

    2005-01-01

    We study the properties of atoms and cavity field in the two-atom Tavis-Cummings model where the two atoms interact with each other and are also driven by an external classical field. We consider the special case that the cavity is initially in a coherent state. The atomic inversion, the average photons number and the Mandel parameter in the driven Tavis-Cummings model are given and analysed numerically. We pay special attention to the dynamical behaviour of the atoms and the cavity field modified by the external field.

  9. Optical atomic clocks

    CERN Document Server

    Poli, N; Gill, P; Tino, G M

    2014-01-01

    In the last ten years extraordinary results in time and frequency metrology have been demonstrated. Frequency-stabilization techniques for continuous-wave lasers and femto-second optical frequency combs have enabled a rapid development of frequency standards based on optical transitions in ultra-cold neutral atoms and trapped ions. As a result, today's best performing atomic clocks tick at an optical rate and allow scientists to perform high-resolution measurements with a precision approaching a few parts in $10^{18}$. This paper reviews the history and the state of the art in optical-clock research and addresses the implementation of optical clocks in a possible future redefinition of the SI second as well as in tests of fundamental physics.

  10. Cavity enhanced atomic magnetometry

    CERN Document Server

    Crepaz, Herbert; Dumke, Rainer

    2015-01-01

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  11. Cavity enhanced atomic magnetometry.

    Science.gov (United States)

    Crepaz, Herbert; Ley, Li Yuan; Dumke, Rainer

    2015-10-20

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  12. Real and Hybrid Atomic Orbitals.

    Science.gov (United States)

    Cook, D. B.; Fowler, P. W.

    1981-01-01

    Demonstrates that the Schrodinger equation for the hydrogenlike atom separates in both spheroconal and prolate spheroidal coordinates and that these separations provide a sound theoretical basis for the real and hybrid atomic orbitals. (Author/SK)

  13. Atom-Light Hybrid Interferometer.

    Science.gov (United States)

    Chen, Bing; Qiu, Cheng; Chen, Shuying; Guo, Jinxian; Chen, L Q; Ou, Z Y; Zhang, Weiping

    2015-07-24

    A new type of hybrid atom-light interferometer is demonstrated with atomic Raman amplification processes replacing the beam splitting elements in a traditional interferometer. This nonconventional interferometer involves correlated optical and atomic waves in the two arms. The correlation between atoms and light developed with the Raman process makes this interferometer different from conventional interferometers with linear beam splitters. It is observed that the high-contrast interference fringes are sensitive to the optical phase via a path change as well as the atomic phase via a magnetic field change. This new atom-light correlated hybrid interferometer is a sensitive probe of the atomic internal state and should find wide applications in precision measurement and quantum control with atoms and photons.

  14. Atomic Weights and Isotopic Compositions

    Science.gov (United States)

    SRD 144 Atomic Weights and Isotopic Compositions (Web, free access)   The atomic weights are available for elements 1 through 111, and isotopic compositions or abundances are given when appropriate.

  15. Into the atom and beyond

    CERN Multimedia

    1989-01-01

    Magnifying an atom to football pitch size. The dense nucleus, carrying almost all the atomic mass, is much smaller than the ball. The players (the electrons) would see something about the size of a marble!

  16. Artificial Rydberg atom

    Energy Technology Data Exchange (ETDEWEB)

    Joe, Yong S. [Center for Computational Nanoscience, Department of Physics and Astronomy, Ball State University, Muncie, IN 47306 (United States)], E-mail: ysjoe@bsu.edu; Mkrtchian, Vanik E. [Institute for Physical Research, Armenian Academy of Sciences, Ashtarak-2, 378410, Republic of Armenia (Armenia); Lee, Sun H. [Center for Computational Nanoscience, Department of Physics and Astronomy, Ball State University, Muncie, IN 47306 (United States)

    2009-03-02

    We analyze bound states of an electron in the field of a positively charged nanoshell. We find that the binding and excitation energies of the system decrease when the radius of the nanoshell increases. We also show that the ground and the first excited states of this system have remarkably the same properties of the highly excited Rydberg states of a hydrogen-like atom, i.e., a high sensitivity to the external perturbations and long radiative lifetimes.

  17. Atom Interferometry Progress

    Science.gov (United States)

    1990-04-19

    Casher effect . RECENT PUBLICATION Atom Optics, David W. Keith and David E. Pritchard, New frontiers in QED and Quantumoptics, (Plenum Press, New York...frequencies (< 10 Hz) where the passive system is least effective . The reduction of relative motion provided by the active system will allow us to use much...experimental objective will probably be a demonstration of Berry’s phase with bosons. Another possibility would be an improved measurement of the Aharonov

  18. Atomic emission spectroscopy

    Science.gov (United States)

    Andrew, K. H.

    1975-01-01

    The relationship between the Slater-Condon theory and the conditions within the atom as revealed by experimental data was investigated. The first spectrum of Si, Rb, Cl, Br, I, Ne, Ar, and Xe-136 and the second spectrum of As, Cu, and P were determined. Methods for assessing the phase stability of fringe counting interferometers and the design of an autoranging scanning system for digitizing the output of an infrared spectrometer and recording it on magnetic tape are described.

  19. Strange exotic atoms

    Science.gov (United States)

    Friedman, E.

    1998-08-01

    Exotic atoms of K- and Σ- are analyzed using density-dependent optical potentials constrained by a low-density limit. Emphasis is placed on radial sensitivities of the real potential. A potential depth of 180MeV inside nuclei is confirmed for K-. For Σ- a shallow attractive potential outside the nuclear surface becomes repulsive in the interior. The information content of limited data sets is demonstrated.

  20. Atomic lighthouse effect.

    Science.gov (United States)

    Máximo, C E; Kaiser, R; Courteille, Ph W; Bachelard, R

    2014-11-01

    We investigate the deflection of light by a cold atomic cloud when the light-matter interaction is locally tuned via the Zeeman effect using magnetic field gradients. This "lighthouse" effect is strongest in the single-scattering regime, where deviation of the incident field is largest. For optically dense samples, the deviation is reduced by collective effects, as the increase in linewidth leads to a decrease in magnetic field efficiency.

  1. The Atomic Lighthouse Effect

    CERN Document Server

    Máximo, C E; Courteille, Ph W; Bachelard, R

    2014-01-01

    We investigate the deflection of light by a cold atomic cloud when the light-matter interaction is locally tuned via the Zeeman effect using magnetic field gradients. This "lighthouse" effect is strongest in the single-scattering regime, where deviation of the incident field is largest. For optically dense samples, the deviation is reduced by collective effects, as the increase in linewidth leads to a decrease of the magnetic field efficiency.

  2. Atom-interferometric measurement of Stark level splittings

    CERN Document Server

    Wang, Limei; Zhang, Linjie; Raithel, Georg; Zhao, Jianming; Jia, Suotang

    2015-01-01

    Multiple adiabatic/diabatic passages through avoided crossings in the Stark map of cesium Rydberg atoms are employed as beam splitters and recombiners in an atom-interferometric measurement of energy-level splittings. We subject cold cesium atoms to laser-excitation, electric-field and detection sequences that constitute an (internal-state) atom interferometer. For the read-out of the interferometer we utilize state-dependent collisions, which selectively remove atoms of one kind from the detected signal. We investigate the dependence of the interferometric signal on timing and field parameters, and find good agreement with time-dependent quantum simulations of the interferometer. Fourier analysis of the interferometric signals yield coherence frequencies that agree with corresponding energy-level differences in calculated Stark maps. The method enables spectroscopy of states that are inaccessible to direct laser-spectroscopic observation, due to selection rules, and has applications in field metrology.

