WorldWideScience

Sample records for surface atomic distribution

  1. Spatial and energy distributions of satellite-speed helium atoms reflected from satellite-type surfaces

    International Nuclear Information System (INIS)

    Liu, S.M.; Rodgers, W.E.; Knuth, E.L.

    1977-01-01

    Interactions of satellite-speed helium atoms (accelerated in an expansion from an arc-heated supersonic-molecular-beam source) with practical satellite surfaces have been investigated experimentally. The density and energy distributions of the scattered atoms were measured using a detection system developed for this study. This detection system includes (a) a target positioning mechanism, (b) a detector rotating mechanism, and (c) a mass spectrometer and/or a retarding-field energy analyzer. (Auth.)

  2. Angular distribution of sputtered atoms from Al-Sn alloy and surface topography

    International Nuclear Information System (INIS)

    Wang Zhenxia; Pan Jisheng; Zhang Jiping; Tao Zhenlan

    1992-01-01

    If an alloy is sputtered the angular distribution of the sputtered atoms can be different for each component. At high ion energies in the range of linear cascade theory, different energy distributions for components of different mass in the solid are predicted. Upon leaving the surface, i.e. overcoming the surface binding energy, these differences should show up in different angular distributions. Differences in the angular distribution are of much practical interest, for example, in thin-film deposition by sputtering and surface analysis by secondary-ion mass spectroscopy and Auger electron spectroscopy. Recently our experimental work has shown that for Fe-W alloy the surface microtopography becomes dominant and determines the shape of the angular distribution of the component. However, with the few experimental results available so far it is too early to draw any general conclusions for the angular distribution of the sputtered constituents. Thus, the aim of this work was to study further the influence of the surface topography on the shape of the angular distribution of sputtered atoms from an Al-Sn alloy. (Author)

  3. Charge-state distribution of MeV He ions scattered from the surface atoms

    International Nuclear Information System (INIS)

    Kimura, Kenji; Ohtsuka, Hisashi; Mannami, Michihiko

    1993-01-01

    The charge-state distribution of 500-keV He ions scattered from a SnTe (001) surface has been investigated using a new technique of high-resolution high-energy ion scattering spectroscopy. The observed charge-state distribution of ions scattered from the topmost atomic layer coincides with that of ions scattered from the subsurface region and does not depend on the incident charge state but depends on the exit angle. The observed exit-angle dependence is explained by a model which includes the charge-exchange process with the valence electrons in the tail of the electron distribution at the surface. (author)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-01-14

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

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

    Science.gov (United States)

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

    2014-01-14

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

  6. Atomic-level spatial distributions of dopants on silicon surfaces: toward a microscopic understanding of surface chemical reactivity

    Science.gov (United States)

    Hamers, Robert J.; Wang, Yajun; Shan, Jun

    1996-11-01

    We have investigated the interaction of phosphine (PH 3) and diborane (B 2H 6) with the Si(001) surface using scanning tunneling microscopy, infrared spectroscopy, and ab initio molecular orbital calculations. Experiment and theory show that the formation of PSi heterodimers is energetically favorable compared with formation of PP dimers. The stability of the heterodimers arises from a large strain energy associated with formation of PP dimers. At moderate P coverages, the formation of PSi heterodimers leaves the surface with few locations where there are two adjacent reactive sites. This in turn modifies the chemical reactivity toward species such as PH 3, which require only one site to adsorb but require two adjacent sites to dissociate. Boron on Si(001) strongly segregates into localized regions of high boron concentration, separated by large regions of clean Si. This leads to a spatially-modulated chemical reactivity which during subsequent growth by chemical vapor deposition (CVD) leads to formation of a rough surface. The implications of the atomic-level spatial distribution of dopants on the rates and mechanisms of CVD growth processes are discussed.

  7. Atom-surface potentials and atom interferometry

    International Nuclear Information System (INIS)

    Babb, J.F.

    1998-01-01

    Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

  8. Predicting Ligand Binding Sites on Protein Surfaces by 3-Dimensional Probability Density Distributions of Interacting Atoms

    Science.gov (United States)

    Jian, Jhih-Wei; Elumalai, Pavadai; Pitti, Thejkiran; Wu, Chih Yuan; Tsai, Keng-Chang; Chang, Jeng-Yih; Peng, Hung-Pin; Yang, An-Suei

    2016-01-01

    Predicting ligand binding sites (LBSs) on protein structures, which are obtained either from experimental or computational methods, is a useful first step in functional annotation or structure-based drug design for the protein structures. In this work, the structure-based machine learning algorithm ISMBLab-LIG was developed to predict LBSs on protein surfaces with input attributes derived from the three-dimensional probability density maps of interacting atoms, which were reconstructed on the query protein surfaces and were relatively insensitive to local conformational variations of the tentative ligand binding sites. The prediction accuracy of the ISMBLab-LIG predictors is comparable to that of the best LBS predictors benchmarked on several well-established testing datasets. More importantly, the ISMBLab-LIG algorithm has substantial tolerance to the prediction uncertainties of computationally derived protein structure models. As such, the method is particularly useful for predicting LBSs not only on experimental protein structures without known LBS templates in the database but also on computationally predicted model protein structures with structural uncertainties in the tentative ligand binding sites. PMID:27513851

  9. Atomic beams probe surface vibrations

    International Nuclear Information System (INIS)

    Robinson, A.L.

    1982-01-01

    In the last two years, surface scientist have begun trying to obtain the vibrational frequencies of surface atoms in both insulating and metallic crystals from beams of helium atoms. It is the inelastic scattering that researchers use to probe surface vibrations. Inelastic atomic beam scattering has only been used to obtain vibrational frequency spectra from clean surfaces. Several experiments using helium beams are cited. (SC)

  10. 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...

  11. PREFACE: Atom-surface scattering Atom-surface scattering

    Science.gov (United States)

    Miret-Artés, Salvador

    2010-08-01

    resonances. This proposal was, in a certain sense, the result of many previous studies carried out by the authors studying the hard corrugated wall, the eikonal approximation and the quantum theory of surface scattering. His stays with J Lapujoulade's group in Saclay were very fruitful for understanding diffraction patterns, surface phonons and selective adsorption resonances in metal vicinal surfaces. Together with R H Ritchie, he proposed some corrections to Van der Waals forces in 1985 and 1986. Self-energies of a charge near a surface or image states or potentials for electrons were also studied in collaboration with R H Ritchie in Oak Ridge and P Echenique in San Sebastian. In particular, they proposed a theory for cluster impact fusion in 1990. With J P Toennies and his group and visitors in Göttingen, many experimental features or effects were interpreted with Dick's invaluable collaboration. Thus, for example, we have (i) the large-momentum transfer undulations observed in the angular distribution of He atoms scattered by a platinum surface in the presence of a single CO adsorbate (the so-called reflection symmetry interference); (ii) the inelastic interference structures of the frustrated translational mode of CO on a copper surface; (iii) defect mediated diffraction resonances; (iv) inelastic focusing; (v) diffraction from nanostructure transmission gratings, etc. With J G Skofronick and S A Safron and their group in Tallahassee, He atom inelastic scattering from insulator experiments were carried out to test his theory. With K-H Rieder and his group in Berlin, Dick mainly considered the scattering of atoms from clean surfaces and in the presence of defects at grazing angles. And, finally, with W Ernst and his group in Graz, glass surface dynamics was developed as well as observation of the so-called boson peak. Finally, I would like to express my sincere gratitude to all contributors and those who were contacted but could not participate in this festschrift. They

  12. Protein-protein interaction site predictions with three-dimensional probability distributions of interacting atoms on protein surfaces.