  3. Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials

    Science.gov (United States)

    Dutra, José Diogo L.; Filho, Manoel A. M.; Rocha, Gerd B.; Freire, Ricardo O.; Simas, Alfredo M.; Stewart, James J. P.

    2013-01-01

    The recently published Parametric Method number 7, PM7, is the first semiempirical method to be successfully tested by modeling crystal structures and heats of formation of solids. PM7 is thus also capable of producing results of useful accuracy for materials science, and constitutes a great improvement over its predecessor, PM6. In this article, we present Sparkle Model parameters to be used with PM7 that allow the prediction of geometries of metal complexes and materials which contain lanthanide trications. Accordingly, we considered the geometries of 224 high-quality crystallographic structures of complexes for the parameterization set and 395 more for the validation of the parameterization for the whole lanthanide series, from La(III) to Lu(III). The average unsigned error for Sparkle/PM7 for the distances between the metal ion and its coordinating atoms is 0.063Å for all lanthanides, ranging from a minimum of 0.052Å for Tb(III) to 0.088Å for Ce(III), comparable to the equivalent errors in the distances predicted by PM7 for other metals. These distance deviations follow a gamma distribution within a 95% level of confidence, signifying that they appear to be random around a mean, confirming that Sparkle/PM7 is a well-tempered method. We conclude by carrying out a Sparkle/PM7 full geometry optimization of two spatial groups of the same thulium-containing metal organic framework, with unit cells accommodating 376 atoms, of which 16 are Tm(III) cations; the optimized geometries were in good agreement with the crystallographic ones. These results emphasize the capability of the use of the Sparkle Model for the prediction of geometries of compounds containing lanthanide trications within the PM7 semiempirical model, as well as the usefulness of such semiempirical calculations for materials modeling. Sparkle/PM7 is available in the software package MOPAC2012, at no cost for academics and can be obtained from http://openmopac.net. PMID:24163641

  4. Ghost imaging with atoms

    Science.gov (United States)

    Khakimov, R. I.; Henson, B. M.; Shin, D. K.; Hodgman, S. S.; Dall, R. G.; Baldwin, K. G. H.; Truscott, A. G.

    2016-12-01

    Ghost imaging is a counter-intuitive phenomenon—first realized in quantum optics—that enables the image of a two-dimensional object (mask) to be reconstructed using the spatio-temporal properties of a beam of particles with which it never interacts. Typically, two beams of correlated photons are used: one passes through the mask to a single-pixel (bucket) detector while the spatial profile of the other is measured by a high-resolution (multi-pixel) detector. The second beam never interacts with the mask. Neither detector can reconstruct the mask independently, but temporal cross-correlation between the two beams can be used to recover a ‘ghost’ image. Here we report the realization of ghost imaging using massive particles instead of photons. In our experiment, the two beams are formed by correlated pairs of ultracold, metastable helium atoms, which originate from s-wave scattering of two colliding Bose-Einstein condensates. We use higher-order Kapitza-Dirac scattering to generate a large number of correlated atom pairs, enabling the creation of a clear ghost image with submillimetre resolution. Future extensions of our technique could lead to the realization of ghost interference, and enable tests of Einstein-Podolsky-Rosen entanglement and Bell’s inequalities with atoms.

  5. Production of vibrationally excited hydrogen molecules by atom recombination on Cu and W materials.

    Science.gov (United States)

    Markelj, Sabina; Čadež, Iztok

    2011-03-28

    We have measured vibrational population of H(2) and D(2) molecules produced by atom (H or D) recombination on tungsten and copper material. The vibrational spectroscopy, based on the properties of dissociative electron attachment to hydrogen molecule, was used. The vibrationally excited molecules were produced by atom recombination in a cell where the studied sample is exposed to hydrogen atoms, from hot tungsten filament. Vibrational populations were obtained for the studied materials, which can be well described by the Boltzmann distribution, with specific vibrational temperatures for each material. The experimentally obtained vibrational populations for copper approximately agree with the theoretical predictions, whereas the experimentally obtained vibrational temperature for tungsten is higher and thus showing a considerable overpopulation of highly excited vibrational states than predicted. We propose that the origin of this higher excitation is related to the existence of high hydrogen surface coverage on tungsten, where hydrogen is occupying binding sites with different desorption energies. In order to obtain an insight into the recombination mechanism with more than one binding site per unit cell, a Monte Carlo simulation was performed, where it was assumed that the main production of molecules proceeds through the hot-atom recombination with an adsorbed atom. The results show that the recombination proceeds mainly through the weak binding sites, once they are occupied.

  6. Plasmon excitations in the dimers formed by atom chains

    Science.gov (United States)

    Xue, Hong-jie; Hao, Da-peng; Zhang, Ming; Wang, Xiao-mei

    2017-02-01

    Based on the linear response theory in the random-phase approximation and the free-electron gas model, we study the plasmon excitations in the dimers formed by atom chains. With the help of energy absorption spectrum and charge distribution, the evolutions of longitudinal and transverse plasmon, and the effect of the system parameters such as size, atomic separation and electron filling on plasmon are obtained. In addition, the dipole, quadrupole, end and central plasmon are observed.

  7. Modeling Strongly Correlated Fermi Systems Using Ultra-Cold Atoms

    Science.gov (United States)

    2008-06-28

    exceeds the optical scattering rate Γsc). For the lattice described above, the Lamb Dicke parameter ER/hν = 0.12 and the festina lente criterion Γsc...zero entropy ). Initialization of the quantum register for quantum computations requires a gas of neutral atoms in a near-zero- entropy state...zero- entropy state is prepared by selectively removing atoms in the second band from the lattice potential. optical lattice experiments have

  8. Unified approach to nuclear densities from exotic atoms

    Science.gov (United States)

    Friedman, E.

    2009-09-01

    Parameters of nuclear density distributions are derived from least-squares fits to strong interaction observables in exotic atoms. Global analyses of antiprotonic and pionic atoms show reasonably good agreement between the two types of probes regarding the average behaviour of root-mean-square radii of the neutron distributions. Apparent conflict regarding the shape of the neutron distribution is attributed to different radial sensitivities of these two probes.

  9. Atom Chip for Transporting and Merging Magnetically Trapped Atom Clouds

    CERN Document Server

    Hänsel, W; Hommelhoff, P; Hänsch, T W

    2000-01-01

    We demonstrate an integrated magnetic ``atom chip'' which transports cold trapped atoms near a surface with very high positioning accuracy. Time-dependent currents in a lithographic conductor pattern create a moving chain of magnetic potential wells; atoms are transported in these wells while remaining confined in all three dimensions. We achieve fluxes up to 10^6 /s with a negligible heating rate. An extension of this ``atomic conveyor belt'' allows the merging of magnetically trapped atom clouds by unification of two Ioffe-Pritchard potentials. Under suitable conditions, the clouds merge without loss of phase space density. We demonstrate this unification process experimentally.

  10. Current Trends in Atomic Spectroscopy.

    Science.gov (United States)

    Wynne, James J.

    1983-01-01

    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  11. Breaking the atom with Samson

    NARCIS (Netherlands)

    Väänänen, J.; Coecke, B.; Ong, L.; Panangaden, P.

    2013-01-01

    The dependence atom =(x,y) was introduced in [11]. Here x and y are finite sets of attributes (or variables) and the intuitive meaning of =(x,y) is that the attributes x completely (functionally) determine the attributes y. One may wonder, whether the dependence atom is truly an atom or whether it

  12. Atomic collisions involving pulsed positrons

    DEFF Research Database (Denmark)

    Merrison, J. P.; Bluhme, H.; Field, D.

    2000-01-01

    Conventional slow positron beams have been widely and profitably used to study atomic collisions and have been instrumental in understanding the dynamics of ionization. The next generation of positron atomic collision studies are possible with the use of charged particle traps. Not only can large...... of accelerators for producing intense positron pulses will be discussed in the context of atomic physics experiments....

  13. Current Trends in Atomic Spectroscopy.

    Science.gov (United States)

    Wynne, James J.

    1983-01-01

    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  14. Laser trapping of 21Na atoms

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Zheng-Tian [Univ. of California, Berkeley, CA (United States)

    1994-09-01

    This thesis describes an experiment in which about four thousand radioactive 21Na (t1/2 = 22 sec) atoms were trapped in a magneto-optical trap with laser beams. Trapped 21Na atoms can be used as a beta source in a precision measurement of the beta-asymmetry parameter of the decay of 21Na → 21Ne + β+ + ve, which is a promising way to search for an anomalous right-handed current coupling in charged weak interactions. Although the number o trapped atoms that we have achieved is still about two orders of magnitude lower than what is needed to conduct a measurement of the beta-asymmetry parameter at 1% of precision level, the result of this experiment proved the feasibility of trapping short-lived radioactive atoms. In this experiment, 21Na atoms were produced by bombarding 24Mg with protons of 25 MeV at the 88 in. Cyclotron of Lawrence Berkeley Laboratory. A few recently developed techniques of laser manipulation of neutral atoms were applied in this experiment. The 21Na atoms emerging from a heated oven were first transversely cooled. As a result, the on-axis atomic beam intensity was increased by a factor of 16. The atoms in the beam were then slowed down from thermal speed by applying Zeeman-tuned slowing technique, and subsequently loaded into a magneto-optical trap at the end of the slowing path. The last two chapters of this thesis present two studies on the magneto-optical trap of sodium atoms. In particular, the mechanisms of magneto-optical traps at various laser frequencies and the collisional loss mechanisms of these traps were examined.

  15. Parameter Estimation, Model Reduction and Quantum Filtering

    CERN Document Server

    Chase, Bradley A

    2009-01-01

    This dissertation explores the topics of parameter estimation and model reduction in the context of quantum filtering. Chapters 2 and 3 provide a review of classical and quantum probability theory, stochastic calculus and filtering. Chapter 4 studies the problem of quantum parameter estimation and introduces the quantum particle filter as a practical computational method for parameter estimation via continuous measurement. Chapter 5 applies these techniques in magnetometry and studies the estimator's uncertainty scalings in a double-pass atomic magnetometer. Chapter 6 presents an efficient feedback controller for continuous-time quantum error correction. Chapter 7 presents an exact model of symmetric processes of collective qubit systems.

  16. Ab initio atom-atom potentials using CamCASP: Theory

    CERN Document Server

    Misquitta, Alston J

    2015-01-01

    Creating accurate, analytic atom-atom potentials for small organic molecules from first principles can be a time-consuming and computationally intensive task, particularly if we also require them to include explicit polarization terms, which are essential in many systems. In this first part of a two-part investigation, we describe how the CamCASP suite of programs can be used to generate such potentials using some of the most accurate electronic structure methods practically applicable. In particular, we introduce a novel approach to determine the short-range anisotropy parameters by a robust method based on the iterated stockholder atoms approach. In the second part of this work we will apply these methods to develop a series of many-body potentials for the pyridine system.

  17. Two-Pulse Atomic Coherent Control (2PACC) Spectroscopy of Eley-Rideal Reactions. An Application of an Atom Laser

    CERN Document Server

    Jorgensen, S F; Jorgensen, Solvejg; Kosloff, Ronnie

    2003-01-01

    A spectroscopic application of the atom laser is suggested. The spectroscopy termed 2PACC employs the coherent properties of matter-waves from a two pulse atom laser. These waves are employed to control a gas-surface chemical recombination reaction. The method is demonstrated for an Eley-Rideal reaction of a hydrogen or alkali atom-laser pulse where the surface target is an adsorbed hydrogen atom. The reaction yields either a hydrogen or alkali hydride molecule. The desorbed gas phase molecular yield and its internal state is shown to be controlled by the time and phase delay between two atom-laser pulses. The calculation is based on solving the time-dependent Schrodinger equation in a diabatic framework. The probability of desorption which is the predicted 2PACC signal has been calculated as a function of the pulse parameters.

  18. Selective Laser Melting: a regular unit cell approach for the manufacture of porous, titanium, bone in-growth constructs, suitable for orthopedic applications.

    Science.gov (United States)

    Mullen, Lewis; Stamp, Robin C; Brooks, Wesley K; Jones, Eric; Sutcliffe, Christopher J

    2009-05-01

    In this study, a novel porous titanium structure for the purpose of bone in-growth has been designed, manufactured and evaluated. The structure was produced by Selective Laser Melting (SLM); a rapid manufacturing process capable of producing highly intricate, functionally graded parts. The technique described utilizes an approach based on a defined regular unit cell to design and produce structures with a large range of both physical and mechanical properties. These properties can be tailored to suit specific requirements; in particular, functionally graded structures with bone in-growth surfaces exhibiting properties comparable to those of human bone have been manufactured. The structures were manufactured and characterized by unit cell size, strand diameter, porosity, and compression strength. They exhibited a porosity (10-95%) dependant compression strength (0.5-350 Mpa) comparable to the typical naturally occurring range. It is also demonstrated that optimized structures have been produced that possesses ideal qualities for bone in-growth applications and that these structures can be applied in the production of orthopedic devices.

  19. Noninvasive spatial metrology of single-atom devices.

    Science.gov (United States)

    Mohiyaddin, Fahd A; Rahman, Rajib; Kalra, Rachpon; Klimeck, Gerhard; Hollenberg, Lloyd C L; Pla, Jarryd J; Dzurak, Andrew S; Morello, Andrea

    2013-05-01

    The exact location of a single dopant atom in a nanostructure can influence or fully determine the functionality of highly scaled transistors or spin-based devices. We demonstrate here a noninvasive spatial metrology technique, based on the microscopic modeling of three electrical measurements on a single-atom (phosphorus in silicon) spin qubit device: hyperfine coupling, ground state energy, and capacitive coupling to nearby gates. This technique allows us to locate the qubit atom with a precision of ±2.5 nm in two directions and ±15 nm in the third direction, which represents a 1500-fold improvement with respect to the prefabrication statistics obtainable from the ion implantation parameters.

  20. FY2014 Parameters for Helions and Gold Ions in Booster, AGS, and RHIC

    Energy Technology Data Exchange (ETDEWEB)

    Gardner, C. J. [Brookhaven National Lab. (BNL), Upton, NY (United States). Collider-Accelerator Dept.

    2014-08-15

    The nominal parameters for helions (helion is the bound state of two protons and one neutron, the nucleus of a helium-3 atom) and gold ions in Booster, AGS, and RHIC are given for the FY2014 running period. The parameters are found using various formulas to derive mass, helion anomalous g-factor, kinetic parameters, RF parameters, ring parameters, etc..