    Directory of Open Access Journals (Sweden)

    Ching-Tai Chen

    Full Text Available Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins and were tested on an independent dataset (consisting of 142 proteins. The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted

  13. Protein-Protein Interaction Site Predictions with Three-Dimensional Probability Distributions of Interacting Atoms on Protein Surfaces

    Science.gov (United States)

    Chen, Ching-Tai; Peng, Hung-Pin; Jian, Jhih-Wei; Tsai, Keng-Chang; Chang, Jeng-Yih; Yang, Ei-Wen; Chen, Jun-Bo; Ho, Shinn-Ying; Hsu, Wen-Lian; Yang, An-Suei

    2012-01-01

    Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI) sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins) and were tested on an independent dataset (consisting of 142 proteins). The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted correctly with

  14. Distribution of Cr atoms in the surface zone of Fe-rich Fe–Cr alloys quenched into various media: Mössbauer spectroscopic study

    International Nuclear Information System (INIS)

    Dubiel, Stanisław M.; Cieślak, Jakub; Żukrowski, Jan

    2015-01-01

    Graphical abstract: Chromium depletion, Δx = x_k − x, in Fe_1_0_0_−_xCr_x (x = 2.2, 3.9, 6.4, 8.5, 10.25, 10.75, 14.9, 15.15) alloys quenched into LN (left panel) and those quenched onto brass (right panel) as found from CEMS (pre surface zone) and TRANS (bulk) Mössbauer spectra (x_k – Cr content in the pre surface or bulk as estimated from the average hyperfine field found for the quenched samples). - Highlights: • Effect of quenching media on Cr atom distribution in Fe–Cr alloys was determined. • Significant differences between bulk and pre surface zone were revealed. • Quenching into water and LH resulted in surface oxidation of samples. • Samples quenched onto a block of brass were not oxidized. - Abstract: Effect of a quenching medium (water, liquid nitrogen and block of brass) on a distribution of Cr atoms in the surface zone of Fe_1_0_0_−_xCr_x (x ≤ 19) alloys was studied with the Mössbauer spectroscopy. The distribution of Cr atoms was expressed in terms of the Cowley–Warren short-range order (SRO) parameters: 〈α_1〉 for the first neighbor-shell, 〈α_2〉 for the second neighbor-shell and 〈α_1_2〉 for both neighbor-shells. It was revealed that none of the quenching media resulted in a random distribution of atoms, yet the degree of randomness was the highest for the samples quenched onto the block of brass. The quenching into water and liquid nitrogen caused a partial oxidation of samples’ surface accompanied by a chromium depletion of the bulk. Quantitative analysis of various phases in the studied samples both in their bulk as well as in pre surface zones was carried out.

  15. Effect of SP-C on surface potential distribution in pulmonary surfactant: Atomic force microscopy and Kelvin probe force microscopy study

    International Nuclear Information System (INIS)

    Hane, Francis; Moores, Brad; Amrein, Matthias; Leonenko, Zoya

    2009-01-01

    The air-lung interface is covered by a molecular film of pulmonary surfactant (PS). The major function of the film is to reduce the surface tension of the lung's air-liquid interface, providing stability to the alveolar structure and reducing the work of breathing. Earlier we have shown that function of bovine lipid extract surfactant (BLES) is related to the specific molecular architecture of surfactant films. Defined molecular arrangement of the lipids and proteins of the surfactant film also give rise to a local highly variable electrical surface potential of the interface. In this work we investigated a simple model of artificial lung surfactant consisting of DPPC, eggPG, and surfactant protein C (SP-C). Effects of surface compression and the presence of SP-C on the monolayer structure and surface potential distribution were investigated using atomic force microscopy (AFM) and Kelvin probe force microscopy (KPFM). We show that topography and locally variable surface potential of DPPC-eggPG lipid mixture are similar to those of pulmonary surfactant BLES in the presence of SP-C and differ in surface potential when SP-C is absent.

  16. Scattering of Hyperthermal Nitrogen Atoms from the Ag(111) Surface

    NARCIS (Netherlands)

    Ueta, H.; Gleeson, M. A.; Kleyn, A. W.

    2009-01-01

    Measurements on scattering of hyperthermal N atoms from the Ag(111) Surface at temperatures of 500, 600, and 730 K are presented. The scattered atoms have a two-component angular distribution. One of the N components is very broad. In contrast, scattered Ar atoms exhibit only a sharp,

  17. Photoionization microscopy of hydrogen atom near a metal surface

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  18. Mechanisms and energetics of surface atomic processes

    International Nuclear Information System (INIS)

    Tsong, T.T.

    1991-01-01

    The energies involved in various surface atomic processes such as surface diffusion, the binding of small atomic clusters on the surface, the interaction between two adsorbed atoms, the dissociation of an atom from a small cluster or from a surface layer, the binding of kink size atoms or atoms at different adsorption sites to the surface etc., can be derived from an analysis of atomically resolved field ion microscope images and a kinetic energy measurement of low temperature field desorbed ions using the time-of-flight atom-probe field ion microscope. These energies can be used to compare with theories and to understand the transport of atoms on the surface in atomic reconstructions, epitaxial growth of surface layers and crystal growth, adsorption layer superstructure formation, and also why an atomic ordering or atomic reconstruction at the surface is energetically favored. Mechanisms of some of the surface atomic processes are also clarified from these quantitative, atomic resolution studies. In this paper work in this area is bris briefly reviewed

  19. Atomic probes of surface structure and dynamics

    International Nuclear Information System (INIS)

    Heller, E.J.; Jonsson, H.

    1992-01-01

    The following were studied: New semiclassical method for scattering calculations, He atom scattering from defective Pt surfaces, He atom scattering from Xe overlayers, thermal dissociation of H 2 on Cu(110), spin flip scattering of atoms from surfaces, and Car-Parrinello simulations of surface processes

  20. Atomic probes of surface structure and dynamics

    International Nuclear Information System (INIS)

    Heller, E.J.; Jonsson, H.

    1992-01-01

    Progress for the period Sept. 15, 1992 to Sept. 14, 1993 is discussed. Semiclassical methods that will allow much faster and more accurate three-dimensional atom--surface scattering calculations, both elastic and inelastic, are being developed. The scattering of He atoms from buckyballs is being investigated as a test problem. Somewhat more detail is given on studies of He atom scattering from defective Pt surfaces. Molecular dynamics simulations of He + and Ar + ion sputtering of Pt surfaces are also being done. He atom scattering from Xe overlayers on metal surfaces and the thermalized dissociation of H 2 on Cu(110) are being studied. (R.W.R.) 64 refs

  1. Atom distribution and interactions in Ag{sub x}Pt{sub 1-x} and Au{sub x}Pt{sub 1-x} surface alloys on Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Roetter, Ralf T.; Bergbreiter, Andreas; Hoster, Harry E.; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany)

    2009-07-01

    The atom distributions in Ag{sub x}Pt{sub 1-x}/Pt(111) and Au{sub x}Pt{sub 1-x}/Pt(111) surface alloys were studied by high resolution UHV-STM. These surfaces were prepared by submonolayer Ag (Au) metal deposition on Pt(111), followed by annealing at 900 K or 1000 K, respectively, which in both cases results in surface confined 2D alloys, with equilibrated distribution of the components. Both systems show a tendency towards two-dimensional clustering, which fits well to their known bulk immiscibility. Effective cluster interactions (ECIs) will be derived by a quantitative evaluation of the 2D atom distributions in the surface alloys. By comparing the ECIs for PtAg and PtAu on Pt(111), and considering that Ag and Au have almost similar lattice constants, the results allow conclusion on the physical origin of the tendency for clustering.

  2. Photodesorption of Na atoms from rough Na surfaces

    DEFF Research Database (Denmark)

    Balzer, Frank; Gerlach, R.; Manson, J.R.

    1997-01-01

    We investigate the desorption of Na atoms from large Na clusters deposited on dielectric surfaces. High-resolution translational energy distributions of the desorbing atoms are determined by three independent methods, two-photon laser-induced fluorescence, as well as single-photon and resonance......-enhanced two-photon ionization techniques. Upon variation of surface temperature and for different substrates (mica vs lithium fluoride) clear non-Maxwellian time-of-flight distributions are observed with a cos θ angular dependence and most probable kinetic energies below that expected of atoms desorbing from...... atoms are scattered by surface vibrations. Recent experiments providing time constants for the decay of the optical excitations in the clusters support this model. The excellent agreement between experiment and theory indicates the importance of both absorption of the laser photons via direct excitation...