  1. Nonadiabatic quantum chaos in atom optics

    CERN Document Server

    Prants, S V

    2012-01-01

    Coherent dynamics of atomic matter waves in a standing-wave laser field is studied. In the dressed-state picture, wave packets of ballistic two-level atoms propagate simultaneously in two optical potentials. The probability to make a transition from one potential to another one is maximal when centroids of wave packets cross the field nodes and is given by a simple formula with the single exponent, the Landau--Zener parameter $\\kappa$. If $\\kappa \\gg 1$, the motion is essentially adiabatic. If $\\kappa \\ll 1$, it is (almost) resonant and periodic. If $\\kappa \\simeq 1$, atom makes nonadiabatic transitions with a splitting of its wave packet at each node and strong complexification of the wave function as compared to the two other cases. This effect is referred as nonadiabatic quantum chaos. Proliferation of wave packets at $\\kappa \\simeq 1$ is shown to be connected closely with chaotic center-of-mass motion in the semiclassical theory of point-like atoms with positive values of the maximal Lyapunov exponent. Th...

  2. The collision between two hydrogen atoms

    CERN Document Server

    Ray, Hasi

    2013-01-01

    The electron-electron correlation term in two-atomic collision is the most important, most difficult term to obtain the effective interatomic potential. Generally the H and H collision is a four center problem. It is extremely difficult to compute the electron-electron correlation term to include the effect of exchange or antisymmetry between two system electrons exactly. All the two-atomic collision related theoretical data differ from each other due to its difference in approximating the electron-electron correlation term. I invent a trick to evaluate the term exactly. Earlier the positronium (Ps) and H system was easily approximated as a three center problem due to the light mass of Ps. My new code for H-H collision using the ab-initio and exact static-exchange model (SEM) can reproduce exactly the same data of Ps and H system just by using the appropriate atomic parameters. The success of the present trick makes the foundation of a big monument in cold and low energy atomic collision physics. The Feshbach...

  3. Spontaneous spherical symmetry breaking in atomic confinement

    CERN Document Server

    Sveshnikov, K

    2016-01-01

    The effect of spontaneous breaking of initial SO(3) symmetry is shown to be possible for an H-like atom in the ground state, when it is confined in a spherical box under general boundary conditions of "not going out" through the box surface (i.e. third kind or Robin's ones), for a wide range of physically reasonable values of system parameters. The reason is that such boundary conditions could yield a large magnitude of electronic wavefunction in some sector of the box boundary, what in turn promotes atomic displacement from the box center towards this part of the boundary, and so the underlying SO(3) symmetry spontaneously breaks. The emerging Goldstone modes, coinciding with rotations around the box center, restore the symmetry by spreading the atom over a spherical shell localized at some distances from the box center. Atomic confinement inside the cavity proceeds dynamically -- due to the boundary condition the deformation of electronic wavefunction near the boundary works as a spring, that returns the at...

  4. Ultrasonic atomization: effect of liquid phase properties.

    Science.gov (United States)

    Avvaru, Balasubrahmanyam; Patil, Mohan N; Gogate, Parag R; Pandit, Aniruddha B

    2006-02-01

    Experiments have been conducted to understand the mechanism by which the ultrasonic vibration at the gas liquid interface causes the atomization of liquid. For this purpose, aqueous solutions having different viscosities and liquids showing Newtonian (aqueous solution of glycerin) and non-Newtonian behavior (aqueous solution of sodium salt of carboxy methyl cellulose) were employed. It has been found that the average droplet size produced by the pseudo-plastic liquid is less than that produced by the viscous Newtonian liquid having viscosity equal to zero-shear rate viscosity of the shear thinning liquid. The droplet size was found to increase initially with an increase in the viscosity up to a certain threshold viscosity after which the droplet size was found to decrease again. Also droplet size distribution is found to be more compact (uniform sizes) with an increasing viscosity of the atomizing liquid. The presence of the cavitation and its effect on the atomization has been semi quantitatively confirmed using energy balance and by the measurement of the droplet ejection velocities and validated on the basis of the decomposition of the aqueous KI solution. A correlation has been proposed for the prediction of droplet size for aqueous Newtonian fluids and fluids showing non-Newtonian behavior based on the dimensionless numbers incorporating the operating parameters of the ultrasonic atomizer and the liquid phase physico-chemical properties.

  5. Universal structural parameter to quantitatively predict metallic glass properties.

    Science.gov (United States)

    Ding, Jun; Cheng, Yong-Qiang; Sheng, Howard; Asta, Mark; Ritchie, Robert O; Ma, Evan

    2016-12-12

    Quantitatively correlating the amorphous structure in metallic glasses (MGs) with their physical properties has been a long-sought goal. Here we introduce 'flexibility volume' as a universal indicator, to bridge the structural state the MG is in with its properties, on both atomic and macroscopic levels. The flexibility volume combines static atomic volume with dynamics information via atomic vibrations that probe local configurational space and interaction between neighbouring atoms. We demonstrate that flexibility volume is a physically appropriate parameter that can quantitatively predict the shear modulus, which is at the heart of many key properties of MGs. Moreover, the new parameter correlates strongly with atomic packing topology, and also with the activation energy for thermally activated relaxation and the propensity for stress-driven shear transformations. These correlations are expected to be robust across a very wide range of MG compositions, processing conditions and length scales.

  6. Atomic volume, atomic distances and chemical bonding in solid metallic elements; Atomvolumen, Atomabstaende und chemische Bindung in festen metallischen Elementen

    Energy Technology Data Exchange (ETDEWEB)

    Troemel, M.; Huebner, S. [Frankfurt Univ. (Germany). Inst. fuer Anorganische Chemie

    2001-05-01

    Relationships between bond lengths and bond numbers and also between atomic volumes and valencies are derived and parameters for their calculation are given for the s-block, p-block, and d-block metals. From the atomic volumes under pressure, the valencies of three solid lanthanoids have been confirmed or redetermined: La 3; Ce 2, 3, and 4; Yb 2 and 3. (orig.)

  7. Cavity-mediated entanglement between distant atoms: Effect of spatial dispersion

    Energy Technology Data Exchange (ETDEWEB)

    Brouard, S., E-mail: sbrouard@ull.e [Departamento de Fisica Fundamental II, Universidad de La Laguna, La Laguna E38204, Tenerife (Spain); Instituto Universitario de Estudios Avanzados (IUdEA) en Fisica Atomica, Molecular y Fotonica, Universidad de La Laguna, La Laguna E38204, Tenerife (Spain); Martinez, R. [Departamento de Fisica Fundamental II, Universidad de La Laguna, La Laguna E38204, Tenerife (Spain)

    2011-04-11

    The decoherence effect of spatial atomic dispersion on entangled states prepared between two non-interacting atoms that pass through a resonant electromagnetic cavity is studied in detail. Entanglement is shown to oscillate with the atom-field interaction time with an amplitude that decays due to inhomogeneous coupling strength. An upper bound for the entanglement that can be obtained using this procedure is introduced and evaluated numerically for different sets of system parameters. This magnitude depends solely on the overlap between atomic wavefunctions evolved according to two different atom-field interactions. Analytical expressions for the associated decay rate are obtained under different approximations. - Highlights: Preparation of entangled atomic states mediated by a resonant electromagnetic cavity. Decoherent effect of spatial atomic dispersion is studied. Entanglement is evaluated for different sets of system parameters. An upper bound for the entanglement achievable is introduced and discussed. Different analytical approximations for the decay rate are presented.