  3. Quantum reflection of fast atoms from insulator surfaces: Eikonal description

    Energy Technology Data Exchange (ETDEWEB)

    Gravielle, M S; Miraglia, J E, E-mail: msilvia@iafe.uba.a, E-mail: miraglia@iafe.uba.a [Instituto de Astronomia y Fisica del Espacio, CONICET, Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires (Argentina) and Dpto. de Fisica, FCEN, Universidad de Buenos Aires (Argentina)

    2009-11-01

    Interference effects recently observed in grazing scattering of swift atoms from insulator surfaces are studied within a distorted-wave method - the surface eikonal approximation. This approach makes use of the eikonal wave function, involving axial channeled trajectories. The theory is applied to helium atoms colliding with a LiF(001) surface along low-index crystallographic directions. The roles played by the projectile polarization and the surface rumpling are investigated, finding that both effects are important for the description of the experimental projectile distributions.

  4. Data compilation of angular distributions of sputtered atoms

    International Nuclear Information System (INIS)

    Yamamura, Yasunori; Takiguchi, Takashi; Tawara, Hiro.

    1990-01-01

    Sputtering on a surface is generally caused by the collision cascade developed near the surface. The process is in principle the same as that causing radiation damage in the bulk of solids. Sputtering has long been regarded as an undesirable dirty effect which destroys the cathodes and grids in gas discharge tubes or ion sources and contaminates plasma and the surrounding walls. However, sputtering is used today for many applications such as sputter ion sources, mass spectrometers and the deposition of thin films. Plasma contamination and the surface erosion of first walls due to sputtering are still the major problems in fusion research. The angular distribution of the particles sputtered from solid surfaces can possibly provide the detailed information on the collision cascade in the interior of targets. This report presents a compilation of the angular distribution of sputtered atoms at normal incidence and oblique incidence in the various combinations of incident ions and target atoms. The angular distribution of sputtered atoms from monatomic solids at normal incidence and oblique incidence, and the compilation of the data on the angular distribution of sputtered atoms are reported. (K.I.)

  5. Spatial distributions of Cu polycrystal sputtered atoms

    International Nuclear Information System (INIS)

    Abgaryan, V.K.; Semenov, A.A.; Shkarban, I.I.

    2004-01-01

    The results of the experimental determination of the Cu atoms spatial distribution, sputtered from the polycrystalline copper target, irradiated by the Xe + ions with the energy of 300 eV, are presented. The spatial distributions of the sputtered particles, calculated through the quasistable-dynamic model of the cascade modeling (CAMO) are presented also for the case of the polycrystalline copper irradiation by the Ar + and Xe + ions with the energy of 300-1000 eV [ru

  6. Diamond surface: atomic and electronic structure

    International Nuclear Information System (INIS)

    Pate, B.B.

    1984-01-01

    Experimental studies of the diamond surface (with primary emphasis on the (111) surface) are presented. Aspects of the diamond surface which are addressed include (1) the electronic structure, (2) the atomic structure, and (3) the effect of termination of the lattice by foreign atoms. Limited studies of graphite are discussed for comparison with the diamond results. Experimental results from valence band and core level photoemission spectroscopy (PES), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), and carbon 1s near edge x-ray absorption fine structure (NEXAFS) spectroscopy (both the total electron yield (TEY) and Auger electron yield (AEY) techniques) are used to study and characterize both the clean and hydrogenated surface. In addition, the interaction of hydrogen with the diamond surface is examined using results from vibrational high resolution low energy electron loss spectroscopy (in collaboration with Waclawski, Pierce, Swanson, and Celotta at the National Bureau of Standards) and photon stimulated ion desorption (PSID) yield at photon energies near the carbon k-edge (hv greater than or equal to 280 eV). Both EELS and PSID verify that the mechanically polished 1 x 1 surface is hydrogen terminated and also that the reconstructed surface is hydrogen free. The (111) 2 x 2/2 x 1 reconstructed surface is obtained from the hydrogenated (111) 1 x 1:H surface by annealing to approx. = 1000 0 C. We observe occupied intrinsic surface states and a surface chemical shift (0.95 +- 0.1 eV) to lower binding energy of the carbon 1s level on the hydrogen-free reconstructed surface. Atomic hydrogen is found to be reactive with the reconstructed surface, while molecular hydrogen is relatively inert. Exposure of the reconstructed surface to atomic hydrogen results in chemisorption of hydrogen and removal of the intrinsic surface state emission in and near the band gap region

  7. Formation of hollow atoms above a surface

    Science.gov (United States)

    Briand, Jean Pierre; Phaneuf, Ronald; Terracol, Stephane; Xie, Zuqi

    2012-06-01

    Slow highly stripped ions approaching or penetrating surfaces are known to capture electrons into outer shells of the ions, leaving the innermost shells empty, and forming hollow atoms. Electron capture occurs above and below the surfaces. The existence of hollow atoms below surfaces e.g. Ar atoms whose K and L shells are empty, with all electrons lying in the M and N shells, was demonstrated in 1990 [1]. At nm above surfaces, the excited ions may not have enough time to decay before hitting the surfaces, and the formation of hollow atoms above surfaces has even been questioned [2]. To observe it, one must increase the time above the surface by decelerating the ions. We have for the first time decelerated O^7+ ions to energies as low as 1 eV/q, below the minimum energy gained by the ions due to the acceleration by their image charge. As expected, no ion backscattering (trampoline effect) above dielectric (Ge) was observed and at the lowest ion kinetic energies, most of the observed x-rays were found to be emitted by the ions after surface contact. [4pt] [1] J. P. Briand et al., Phys.Rev.Lett. 65(1990)159.[0pt] [2] J.P. Briand, AIP Conference Proceedings 215 (1990) 513.

  8. Surface Plasmon Polaritons Probed with Cold Atoms

    DEFF Research Database (Denmark)

    Kawalec, Tomasz; Sierant, Aleksandra; Panas, Roman

    2017-01-01

    We report on an optical mirror for cold rubidium atoms based on a repulsive dipole potential created by means of a modified recordable digital versatile disc. Using the mirror, we have determined the absolute value of the surface plasmon polariton (SPP) intensity, reaching 90 times the intensity...

  9. Classical theory of atom-surface scattering: The rainbow effect

    Science.gov (United States)

    Miret-Artés, Salvador; Pollak, Eli

    2012-07-01

    The scattering of heavy atoms and molecules from surfaces is oftentimes dominated by classical mechanics. A large body of experiments have gathered data on the angular distributions of the scattered species, their energy loss distribution, sticking probability, dependence on surface temperature and more. For many years these phenomena have been considered theoretically in the framework of the “washboard model” in which the interaction of the incident particle with the surface is described in terms of hard wall potentials. Although this class of models has helped in elucidating some of the features it left open many questions such as: true potentials are clearly not hard wall potentials, it does not provide a realistic framework for phonon scattering, and it cannot explain the incident angle and incident energy dependence of rainbow scattering, nor can it provide a consistent theory for sticking. In recent years we have been developing a classical perturbation theory approach which has provided new insight into the dynamics of atom-surface scattering. The theory includes both surface corrugation as well as interaction with surface phonons in terms of harmonic baths which are linearly coupled to the system coordinates. This model has been successful in elucidating many new features of rainbow scattering in terms of frictions and bath fluctuations or noise. It has also given new insight into the origins of asymmetry in atomic scattering from surfaces. New phenomena deduced from the theory include friction induced rainbows, energy loss rainbows, a theory of super-rainbows, and more. In this review we present the classical theory of atom-surface scattering as well as extensions and implications for semiclassical scattering and the further development of a quantum theory of surface scattering. Special emphasis is given to the inversion of scattering data into information on the particle-surface interactions.

  10. Atomic profile imaging of ceramic oxide surfaces

    International Nuclear Information System (INIS)

    Bursill, L.A.; Peng JuLin; Sellar, J.R.