  8. Schwinger pair production with ultracold atoms

    Directory of Open Access Journals (Sweden)

    V. Kasper

    2016-09-01

    Full Text Available We consider a system of ultracold atoms in an optical lattice as a quantum simulator for electron–positron pair production in quantum electrodynamics (QED. For a setup in one spatial dimension, we investigate the nonequilibrium phenomenon of pair production including the backreaction leading to plasma oscillations. Unlike previous investigations on quantum link models, we focus on the infinite-dimensional Hilbert space of QED and show that it may be well approximated by experiments employing Bose–Einstein condensates interacting with fermionic atoms. Numerical calculations based on functional integral techniques give a unique access to the physical parameters required to realize QED phenomena in a cold atom experiment. In particular, we use our approach to consider quantum link models in a yet unexplored parameter regime and give bounds for their ability to capture essential features of the physics. The results suggest a paradigmatic change towards realizations using coherent many-body states for quantum simulations of high-energy particle physics phenomena.

  9. Proposed chiral texture of the magnetic moments of unit-cell loop currents in the pseudogap phase of cuprate superconductors.

    Science.gov (United States)

    Pershoguba, Sergey S; Kechedzhi, Kostyantyn; Yakovenko, Victor M

    2013-07-26

    We propose a novel chiral order parameter to explain the unusual polar Kerr effect in underdoped cuprates. It is based on the loop-current model by Varma, which is characterized by the in-plane anapole moment N and exhibits the magnetoelectric effect. We propose a helical structure where the vector N(n) in the layer n is twisted by the angle π/2 relative to N(n-1), thus breaking inversion symmetry. We show that coupling between magnetoelectric terms in the neighboring layers for this structure produces optical gyrotropy, which results in circular dichroism and the polar Kerr effect.

  10. Topics in atomic collision theory

    CERN Document Server

    Geltman, Sydney; Brueckner, Keith A

    1969-01-01

    Topics in Atomic Collision Theory originated in a course of graduate lectures given at the University of Colorado and at University College in London. It is recommended for students in physics and related fields who are interested in the application of quantum scattering theory to low-energy atomic collision phenomena. No attention is given to the electromagnetic, nuclear, or elementary particle domains. The book is organized into three parts: static field scattering, electron-atom collisions, and atom-atom collisions. These are in the order of increasing physical complexity and hence necessar

  11. Atom lens without chromatic aberrations

    CERN Document Server

    Efremov, Maxim A; Schleich, Wolfgang P

    2012-01-01

    We propose a lens for atoms with reduced chromatic aberrations and calculate its focal length and spot size. In our scheme a two-level atom interacts with a near-resonant standing light wave formed by two running waves of slightly different wave vectors, and a far-detuned running wave propagating perpendicular to the standing wave. We show that within the Raman-Nath approximation and for an adiabatically slow atom-light interaction, the phase acquired by the atom is independent of the incident atomic velocity.

  12. Effects of dark atom excitations

    CERN Document Server

    Cudell, Jean-René; Wallemacq, Quentin

    2014-01-01

    New stable quarks and charged leptons may exist and be hidden from detection, as they are bound by Coulomb interaction in neutral dark atoms of composite dark matter. This possibility leads to fundamentally new types of indirect effects related to the excitation of such dark atoms followed by their electromagnetic de-excitation. Stable -2 charged particles, bound to primordial helium in O-helium (OHe) atoms, represent the simplest model of dark atoms. Here we consider the structure of OHe atomic levels which is a necessary input for the indirect tests of such composite dark matter scenarios, and we give the spectrum of electromagnetic transitions from the levels excited in OHe collisions.

  13. Cold atoms close to surfaces

    DEFF Research Database (Denmark)

    Krüger, Peter; Wildermuth, Stephan; Hofferberth, Sebastian

    2005-01-01

    Microscopic atom optical devices integrated on atom chips allow to precisely control and manipulate ultra-cold (T atoms and Bose-Einstein condensates (BECs) close to surfaces. The relevant energy scale of a BEC is extremely small (down to ... be utilized as a sensor for variations of the potential energy of the atoms close to the surface. Here we describe how to use trapped atoms as a measurement device and analyze the performance and flexibility of the field sensor. We demonstrate microscopic magnetic imaging with simultaneous high spatial...

  14. Doping of Semiconducting Atomic Chains

    Science.gov (United States)

    Toshishige, Yamada; Kutler, Paul (Technical Monitor)

    1997-01-01

    Due to the rapid progress in atom manipulation technology, atomic chain electronics would not be a dream, where foreign atoms are placed on a substrate to form a chain, and its electronic properties are designed by controlling the lattice constant d. It has been shown theoretically that a Si atomic chain is metallic regardless of d and that a Mg atomic chain is semiconducting or insulating with a band gap modified with d. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along the chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of dopant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

  15. Heat transport through atomic contacts.

    Science.gov (United States)

    Mosso, Nico; Drechsler, Ute; Menges, Fabian; Nirmalraj, Peter; Karg, Siegfried; Riel, Heike; Gotsmann, Bernd

    2017-02-06

    Heat transport and dissipation at the nanoscale severely limit the scaling of high-performance electronic devices and circuits. Metallic atomic junctions serve as model systems to probe electrical and thermal transport down to the atomic level as well as quantum effects that occur in one-dimensional (1D) systems. Whereas charge transport in atomic junctions has been studied intensively in the past two decades, heat transport remains poorly characterized because it requires the combination of a high sensitivity to small heat fluxes and the formation of stable atomic contacts. Here we report heat-transfer measurements through atomic junctions and analyse the thermal conductance of single-atom gold contacts at room temperature. Simultaneous measurements of charge and heat transport reveal the proportionality of electrical and thermal conductance, quantized with the respective conductance quanta. This constitutes a verification of the Wiedemann-Franz law at the atomic scale.

  16. Atomic mechanics of solids

    CERN Document Server

    MacPherson, A K

    1990-01-01

    This volume brings together some of the presently available theoretical techniques which will be useful in the design of solid-state materials. At present, it is impossible to specify the atomic composition of a material and its macroscopic physical properties. However, the future possibilities for such a science are being laid today. This is coming about due to the development of fast, cheap computers which will be able to undertake the calculations which are necessary.Since this field of science is fairly new, it is not yet quite clear which direction of analysis will eventually prov

  17. Atomic data for fusion

    Energy Technology Data Exchange (ETDEWEB)

    Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A. (eds.); Barnett, C.F.

    1990-07-01

    This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research.

  18. Atom Probe Tomography 2012

    Science.gov (United States)

    Kelly, Thomas F.; Larson, David J.

    2012-08-01

    In the world of tomographic imaging, atom probe tomography (APT) occupies the high-spatial-resolution end of the spectrum. It is highly complementary to electron tomography and is applicable to a wide range of materials. The current state of APT is reviewed. Emphasis is placed on applications and data analysis as they apply to many fields of research and development including metals, semiconductors, ceramics, and organic materials. We also provide a brief review of the history and the instrumentation associated with APT and an assessment of the existing challenges in the field.

  19. Achieving atomic resolution

    Directory of Open Access Journals (Sweden)

    John Spence

    2002-04-01

    Full Text Available The discovery of the nanotube in 19915 by high resolution electron microscopy (HREM, following closely on the discovery of fullerenes, has initiated a new field of science known as nanoscience. (In fact the fullerene buckyball itself was first observed in 1980, by HREM1. While nanoscience now spans many disciplines, from molecular biology to quantum computing, for all of them, the HREM technique has become the indispensable tool for analyzing the atomic structure of individual bulk nanostructural elements. However this method has long been the technique of choice whenever questions of microstructural characterization arise in materials science.

  20. Electron collisions with coherently prepared atomic targets

    Energy Technology Data Exchange (ETDEWEB)

    Trajmar, S.; Kanik, I.; LeClair, L.R.; Khakoo, M.S. [California Inst. of Tech., Pasadena, CA (United States). Jet Propulsion Lab.; Bray, I.; Fursa, D. [Flinders Univ. of South Australia, Adelaide (Australia). Electronics Structure of Materials Centre; Csanak, G. [Los Alamos National Lab., NM (United States)

    1998-02-01

    The subject of electron scattering by laser-excited atoms is briefly reviewed. To demonstrate some aspects of these electron collision processes, the authors describe the procedures and the results of a joint experimental and theoretical study concerning elastic scattering by coherently excited {sup 138}Ba (...6s6p {sup 1}P{sub 1}) atoms. Examples of experimental and theoretical collision parameters and magnetic sublevel differential cross sections for elastic scattering are given and compared. The convergent close coupling calculations (with the neglect of spin-orbit interaction) are in good agreement with experiment at 20 eV impact energy and 10, 15 and 20{degree} scattering angles and can be expected to yield reliable integral magnetic sublevel and alignment creation cross sections. The role of these quantities in plasma polarization spectroscopy is pointed out.

  1. Isotope effects of hydrogen and atom tunnelling

    Science.gov (United States)

    Buchachenko, A. L.; Pliss, E. M.

    2016-06-01

    The abnormally high mass-dependent isotope effects in liquid-phase hydrogen (deuterium) atom transfer reactions, which are customarily regarded as quantum effects, are actually the products of two classical effects, namely, kinetic and thermodynamic ones. The former is determined by the rate constants for atom transfer and the latter is caused by nonbonded (or noncovalent) isotope effects in the solvation of protiated and deuterated reacting molecules. This product can mimic the large isotope effects that are usually attributed to tunnelling. In enzymatic reactions, tunnelling is of particular interest; its existence characterizes an enzyme as a rigid molecular machine in which the residence time of reactants on the reaction coordinate exceeds the waiting time for the tunnelling event. The magnitude of isotope effect becomes a characteristic parameter of the internal dynamics of the enzyme catalytic site. The bibliography includes 61 references.

  2. Scanning Josephson spectroscopy on the atomic scale

    Science.gov (United States)

    Randeria, Mallika T.; Feldman, Benjamin E.; Drozdov, Ilya K.; Yazdani, Ali

    2016-04-01

    The Josephson effect provides a direct method to probe the strength of the pairing interaction in superconductors. By measuring the phase fluctuating Josephson current between a superconducting tip of a scanning tunneling microscope and a BCS superconductor with isolated magnetic adatoms on its surface, we demonstrate that the spatial variation of the pairing order parameter can be characterized on the atomic scale. This system provides an example where the local pairing potential suppression is not directly reflected in the spectra measured via quasiparticle tunneling. Spectroscopy with such superconducting tips also shows signatures of previously unexplored Andreev processes through individual impurity-bound Shiba states. The atomic resolution achieved here establishes scanning Josephson spectroscopy as a promising technique for the study of novel superconducting phases.

  3. Boson Josephson Junction with Trapped Atoms

    Science.gov (United States)

    Raghavan, S.; Smerzi, A.; Fantoni, S.; Shenoy, S. R.

    We consider coherent atomic tunneling between two weakly coupled Bose-Einstein condensates at T=0 in a double-well trap. The condensate dynamics of the macroscopic amplitudes in the two wells is modeled by two Gross-Pitaevskii equations (GPE) coupled by a tunneling matrix element. Analytic elliptic function solutions are obtained for the time evolution of the inter-well fractional population imbalance z(t) (related to the condensate phase difference) of the Boson Josephson junction (BJJ). Surprisingly, the neutral-atom BJJ shows (non-sinusoidal generalizations of) effects seen in charged-electron superconductor Josephson junctions (SJJ). The BJJ elliptic-function behavior has a singular dependence on a GPE parameter ratio Λ at a critical ratio Λ=Λc, beyond which a novel 'macroscopic quantum self-trapping' effect sets in with a non-zero time-averaged imbalance ≠0.

  4. Atom addition reactions in interstellar ice analogues

    CERN Document Server

    Linnartz, Harold; Fedoseev, Gleb

    2015-01-01

    This review paper summarizes the state-of-the-art in laboratory based interstellar ice chemistry. The focus is on atom addition reactions, illustrating how water, carbon dioxide and methanol can form in the solid state at astronomically relevant temperatures, and also the formation of more complex species such as hydroxylamine, an important prebiotic molecule, and glycolaldehyde, the smallest sugar, is discussed. These reactions are particularly relevant during the dark ages of star and planet formation, i.e., when the role of UV light is restricted. A quantitative characterization of such processes is only possible through dedicated laboratory studies, i.e., under full control of a large set of parameters such as temperature, atom-flux, and ice morphology. The resulting numbers, physical and chemical constants, e.g., barrier heights, reaction rates and branching ratios, provide information on the molecular processes at work and are needed as input for astrochemical models, in order to bridge the timescales t...

  5. Effect of Cu Content on Atomic Positions of Ti50Ni50−xCux Shape Memory Alloys Based on Density Functional Theory Calculations

    Directory of Open Access Journals (Sweden)

    Liangliang Gou

    2015-11-01

    Full Text Available The study of crystal structures in shape memory alloys is of fundamental importance for understanding the shape memory effect. In order to investigate the mechanism of how Cu content affects martensite crystal structures of TiNiCu alloys, the present research examines the atomic displacement of Ti50Ni50−xCux (x = 0, 5, 12.5, 15, 18.75, 20, 25 shape memory alloys using density functional theory (DFT. By the introduction of Cu atoms into TiNi martensite crystal to replace Ni, the displacements of Ti and Ni/Cu atoms along the x-axis are obvious, but they are minimal along the y- and z-axes. It is found that along the x-axis, the two Ti atoms in the unit cell move in opposite directions, and the same occurred with the two Ni/Cu atoms. With increasing Cu content, the distance between the two Ni/Cu atoms increases while the Ti atoms draw closer along the x-axis, leading to a rotation of the (100 plane, which is responsible for the decrease in the monoclinic angle. It is also found that the displacements of both Ti atoms and Ni/Cu atoms along the x-axis are progressive, which results in a gradual change of monoclinic angle and a transition to B19 martensite crystal structure.

  6. The Definition Method and Optimization of Atomic Strain Tensors for Nuclear Power Engineering Materials

    Directory of Open Access Journals (Sweden)

    Xiangguo Zeng

    2016-01-01

    Full Text Available A common measure of deformation between atomic scale simulations and the continuum framework is provided and the strain tensors for multiscale simulations are defined in this paper. In order to compute the deformation gradient of any atom m, the weight function is proposed to eliminate the different contributions within the neighbor atoms which have different distances to atom m, and the weighted least squares error optimization model is established to seek the optimal coefficients of the weight function and the optimal local deformation gradient of each atom. The optimization model involves more than 9 parameters. To guarantee the reliability of subsequent parameters identification result and lighten the calculation workload of parameters identification, an overall analysis method of parameter sensitivity and an advanced genetic algorithm are also developed.