    1989-01-01

    Atomic surface profile imaging is an electron optical technique capable of revealing directly the surface crystallography of ceramic oxides. Use of an image-intensifier with a TV camera allows fluctuations in surface morphology and surface reactivity to be recorded and analyzed using digitized image data. This paper reviews aspects of the electron optical techniques, including interpretations based upon computer-simulation image-matching techniques. An extensive range of applications is then presented for ceramic oxides of commercial interest for advanced materials applications: including uranium oxide (UO 2 ); magnesium and nickel oxide (MgO,NiO); ceramic superconductor YBa 2 Cu 3 O 6.7 ); barium titanate (BaTiO 3 ); sapphire (α-A1 2 O 3 ); haematite (α-Fe-2O 3 ); monoclinic, tetragonal and cubic monocrystalline forms of zirconia (ZrO 2 ), lead zirconium titanate (PZT + 6 mol.% NiNbO 3 ) and ZBLAN fluoride glass. Atomic scale detail has been obtained of local structures such as steps associated with vicinal surfaces, facetting parallel to stable low energy crystallographic planes, monolayer formation on certain facets, relaxation and reconstructions, oriented overgrowth of lower oxides, chemical decomposition of complex oxides into component oxides, as well as amorphous coatings. This remarkable variety of observed surface stabilization mechanisms is discussed in terms of novel double-layer electrostatic depolarization mechanisms, as well as classical concepts of the physics and chemistry of surfaces (ionization and affinity energies and work function). 46 refs., 16 figs

  11. Atomic displacement distributions for light energetic atoms incident on heavy atom targets

    International Nuclear Information System (INIS)

    Brice, D.K.

    1975-01-01

    The depth distributions of atomic displacements produced by 4 to 100 keV H, D, and He ions incident on Cr, Mo, and W targets have been calculated using a sharp displacement threshold, E/sub d/ = 35 eV, and a previously described calculational procedure. These displacement depth distributions have been compared with the depth distributions of energy deposited into atomic processes to determine if a proportionality (modified Kinchin--Pease relationship) can be established. Such a relationship does exist for He ions and D ions incident on these metals at energies above 4 keV and 20 keV, respectively. For H ions the two distributions have significantly different shapes at all incident energies considered

  12. Fast atom diffraction for grazing scattering of Ne atoms from a LiF(0 0 1) surface

    International Nuclear Information System (INIS)

    Gravielle, M.S.; Schueller, A.; Winter, H.; Miraglia, J.E.

    2011-01-01

    Angular distributions of fast Ne atoms after grazing collisions with a LiF(0 0 1) surface under axial surface channeling conditions are experimentally and theoretically studied. We use the surface eikonal approximation to describe the quantum interference of scattered projectiles, while the atom-surface interaction is represented by means of a pairwise additive potential, including the polarization of the projectile atom. Experimental data serve as a benchmark to investigate the performance of the proposed potential model, analyzing the role played by the projectile polarization.

  13. Fast atom diffraction for grazing scattering of Ne atoms from a LiF(0 0 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Gravielle, M.S., E-mail: msilvia@iafe.uba.ar [Instituto de Astronomia y Fisica del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28 C1428EGA, Buenos Aires (Argentina); Departamento de Fisica, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina); Schueller, A.; Winter, H. [Institut fuer Physik, Humboldt Universitaet zu Berlin, Newtonstrasse 15, D-12489 Berlin-Adlershof (Germany); Miraglia, J.E. [Instituto de Astronomia y Fisica del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28 C1428EGA, Buenos Aires (Argentina); Departamento de Fisica, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina)

    2011-06-01

    Angular distributions of fast Ne atoms after grazing collisions with a LiF(0 0 1) surface under axial surface channeling conditions are experimentally and theoretically studied. We use the surface eikonal approximation to describe the quantum interference of scattered projectiles, while the atom-surface interaction is represented by means of a pairwise additive potential, including the polarization of the projectile atom. Experimental data serve as a benchmark to investigate the performance of the proposed potential model, analyzing the role played by the projectile polarization.

  14. The influence of the surface atomic structure on surface diffusion

    International Nuclear Information System (INIS)

    Ghaleb, Dominique

    1984-03-01

    This work represents the first quantitative study of the influence of the surface atomic structure on surface diffusion (in the range: 0.2 Tf up 0.5 Tf; Tf: melting temperature of the substrate). The analysis of our results on a microscopic scale shows low formation and migration energies for adatoms; we can describe the diffusion on surfaces with a very simple model. On (110) surfaces at low temperature the diffusion is controlled by the exchange mechanism; at higher temperature direct jumps of adatoms along the channels contribute also to the diffusion process. (author) [fr

  15. Shallow surface depth profiling with atomic resolution

    International Nuclear Information System (INIS)

    Xi, J.; Dastoor, P.C.; King, B.V.; O'Connor, D.J.

    1999-01-01

    It is possible to derive atomic layer-by-layer composition depth profiles from popular electron spectroscopic techniques, such as X-ray photoelectron spectroscopy (XPS) or Auger electron spectroscopy (AES). When ion sputtering assisted AES or XPS is used, the changes that occur during the establishment of the steady state in the sputtering process make these techniques increasingly inaccurate for depths less than 3nm. Therefore non-destructive techniques of angle-resolved XPS (ARXPS) or AES (ARAES) have to be used in this case. In this paper several data processing algorithms have been used to extract the atomic resolved depth profiles of a shallow surface (down to 1nm) from ARXPS and ARAES data

  16. Distributed Surface Force

    Science.gov (United States)

    2014-06-01

    surface missile SSN nuclear powered attack submarine ST Singapore Technologies T-AKE Lewis and Clarke class TDSI Temasek Defense Systems Institute TRL...total of 313 (Department of the Navy N8 Department 2013). This 306-ship plan includes 12 SSBNs, 48 SSNs , 11 aircraft carriers, 88 cruisers and...MoCil • • West Reef Barque Canada Stloal frinc2 of wales Bank • Reef fat Grair9r Bani< Aneoyna Cltf •Mari\\eles • • • • Nlenwl Bank Ardaser n Dalas

  17. Scattering of atoms by molecules adsorbed at solid surfaces

    International Nuclear Information System (INIS)

    Parra, Zaida.

    1988-01-01

    The formalism of collisional time-correlation functions, appropriate for scattering by many-body targets, is implemented to study energy transfer in the scattering of atoms and ions from molecules adsorbed on metal surfaces. Double differential cross-sections for the energy and angular distributions of atoms and ions scattered by a molecule adsorbed on a metal surface are derived in the limit of impulsive collisions and within a statistical model that accounts for single and double collisions. They are found to be given by the product of an effective cross-section that accounts for the probability of deflection into a solid angle times a probability per unit energy transfer. A cluster model is introduced for the vibrations of an adsorbed molecule which includes the molecular atoms, the surface atoms binding the molecule, and their nearest neighbors. The vibrational modes of CO adsorbed on a Ni(001) metal surface are obtained using two different cluster models to represent the on-top and bridge-bonding situations. A He/OC-Ni(001) potential is constructed from a strongly repulsive potential of He interacting with the oxygen atom in the CO molecule and a van der Waals attraction accounting for the He interaction with the free Ni(001) surface. A potential is presented for the Li + /OC-Ni(001) where a coulombic term is introduced to account for the image force. Trajectory studies are performed and analyzed in three dimensions to obtain effective classical cross-sections for the He/OC-Ni(001) and Li + /OC-Ni(001) systems. Results for the double differential cross-sections are presented as functions of scattering angles, energy transfer and collisional energy. Temperature dependence results are also analyzed. Extensions of the approach and inclusion of effects such as anharmonicity, collisions at lower energies, and applications of the approach to higher coverages are discussed

  18. Phonon lineshapes in atom-surface scattering

    Energy Technology Data Exchange (ETDEWEB)

    MartInez-Casado, R [Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Sanz, A S; Miret-Artes, S [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones CientIficas, Serrano 123, E-28006 Madrid (Spain)

    2010-08-04

    Phonon lineshapes in atom-surface scattering are obtained from a simple stochastic model based on the so-called Caldeira-Leggett Hamiltonian. In this single-bath model, the excited phonon resulting from a creation or annihilation event is coupled to a thermal bath consisting of an infinite number of harmonic oscillators, namely the bath phonons. The diagonalization of the corresponding Hamiltonian leads to a renormalization of the phonon frequencies in terms of the phonon friction or damping coefficient. Moreover, when there are adsorbates on the surface, this single-bath model can be extended to a two-bath model accounting for the effect induced by the adsorbates on the phonon lineshapes as well as their corresponding lineshapes.