  7. An atom counting and electrophilicity based QSTR approach

    Indian Academy of Sciences (India)

    P K Chattara; D R Roy; S Giri; S Mukherjee; V Subramanian; R Parthasarathi; P Bultinck; S Van Damme

    2007-09-01

    Quantitative-structure-toxicity-relationship (QSTR) models are developed for predicting the toxicity (pIGC50) of 252 aliphatic compounds on Tetrahymena pyriformis. The single parameter models with a simple molecular descriptor, the number of atoms in the molecule, provide reasonable results. Better QSTR models with two parameters result when global electrophilicity is used as the second descriptor. In order to tackle both charge- and frontier-controlled reactions the importance of the local electro (nucleo) philicities and atomic charges is also analysed.

  8. Atoms in the counter-propagating frequency-modulated waves: splitting, cooling, confinement

    Science.gov (United States)

    Romanenko, Victor I.; Kornilovska, Nataliya V.

    2017-09-01

    We show that the counter-propagating frequency-modulated (FM) waves of the same intensity can split an orthogonal atomic beam into two beams. We calculate the temperature of the atomic ensemble for the case when the atoms are grouped around zero velocity in the direction of the waves propagation. The high-intensity laser radiation with a properly chosen carrier frequency can form a one-dimensional trap for atoms. We carry out the numerical simulation of the atomic motion (two-level model of the atom-field interaction) using parameters appropriate for sodium atoms and show that sub-Doppler cooling can be reached. We suppose that such a cooling is partly based on the cooling without spontaneous emission in polychromatic waves [H. Metcalf, Phys. Rev. A 77, 061401 (2008)]. We calculate the state of the atom in the field by the Monte Carlo wave-function method and describe its mechanical motion by the classical mechanics.

  9. On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules.

    Science.gov (United States)

    Bhattacharjee, Rituparna; Roy, Ram Kinkar

    2014-10-28

    In the present study, trends of electronic contribution to molecular electrostatic potential [Vel(r¯)(r=0)], Fukui potential [v(+)f|(r=0) and v(-)f|(r=0)] and hardness potential derivatives [Δ(+)h(k) and Δ(-)h(k)] for isolated atoms as well as atoms in molecules are investigated. The generated numerical values of these three reactivity descriptors in these two electronically different situations are critically analyzed through the relevant formalism. Values of Vel(r¯) (when r → 0, i.e., on the nucleus) are higher for atoms in molecules than that of isolated atoms. In contrast, higher values of v(+)|(r=0) and v(-)|(r=0) are observed for isolated atoms compared to the values for atoms in a molecule. However, no such regular trend is observed for the Δ(+)h(k) and Δ(-)h(k) values, which is attributed to the uncertainty in the Fukui function values of atoms in molecules. The sum of Fukui potential and the sum of hardness potential derivatives in molecules are also critically analyzed, which shows the efficacy of orbital relaxation effects in quantifying the values of these parameters. The chemical consequence of the observed trends of these descriptors in interpreting electron delocalization, electronic relaxation and non-negativity of atomic Fukui function indices is also touched upon. Several commonly used molecules containing carbon as well as heteroatoms are chosen to make the investigation more insightful.

  10. Neuromorphic atomic switch networks.

    Directory of Open Access Journals (Sweden)

    Audrius V Avizienis

    Full Text Available Efforts to emulate the formidable information processing capabilities of the brain through neuromorphic engineering have been bolstered by recent progress in the fabrication of nonlinear, nanoscale circuit elements that exhibit synapse-like operational characteristics. However, conventional fabrication techniques are unable to efficiently generate structures with the highly complex interconnectivity found in biological neuronal networks. Here we demonstrate the physical realization of a self-assembled neuromorphic device which implements basic concepts of systems neuroscience through a hardware-based platform comprised of over a billion interconnected atomic-switch inorganic synapses embedded in a complex network of silver nanowires. Observations of network activation and passive harmonic generation demonstrate a collective response to input stimulus in agreement with recent theoretical predictions. Further, emergent behaviors unique to the complex network of atomic switches and akin to brain function are observed, namely spatially distributed memory, recurrent dynamics and the activation of feedforward subnetworks. These devices display the functional characteristics required for implementing unconventional, biologically and neurally inspired computational methodologies in a synthetic experimental system.

  11. Delay in atomic photoionization

    CERN Document Server

    Kheifets, A S

    2010-01-01

    We analyze the time delay between emission of photoelectrons from the outer valence $ns$ and $np$ sub-shells in noble gas atoms following absorption of an attosecond XUV pulse. By solving the time dependent Schr\\"odinger equation and carefully examining the time evolution of the photoelectron wave packet, we establish the apparent "time zero" when the photoelectron leaves the atom. Various processes such as elastic scattering of the photoelectron on the parent ion and many-electron correlation affect the quantum phase of the dipole transition matrix element, the energy dependence of which defines the emission timing. This qualitatively explains the time delay between photoemission from the $2s$ and $2p$ sub-shells of Ne as determined experimentally by attosecond streaking [{\\em Science} {\\bf 328}, 1658 (2010)]. However, with our extensive numerical modeling, we were only able to account for less than a half of the measured time delay of $21\\pm5$~as. We argue that the XUV pulse alone cannot produce such a larg...

  12. Ghost Imaging with Atoms

    CERN Document Server

    Khakimov, R I; Shin, D K; Hodgman, S S; Dall, R G; Baldwin, K G H; Truscott, A G

    2016-01-01

    Ghost imaging is a technique -- first realized in quantum optics -- in which the image emerges from cross-correlation between particles in two separate beams. One beam passes through the object to a bucket (single-pixel) detector, while the second beam's spatial profile is measured by a high resolution (multi-pixel) detector but never interacts with the object. Neither detector can reconstruct the image independently. However, until now ghost imaging has only been demonstrated with photons. Here we report the first realisation of ghost imaging of an object using massive particles. In our experiment, the two beams are formed by correlated pairs of ultracold metastable helium atoms, originating from two colliding Bose-Einstein condensates (BECs) via $s$-wave scattering. We use the higher-order Kapitza-Dirac effect to generate the large number of correlated atom pairs required, enabling the creation of a ghost image with good visibility and sub-millimetre resolution. Future extensions could include ghost interfe...

  13. Cold atoms in a rotating optical lattice

    Science.gov (United States)

    Foot, Christopher J.

    2009-05-01

    We have demonstrated a novel experimental arrangement which can rotate a two-dimensional optical lattice at frequencies up to several kilohertz. Our arrangement also allows the periodicity of the optical lattice to be varied dynamically, producing a 2D ``accordion lattice'' [1]. The angles of the laser beams are controlled by acousto-optic deflectors and this allows smooth changes with little heating of the trapped cold (rubidium) atoms. We have loaded a BEC into lattices with periodicities ranging from 1.8μm to 18μm, observing the collapse and revival of the diffraction orders of the condensate over a large range of lattice parameters as recently reported by a group in NIST [2]. We have also imaged atoms in situ in a 2D lattice over a range of lattice periodicities. Ultracold atoms in a rotating lattice can be used for the direct quantum simulation of strongly correlated systems under large effective magnetic fields, i.e. the Hamiltonian of the atoms in the rotating frame resembles that of a charged particle in a strong magnetic field. In the future, we plan to use this to investigate a range of phenomena such as the analogue of the fractional quantum Hall effect. [4pt] [1] R. A. Williams, J. D. Pillet, S. Al-Assam, B. Fletcher, M. Shotter, and C. J. Foot, ``Dynamic optical lattices: two-dimensional rotating and accordion lattices for ultracold atoms,'' Opt. Express 16, 16977-16983 (2008) [0pt] [2] J. H. Huckans, I. B. Spielman, B. Laburthe Tolra, W. D. Phillips, and J. V. Porto, Quantum and Classical Dynamics of a BEC in a Large-Period Optical Lattice, arXiv:0901.1386v1

  14. Atom-by-atom assembly of defect-free one-dimensional cold atom arrays

    Science.gov (United States)

    Endres, Manuel; Bernien, Hannes; Keesling, Alexander; Levine, Harry; Anschuetz, Eric R.; Krajenbrink, Alexandre; Senko, Crystal; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail D.