  19. Measurement of light-atom distributions in solids

    International Nuclear Information System (INIS)

    Blewer, R.S.

    1977-01-01

    We have developed a sensitive technique that is capable of nondestructively measuring the abundance and depth-distribution of isotopes of hydrogen or helium imbedded in a solid. The measurement is a form of ion-backscattering spectrometry which uses protons to probe within approximately 10μm of the surface of a solid. By analyzing the energy of the backscattered protons we can determine the number of atoms of a given mass present at various depths in the target material. This method permits detection of the lightest elements (i.e., those most difficult to detect by conventional ion-backscattering spectrometry) without sacrificing the capability of revealing the abundance and depth-distribution of heavier elements. For example, we have measured the initial distribution of helium implanted in a metal, then in subsequent measurements kept track of the helium migration

  20. Self-excitation of Rydberg atoms at a metal surface

    DEFF Research Database (Denmark)

    Bordo, Vladimir

    2017-01-01

    The novel effect of self-excitation of an atomic beam propagating above a metal surface is predicted and a theory is developed. Its underlying mechanism is positive feedback provided by the reflective surface for the atomic polarization. Under certain conditions the atomic beam flying in the near...... field of the metal surface acts as an active device that supports sustained atomic dipole oscillations, which generate, in their turn, an electromagnetic field. This phenomenon does not exploit stimulated emission and therefore does not require population inversion in atoms. An experiment with Rydberg...... atoms in which this effect should be most pronounced is proposed and the necessary estimates are given....

  1. Mechanism of yttrium atom formation in electrothermal atomization from metallic and metal-carbide surfaces of a heated graphite atomizer in atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Wahab, H.S.; Chakrabarti, C.L.

    1981-01-01

    Mechanism of Y atom formation from pyrocoated graphite, tantalum and tungsten metal surfaces of a graphite tube atomizer has been studied and a mechanism for the formation for Y atoms is proposed for the first time. (author)

  2. Atom condensation on an atomically smooth surface: Ir, Re, W, and Pd on Ir(111)

    International Nuclear Information System (INIS)

    Wang, S.C.; Ehrlich, G.

    1991-01-01

    The distribution of condensing metal atoms over the two types of sites present on an atomically smooth Ir(111) has been measured in a field ion microscope. For Ir, Re, W, and Pd from a thermal source, condensing on Ir(111) at ∼20 K, the atoms are randomly distributed, as expected if they condense at the first site struck

  3. Mechanism of formation and spatial distribution of lead atoms in quartz tube atomizers

    Science.gov (United States)

    Johansson, M.; Baxter, D. C.; Ohlsson, K. E. A.; Frech, W.

    1997-05-01

    The cross-sectional and longitudinal spatial distributions of lead atoms in a quartz tube (QT) atomizers coupled to a gas chromatograph have been investigated. A uniform analyte atom distribution over the cross-section was found in a QT having an inner diameter (i.d.) of 7 mm, whereas a 10 mm i.d. QT showed an inhomogeneous distribution. These results accentuate the importance of using QTs with i.d.s below 10 mm to fulfil the prerequirement of the Beer—Lambert law to avoid bent calibration curves. The influence of the make up gas on the formation of lead atoms from alkyllead compounds has been studied, and carbon monoxide was found equally efficient in promoting free atom formation as hydrogen. This suggests that hydrogen radicals are not essential for mediating the atomization of alkyllead in QT atomizers at ˜ 1200 K. Furthermore, thermodynamic equilibrium calculations describing the investigated system were performed supporting the experimental results. Based on the presented data, a mechanism for free lead atom formation in continuously heated QT atomizers is proposed; thermal atomization occurs under thermodynamic equilibrium conditions in a reducing gas. The longitudinal atom distribution has been further investigated applying other make up gases, N 2 and He. These results show the effect of the influx of atmospheric oxygen on the free lead atom formation. Calculations of the partial pressure of oxygen in the atomizer gas phase assuming thermodynamic equilibrium have been undertaken using a convective-diffusional model.

  4. The angular distributions of sputtered indium atoms at different temperature

    International Nuclear Information System (INIS)

    Zhang Jiping; Wang Zhenxia; Tao Zhenlan; Pan Jisheng

    1993-01-01

    The effect of temperature and surface topography on the angular distribution of indium atoms was studied under bombardment by 2T KeV Ar + ions at normal incidence. Experiments were carried out on two samples, A and B, at 25 o C and 70 o C respectively. The function Y(θ) = a cosθ + b cos n θ, where θ is the sputtering angle, was found to fit the experimental data. The term (a cos θ) corresponds to the cosine distribution predicted by random collision cascade theory, and the term (b cos n θ) is dependent on factors such as the surface topography. For sample A, a∼b, whereas for sample B a< b. The surface of A consisted of flat and pebble like regions of almost equal area while the surface of B was more cratered. An explanation of the fitting values of a,b and n is given in terms of the shielding effects of the different structures. (UK)

  5. Scattering of hyperthermal argon atoms from clean and D-covered Ru surfaces

    NARCIS (Netherlands)

    Ueta, H.; Gleeson, M.A.; Kleyn, A.W.

    2011-01-01

    Hyperthermal Ar atoms were scattered from a Ru(0001) surface held at temperatures of 180, 400 and 600 K, and from a Ru(0001)-(1×1)D surface held at 114 and 180 K. The resultant angular intensity and energy distributions are complex. The in-plane angular distributions have narrow (FWHM ≤ 10°)

  6. Observation of Atom Wave Phase Shifts Induced by Van Der Waals Atom-Surface Interactions

    International Nuclear Information System (INIS)

    Perreault, John D.; Cronin, Alexander D.

    2005-01-01

    The development of nanotechnology and atom optics relies on understanding how atoms behave and interact with their environment. Isolated atoms can exhibit wavelike (coherent) behavior with a corresponding de Broglie wavelength and phase which can be affected by nearby surfaces. Here an atom interferometer is used to measure the phase shift of Na atom waves induced by the walls of a 50 nm wide cavity. To our knowledge this is the first direct measurement of the de Broglie wave phase shift caused by atom-surface interactions. The magnitude of the phase shift is in agreement with that predicted by Lifshitz theory for a nonretarded van der Waals interaction. This experiment also demonstrates that atom waves can retain their coherence even when atom-surface distances are as small as 10 nm

  7. Semiclassical perturbation theory for diffraction in heavy atom surface scattering.

    Science.gov (United States)

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

    2012-05-28

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

  8. Immunogold labels: cell-surface markers in atomic force microscopy

    NARCIS (Netherlands)

    Putman, Constant A.J.; Putman, C.A.J.; de Grooth, B.G.; Hansma, Paul K.; van Hulst, N.F.; Greve, Jan

    1993-01-01

    The feasibility of using immunogold labels as cell-surface markers in atomic force microscopy is shown in this paper. The atomic force microscope (AFM) was used to image the surface of immunogold-labeled human lymphocytes. The lymphocytes were isolated from whole blood and labeled by an indirect

  9. Ballistic Evaporation and Solvation of Helium Atoms at the Surfaces of Protic and Hydrocarbon Liquids.

    Science.gov (United States)

    Johnson, Alexis M; Lancaster, Diane K; Faust, Jennifer A; Hahn, Christine; Reznickova, Anna; Nathanson, Gilbert M

    2014-11-06

    Atomic and molecular solutes evaporate and dissolve by traversing an atomically thin boundary separating liquid and gas. Most solutes spend only short times in this interfacial region, making them difficult to observe. Experiments that monitor the velocities of evaporating species, however, can capture their final interactions with surface solvent molecules. We find that polarizable gases such as N2 and Ar evaporate from protic and hydrocarbon liquids with Maxwell-Boltzmann speed distributions. Surprisingly, the weakly interacting helium atom emerges from these liquids at high kinetic energies, exceeding the expected energy of evaporation from salty water by 70%. This super-Maxwellian evaporation implies in reverse that He atoms preferentially dissolve when they strike the surface at high energies, as if ballistically penetrating into the solvent. The evaporation energies increase with solvent surface tension, suggesting that He atoms require extra kinetic energy to navigate increasingly tortuous paths between surface molecules.