    2016-11-01

    The realization of large-scale fully controllable quantum systems is an exciting frontier in modern physical science. We use atom-by-atom assembly to implement a platform for the deterministic preparation of regular one-dimensional arrays of individually controlled cold atoms. In our approach, a measurement and feedback procedure eliminates the entropy associated with probabilistic trap occupation and results in defect-free arrays of more than 50 atoms in less than 400 milliseconds. The technique is based on fast, real-time control of 100 optical tweezers, which we use to arrange atoms in desired geometric patterns and to maintain these configurations by replacing lost atoms with surplus atoms from a reservoir. This bottom-up approach may enable controlled engineering of scalable many-body systems for quantum information processing, quantum simulations, and precision measurements.

  15. A kilobyte rewritable atomic memory

    Science.gov (United States)

    Kalff, F. E.; Rebergen, M. P.; Fahrenfort, E.; Girovsky, J.; Toskovic, R.; Lado, J. L.; Fernández-Rossier, J.; Otte, A. F.

    2016-11-01

    The advent of devices based on single dopants, such as the single-atom transistor, the single-spin magnetometer and the single-atom memory, has motivated the quest for strategies that permit the control of matter with atomic precision. Manipulation of individual atoms by low-temperature scanning tunnelling microscopy provides ways to store data in atoms, encoded either into their charge state, magnetization state or lattice position. A clear challenge now is the controlled integration of these individual functional atoms into extended, scalable atomic circuits. Here, we present a robust digital atomic-scale memory of up to 1 kilobyte (8,000 bits) using an array of individual surface vacancies in a chlorine-terminated Cu(100) surface. The memory can be read and rewritten automatically by means of atomic-scale markers and offers an areal density of 502 terabits per square inch, outperforming state-of-the-art hard disk drives by three orders of magnitude. Furthermore, the chlorine vacancies are found to be stable at temperatures up to 77 K, offering the potential for expanding large-scale atomic assembly towards ambient conditions.

  16. Transmission probability of the two-mode mazer with injected atomic coherence

    Institute of Scientific and Technical Information of China (English)

    袁春华; 张智明

    2005-01-01

    The transmission probability of the two-mode mazer injected with V-type three-level atoms is studied, and the effects of the atomic coherence on it are examined. It is shown that the atomic coherence can affect the transmission probability. In the plots of the atomic transmission probability versus the dimensionless centre-of-mass momentum, there are resonance peaks and non-resonance platforms. The heights of these resonance peaks and non-resonance platforms can be adjusted by the atomic coherence parameter and by the relative coupling strength of the two transition channels.

  17. Quantum manipulation and enhancement of deterministic entanglement between atomic ensemble and light via coherent feedback control

    Science.gov (United States)

    Yan, Zhihui; Jia, Xiaojun

    2017-06-01

    A quantum mechanical model of the non-measurement based coherent feedback control (CFC) is applied to deterministic atom-light entanglement with imperfect retrieval efficiency, which is generated based on Raman process. We investigate the influence of different experimental parameters on entanglement property of CFC Raman system. By tailoring the transmissivity of coherent feedback controller, it is possible to manipulate the atom-light entanglement. Particularly, we show that CFC allows atom-light entanglement enhancement under appropriate operating conditions. Our work can provide entanglement source between atomic ensemble and light of high quality for high-fidelity quantum networks and quantum computation based on atomic ensemble.

  18. Spin squeezing and entanglement via hole-burning in atomic coherent states

    Energy Technology Data Exchange (ETDEWEB)

    Gerry, Christopher C. [Department of Physics and Astronomy, Lehman College, City University of New York, Bronx, NY 10468-1589 (United States)], E-mail: christopher.gerry@lehman.cuny.edu; Peart, Mark [Department of Physics and Astronomy, Lehman College, City University of New York, Bronx, NY 10468-1589 (United States)

    2008-10-20

    We study the generation of spin squeezing via the hole burning of selected Dicke states out of an atomic coherent state prepared for a collection of N two-level atoms or ions. The atoms or ions of the atomic coherent state are not entangled, but the removal of one or more Dicke states generates entanglement, and spin squeezing occurs for some ranges of the relevant parameters. Spin squeezing in a collection of two-level atoms or ions is of importance for precision spectroscopy.

  19. Can Atomic Force Microscopy Achieve Atomic Resolution in Contact Mode?

    Science.gov (United States)

    Jarvis, M. R.; Pérez, Rubén; Payne, M. C.

    2001-02-01

    Atomic force microscopy operating in the contact mode is studied using total-energy pseudopotential calculations. It is shown that, in the case of a diamond tip and a diamond surface, it is possible for a tip terminated by a single atom to sustain forces in excess of 30 nN. It is also shown that imaging at atomic resolution may be limited by blunting of the tip during lateral scanning.

  20. Application of atomic Hirshfeld surface analysis to intermetallic systems: is Mn in cubic CeMnNi4 a thermoelectric rattler atom?

    Science.gov (United States)

    Jørgensen, Mads R V; Skovsen, Iben; Clausen, Henrik F; Mi, Jian-Li; Christensen, Mogens; Nishibori, Eiji; Spackman, Mark A; Iversen, Bo B

    2012-02-06

    The Mn atom in the cubic polymorph of CeMnNi(4) appears to be located in an oversized cage-like structure, and anomalously large atomic displacement parameters (ADPs) for the Mn atom indicate that it is a potential "rattler" atom. Here, multitemperature synchrotron powder X-ray diffraction data measured between 110 and 900 K are used to estimate ADPs for the Mn "guest" atom and the "host" structure atoms in cubic CeMnNi(4). The ADPs are subsequently fitted with Debye and Einstein models, giving Θ(D) = 301(2) K for the "host" structure and Θ(E) = 165(2) K for the Mn atom. This is higher than typical Einstein temperatures for rattlers in thermoelectric skutterudites and clathrates (Θ(E) = 50-80 K), indicating that the Mn atom in cubic CeMnNi(4) is more strongly bonded. In order to probe the chemical interactions of the potential Mn rattler atom, atomic Hirshfeld surface (AHS) analysis is carried out and compared with AHS analysis of well-established guest atom rattlers in archetypical skutterudites, MCoSb(3). Surprisingly, the skutterudite rattlers have more deformed AHSs than the Mn atom in cubic CeMnNi(4). This is related to the highly ionic nature of the skutterudite rattlers, which is not taken into account in the neutral spherical atom approach of the AHS. Additionally, visualization of void spaces in the two materials using the procrystal electron density shows that while the Mn atom is tightly fitting in the CeMnNi(4) structure then the La atom in the skutterudite is truly situated in an oversized cage of the host structure. Overall, we conclude that the Mn atom in cubic CeMnNi(4) cannot be coined a rattler.