  10. Electronegativity determination of individual surface atoms by atomic force microscopy

    Czech Academy of Sciences Publication Activity Database

    Onoda, J.; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Y.

    2017-01-01

    Roč. 8, Apr (2017), 1-6, č. článku 15155. ISSN 2041-1723 R&D Projects: GA ČR(CZ) GC14-16963J Institutional support: RVO:68378271 Keywords : AFM * DFT * electronegativity * surface science Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 12.124, year: 2016

  11. Atomization of Impinging Droplets on Superheated Superhydrophobic Surfaces

    Science.gov (United States)

    Emerson, Preston; Crockett, Julie; Maynes, Daniel

    2017-11-01

    Water droplets impinging smooth superheated surfaces may be characterized by dynamic vapor bubbles rising to the surface, popping, and causing a spray of tiny droplets to erupt from the droplet. This spray is called secondary atomization. Here, atomization is quantified experimentally for water droplets impinging superheated superhydrophobic surfaces. Smooth hydrophobic and superhydrophobic surfaces with varying rib and post microstructuring were explored. Each surface was placed on an aluminum heating block, and impingement events were captured with a high speed camera at 3000 fps. For consistency among tests, all events were normalized by the maximum atomization found over a range of temperatures on a smooth hydrophobic surface. An estimate of the level of atomization during an impingement event was created by quantifying the volume of fluid present in the atomization spray. Droplet diameter and Weber number were held constant, and atomization was found for a range of temperatures through the lifetime of the impinging droplet. The Leidenfrost temperature was also determined and defined to be the lowest temperature at which atomization ceases to occur. Both atomization and Leidenfrost temperature increase with decreasing pitch (distance between microstructures).

  12. Multiple atomic scale solid surface interconnects for atom circuits and molecule logic gates

    International Nuclear Information System (INIS)

    Joachim, C; Martrou, D; Gauthier, S; Rezeq, M; Troadec, C; Jie Deng; Chandrasekhar, N

    2010-01-01

    The scientific and technical challenges involved in building the planar electrical connection of an atomic scale circuit to N electrodes (N > 2) are discussed. The practical, laboratory scale approach explored today to assemble a multi-access atomic scale precision interconnection machine is presented. Depending on the surface electronic properties of the targeted substrates, two types of machines are considered: on moderate surface band gap materials, scanning tunneling microscopy can be combined with scanning electron microscopy to provide an efficient navigation system, while on wide surface band gap materials, atomic force microscopy can be used in conjunction with optical microscopy. The size of the planar part of the circuit should be minimized on moderate band gap surfaces to avoid current leakage, while this requirement does not apply to wide band gap surfaces. These constraints impose different methods of connection, which are thoroughly discussed, in particular regarding the recent progress in single atom and molecule manipulations on a surface.

  13. Experimental studies of ions and atoms interaction with insulating surface

    International Nuclear Information System (INIS)

    Villette, J.

    2000-10-01

    Grazing collisions ( + , Ne + , Ne 0 , Na + on LiF (001) single crystal, an ionic insulator, are investigated by a time of flight technique. The incident beam is chopped and the scattered particles are collected on a position sensitive detector providing differential cross section while the time of flight gives the energy loss. Deflection plates allow the charge state analysis. Secondary electrons are detected in coincidence allowing direct measurements of electron emission yield, angular and energetic distribution through time of flight measurements. The target electronic structure characterized by a large band gap, governs the collisional processes: charge exchange, electronic excitations and electron emission. In particular, these studies show that the population of local target excitations surface excitons is the major contribution to the kinetic energy transfer (stopping power). Auger neutralization of Ne + and He + ions reveals the population of quasi-molecular excitons, an exciton bound on two holes. Referenced in the literature as trion. A direct energy balance determines the binding energy associated with these excited states of the surface. Besides these electronic energy loss processes, two nuclear energy loss mechanisms are characterized. These processes imply momentum transfer to individual target atoms during close binary collisions or, if the projectile is charged, to collective mode of optical phonons induced by the projectile coulomb field. The effect of the temperature on the scattering profile, the contribution of topological surface defects to the energy loss profile and to skipping motion on the surface are analyzed in view of classical trajectory simulations. (author)

  14. Single atom self-diffusion on nickel surfaces

    International Nuclear Information System (INIS)

    Tung, R.T.; Graham, W.R.

    1980-01-01

    Results of a field ion microscope study of single atom self-diffusion on Ni(311), (331), (110), (111) and (100) planes are presented, including detailed information on the self-diffusion parameters on (311), (331), and (110) surfaces, and activation energies for diffusion on the (111), and (100) surfaces. Evidence is presented for the existence of two types of adsorption site and surface site geometry for single nickel atoms on the (111) surface. The presence of adsorbed hydrogen on the (110), (311), and (331) surfaces is shown to lower the onset temperature for self-diffusion on these planes. (orig.)

  15. Atomic forces between noble gas atoms, alkali ions, and halogen ions for surface interactions

    Science.gov (United States)

    Wilson, J. W.; Outlaw, R. A.; Heinbockel, J. H.

    1988-01-01

    The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base developed from analysis of the two-body potential data, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas surfaces and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

  16. Direct observation of atoms on surfaces by scanning tunnelling microscopy

    International Nuclear Information System (INIS)

    Baldeschwieler, J.D.

    1989-01-01

    The scanning tunnelling microscope is a non-destructive means of achieving atomic level resolution of crystal surfaces in real space to elucidate surface structures, electronic properties and chemical composition. Scanning tunnelling microscope is a powerful, real space surface structure probe complementary to other techniques such as x-ray diffraction. 21 refs., 8 figs

  17. Atomic structure of the SnO2 (110) surface

    International Nuclear Information System (INIS)

    Godin, T.J.; LaFemina, J.P.

    1991-12-01

    Using a tight-binding, total-energy model, we examine atomic relaxations of the ideal stoichiometric and reduced tin oxide (11) surfaces. In both cases we find a nearly bond-length conserving rumple of the top layer, and a smaller counter-relaxation of the second layer. These calculations show no evidence of surface states in the band gap for either surface

  18. Holographic atom imaging from experimental photoelectron angular distribution patterns

    International Nuclear Information System (INIS)

    Terminello, L.J.; Lapiano-Smith, D.A.; Barton, J.J.; Shirley, D.A.

    1993-11-01

    One of the most challenging areas of materials research is the imaging of technologically relevant materials with microscopic and atomic-scale resolution. As part of the development of these methods, near-surface atoms in single crystals were imaged using core-level photoelectron holograms. The angle-dependent electron diffraction patterns that constitute an electron hologram were two-dimensionally transformed to create a three dimensional, real-space image of the neighboring scattering atoms. They have made use of a multiple-wavenumber, phased-summing method to improve the atom imaging capabilities of experimental photoelectron holography using the Cu(001) and Pt(111) prototype systems. These studies are performed to evaluate the potential of holographic atom imaging methods as structural probes of unknown materials

  19. Single atom and-molecules chemisorption on solid surfaces

    International Nuclear Information System (INIS)

    Anda, E.V.; Ure, J.E.; Majlis, N.

    1981-01-01

    A simplified model for the microscopic interpretation of single atom and- molecules chemisorption on metallic surfaces is presented. An appropriated hamiltonian for this problem is resolved, through the Green's function formalism. (L.C.) [pt

  20. Modeling noncontact atomic force microscopy resolution on corrugated surfaces

    Directory of Open Access Journals (Sweden)

    Kristen M. Burson

    2012-03-01

    Full Text Available Key developments in NC-AFM have generally involved atomically flat crystalline surfaces. However, many surfaces of technological interest are not atomically flat. We discuss the experimental difficulties in obtaining high-resolution images of rough surfaces, with amorphous SiO2 as a specific case. We develop a quasi-1-D minimal model for noncontact atomic force microscopy, based on van der Waals interactions between a spherical tip and the surface, explicitly accounting for the corrugated substrate (modeled as a sinusoid. The model results show an attenuation of the topographic contours by ~30% for tip distances within 5 Å of the surface. Results also indicate a deviation from the Hamaker force law for a sphere interacting with a flat surface.

  1. SASP - Symposium on atomic, cluster and surface physics `94

    Energy Technology Data Exchange (ETDEWEB)

    Maerk, T D; Schrittwieser, R; Smith, D

    1994-12-31

    This international symposium (Founding Chairman: W. Lindinger, Innsbruck) is one in a continuing biennial series of conferences which seeks to promote the growth of scientific knowledge and its effective exchange among scientists in the field of atomic, molecular, cluster and surface physics and related areas. The symposium deals in particular with interactions between ions, electrons, photons, atoms, molecules, and clusters and their interactions with surfaces. (author).

  2. Removal of foreign atoms from a metal surface bombarded with fast atomic particles

    Energy Technology Data Exchange (ETDEWEB)

    Dolotov, S.K.; Evstigneev, S.A.; Luk' yanov, S.Yu.; Martynenko, Yu.V.; Chicherov, V.M.

    1976-07-01

    A metal surface coated with foreign atoms was irradiated with periodically repeating ion current pulses. The energy of the ions bombarding the target was 20 to 30 keV, and inert gas ions were used. A study of the time dependences of the current of the dislodged foreign atoms showed that the rate of their removal from the target surface is determined by the sputtering coefficient of the substrate metal.

  3. Removal of foreign atoms from a metal surface bombarded with fast atomic particles

    International Nuclear Information System (INIS)

    Dolotov, S.K.; Evstigneev, S.A.; Luk'yanov, S.Yu.; Martynenko, Yu.V.; Chicherov, V.M.

    A metal surface coated with foreign atoms was irradiated with periodically repeating ion current pulses. The energy of the ions bombarding the target was 20 to 30 keV, and inert gas ions were used. A study of the time dependences of the current of the dislodged foreign atoms showed that the rate of their removal from the target surface is determined by the sputtering coefficient of the substrate metal

  4. Atomic imaging of an InSe single-crystal surface with atomic force microscope

    OpenAIRE

    Uosaki, Kohei; Koinuma, Michio

    1993-01-01

    The atomic force microscope was employed to observed in air the surface atomic structure of InSe, one of III-VI compound semiconductors with layered structures. Atomic arrangements were observed in both n-type and p-type materials. The observed structures are in good agreement with those expected from bulk crystal structures. The atomic images became less clear by repeating the imaging process. Wide area imaging after the imaging of small area clearly showed that a mound was created at the sp...

  5. He atom-surface scattering: Surface dynamics of insulators, overlayers and crystal growth

    International Nuclear Information System (INIS)

    1992-01-01

    Investigations in this laboratory have focused on the surface structure and dynamics of ionic insulators and on epitaxial growth onto alkali halide crystals. In the later the homoepitaxial growth of NaCl/NaCl(001) and the heteroepitaxial growth of KBr/NaCl(001), NaCl/KBr(001) and KBr/RbCl(001) have been studied by monitoring the specular He scattering as a function of the coverage and by measuring the angular and energy distributions of the scattered He atoms. These data provide information on the surface structure, defect densities, island sizes and surface strain during the layer-by-layer growth. The temperature dependence of these measurements also provides information on the mobilities of the admolecules. He atom scattering is unique among surface probes because the low-energy, inert atoms are sensitive only to the electronic structure of the topmost surface layer and are equally applicable to all crystalline materials. It is proposed for the next year to exploit further the variety of combinations possible with the alkali halides in order to carry out a definitive study of epitaxial growth in the ionic insulators. The work completed so far, including measurements of the Bragg diffraction and surface dispersion at various stages of growth, appears to be exceptionally rich in detail, which is particularly promising for theoretical modeling. In addition, because epitaxial growth conditions over a wide range of lattice mismatches is possible with these materials, size effects in growth processes can be explored in great depth. Further, as some of the alkali halides have the CsCl structure instead of the NaCl structure, we can investigate the effects of the heteroepitaxy with materials having different lattice preferences. Finally, by using co-deposition of different alkali halides, one can investigate the formation and stability of alloys and even alkali halide superlattices

  6. Localization of cesium on montmorillonite surface investigated by frequency modulation atomic force microscopy

    Science.gov (United States)

    Araki, Yuki; Satoh, Hisao; Okumura, Masahiko; Onishi, Hiroshi

    2017-11-01

    Cation exchange of clay mineral is typically analyzed without microscopic study of the clay surfaces. In order to reveal the distribution of exchangeable cations at the clay surface, we performed in situ atomic-scale observations of the surface changes in Na-rich montmorillonite due to exchange with Cs cations using frequency modulation atomic force microscopy (FM-AFM). Lines of protrusion were observed on the surface in aqueous CsCl solution. The amount of Cs of the montmorillonite particles analyzed by energy dispersive X-ray spectrometry was consistent with the ratio of the number of linear protrusions to all protrusions in the FM-AFM images. The results showed that the protrusions represent adsorbed Cs cations. The images indicated that Cs cations at the surface were immobile, and their occupancy remained constant at 10% of the cation sites at the surface with different immersion times in the CsCl solution. This suggests that the mobility and the number of Cs cations at the surface are controlled by the permanent charge of montmorillonite; however, the Cs distribution at the surface is independent of the charge distribution of the inner silicate layer. Our atomic-scale observations demonstrate that surface cations are distributed in different ways in montmorillonite and mica.

  7. Distribution of quantum information between an atom and two photons

    International Nuclear Information System (INIS)

    Weber, Bernhard

    2008-01-01

    The construction of networks consisting of optically interconnected processing units is a promising way to scale up quantum information processing systems. To store quantum information, single trapped atoms are among the most proven candidates. By placing them in high finesse optical resonators, a bidirectional information exchange between the atoms and photons becomes possible with, in principle, unit efficiency. Such an interface between stationary and ying qubits constitutes a possible node of a future quantum network. The results presented in this thesis demonstrate the prospects of a quantum interface consisting of a single atom trapped within the mode of a high-finesse optical cavity. In a two-step process, we distribute entanglement between the stored atom and two subsequently emitted single photons. The long atom trapping times achieved in the system together with the high photon collection efficiency of the cavity make the applied protocol in principle deterministic, allowing for the creation of an entangled state at the push of a button. Running the protocol on this quasi-stationary quantum interface, the internal state of the atom is entangled with the polarization state of a single emitted photon. The entanglement is generated by driving a vacuum-stimulated Raman adiabatic passage between states of the coupled atom-cavity system. In a second process, the atomic part of the entangled state is mapped onto a second emitted photon using a similar technique and resulting in a polarization-entangled two-photon state. To verify and characterize the photon-photon entanglement, we measured a violation of a Bell inequality and performed a full quantum state tomography. The results prove the prior atom-photon entanglement and demonstrate a quantum information transfer between the atom and the two emitted photons. This reflects the advantages of a high-finesse cavity as a quantum interface in future quantum networks. (orig.)

  8. Distribution of quantum information between an atom and two photons

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Bernhard

    2008-11-03

    The construction of networks consisting of optically interconnected processing units is a promising way to scale up quantum information processing systems. To store quantum information, single trapped atoms are among the most proven candidates. By placing them in high finesse optical resonators, a bidirectional information exchange between the atoms and photons becomes possible with, in principle, unit efficiency. Such an interface between stationary and ying qubits constitutes a possible node of a future quantum network. The results presented in this thesis demonstrate the prospects of a quantum interface consisting of a single atom trapped within the mode of a high-finesse optical cavity. In a two-step process, we distribute entanglement between the stored atom and two subsequently emitted single photons. The long atom trapping times achieved in the system together with the high photon collection efficiency of the cavity make the applied protocol in principle deterministic, allowing for the creation of an entangled state at the push of a button. Running the protocol on this quasi-stationary quantum interface, the internal state of the atom is entangled with the polarization state of a single emitted photon. The entanglement is generated by driving a vacuum-stimulated Raman adiabatic passage between states of the coupled atom-cavity system. In a second process, the atomic part of the entangled state is mapped onto a second emitted photon using a similar technique and resulting in a polarization-entangled two-photon state. To verify and characterize the photon-photon entanglement, we measured a violation of a Bell inequality and performed a full quantum state tomography. The results prove the prior atom-photon entanglement and demonstrate a quantum information transfer between the atom and the two emitted photons. This reflects the advantages of a high-finesse cavity as a quantum interface in future quantum networks. (orig.)

  9. The impact of atomization on the surface composition of spray-dried milk droplets.

    Science.gov (United States)

    Foerster, Martin; Gengenbach, Thomas; Woo, Meng Wai; Selomulya, Cordelia

    2016-04-01

    The dominant presence of fat at the surface of spray-dried milk powders has been widely reported in the literature and described as resulting in unfavourable powder properties. The mechanism(s) causing this phenomenon are yet to be clearly identified. A systematic investigation of the component distribution in atomized droplets and spray-dried particles consisting of model milk systems with different fat contents demonstrated that atomization strongly influences the final surface composition. Cryogenic flash-freezing of uniform droplets from a microfluidic jet nozzle directly after atomization helped to distinguish the influence of the atomization stage from the drying stage. It was confirmed that the overrepresentation of fat on the surface is independent of the atomization technique, including a pressure-swirl single-fluid spray nozzle and a pilot-scale rotary disk spray dryer commonly used in industry. It is proposed that during the atomization stage a disintegration mechanism along the oil-water interface of the fat globules causes the surface predominance of fat. X-ray photoelectron spectroscopic measurements detected the outermost fat layer and some adjacent protein present on both atomized droplets and spray-dried particles. Confocal laser scanning microscopy gave a qualitative insight into the protein and fat distribution throughout the cross-sections, and confirmed the presence of a fat film along the particle surface. The film remained on the surface in the subsequent drying stage, while protein accumulated underneath, driven by diffusion. The results demonstrated that atomization induces component segregation and fat-rich surfaces in spray-dried milk powders, and thus these cannot be prevented by adjusting the spray drying conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Surface Adsorption in Nonpolarizable Atomic Models.

    Science.gov (United States)

    Whitmer, Jonathan K; Joshi, Abhijeet A; Carlton, Rebecca J; Abbott, Nicholas L; de Pablo, Juan J

    2014-12-09

    Many ionic solutions exhibit species-dependent properties, including surface tension and the salting-out of proteins. These effects may be loosely quantified in terms of the Hofmeister series, first identified in the context of protein solubility. Here, our interest is to develop atomistic models capable of capturing Hofmeister effects rigorously. Importantly, we aim to capture this dependence in computationally cheap "hard" ionic models, which do not exhibit dynamic polarization. To do this, we have performed an investigation detailing the effects of the water model on these properties. Though incredibly important, the role of water models in simulation of ionic solutions and biological systems is essentially unexplored. We quantify this via the ion-dependent surface attraction of the halide series (Cl, Br, I) and, in so doing, determine the relative importance of various hypothesized contributions to ionic surface free energies. Importantly, we demonstrate surface adsorption can result in hard ionic models combined with a thermodynamically accurate representation of the water molecule (TIP4Q). The effect observed in simulations of iodide is commensurate with previous calculations of the surface potential of mean force in rigid molecular dynamics and polarizable density-functional models. Our calculations are direct simulation evidence of the subtle but sensitive role of water thermodynamics in atomistic simulations.

  11. Structures of adsorbed CO on atomically smooth and on stepped sngle crystal surfaces

    International Nuclear Information System (INIS)

    Madey, T.E.; Houston, J.E.

    1980-01-01

    The structures of molecular CO adsorbed on atomically smooth surfaces and on surfaces containing monatomic steps have been studied using the electron stimulated desorption ion angular distribution (ESDIAD) method. For CO adsorbed on the close packed Ru(001) and W(110) surfaces, the dominant bonding mode is via the carbon atom, with the CO molecular axis perpendicular to the plane of the surface. For CO on atomicaly rough Pd(210), and for CO adsorbed at step sites on four different surfaces vicinal to W(110), the axis of the molecule is tilted or inclined away from the normal to the surface. The ESDIAD method, in which ion desorption angles are related to surface bond angles, provides a direct determination of the structures of adsorbed molecules and molecular complexes on surfaces

  12. Measuring Forces between Oxide Surfaces Using the Atomic Force Microscope

    DEFF Research Database (Denmark)

    Pedersen, Henrik Guldberg; Høj, Jakob Weiland

    1996-01-01

    The interactions between colloidal particles play a major role in processing of ceramics, especially in casting processes. With the Atomic Force Microscope (AFM) it is possible to measure the inter-action force between a small oxide particle (a few micron) and a surface as function of surface...

  13. Effects on energetic impact of atomic clusters with surfaces

    International Nuclear Information System (INIS)

    Popok, V.N.; Vuchkovich, S.; Abdela, A.; Campbell, E.E.B.

    2007-01-01

    A brief state-of-the-art review in the field of cluster ion interaction with surface is presented. Cluster beams are efficient tools for manipulating agglomerates of atoms providing control over the synthesis as well as modification of surfaces on the nm-scale. The application of cluster beams for technological purposes requires knowledge of the physics of cluster-surface impact. This has some significant differences compared to monomer ion - surface interactions. The main effects of cluster-surface collisions are discussed. Recent results obtained in experiments on silicon surface nanostructuring using keV-energy implantation of inert gas cluster ions are presented and compared with molecular dynamics simulations. (authors)

  14. Measurement of near neighbor separations of surface atoms

    International Nuclear Information System (INIS)

    Cohen, P.I.

    Two techniques are being developed to measure the nearest neighbor distances of atoms at the surfaces of solids. Both measures extended fine structure in the excitation probability of core level electrons which are excited by an incident electron beam. This is an important problem because the structures of most surface systems are as yet unknown, even though the location of surface atoms is the basis for any quantitative understanding of the chemistry and physics of surfaces and interfaces. These methods would allow any laboratory to make in situ determinations of surface structure in conjunction with most other laboratory probes of surfaces. Each of these two techniques has different advantages; further, the combination of the two will increase confidence in the results by reducing systematic error in the data analysis

  15. Interactions of germanium atoms with silica surfaces

    International Nuclear Information System (INIS)

    Stanley, Scott K.; Coffee, Shawn S.; Ekerdt, John G.

    2005-01-01

    GeH 4 is thermally cracked over a hot filament depositing 0.7-15 ML Ge onto 2-7 nm SiO 2 /Si(1 0 0) at substrate temperatures of 300-970 K. Ge bonding changes are analyzed during annealing with X-ray photoelectron spectroscopy. Ge, GeH x , GeO, and GeO 2 desorption is monitored through temperature programmed desorption in the temperature range 300-1000 K. Low temperature desorption features are attributed to GeO and GeH 4 . No GeO 2 desorption is observed, but GeO 2 decomposition to Ge through high temperature pathways is seen above 750 K. Germanium oxidization results from Ge etching of the oxide substrate. With these results, explanations for the failure of conventional chemical vapor deposition to produce Ge nanocrystals on SiO 2 surfaces are proposed

  16. Entanglement generation between two atoms via surface modes

    International Nuclear Information System (INIS)

    Xu Jingping; Yang Yaping; Al-Amri, M.; Zhu Shiyao; Zubairy, M. Suhail

    2011-01-01

    We discuss the coupling of two identical atoms, separated by a metal or metamaterial slab, through surface modes. We show that the coupling through the surface modes can induce entanglement. We discuss how to control the coupling for the metal or metamaterial slab by adjusting the symmetrical and antisymmetrical property of the surface modes. We analyze the dispersion relation of the surface modes and study the parameter ranges that support the surface modes with the same properties. Our results have potential applications in quantum communication and quantum computation.

  17. Energy exchange in thermal energy atom-surface scattering: impulsive models

    International Nuclear Information System (INIS)

    Barker, J.A.; Auerbach, D.J.

    1979-01-01

    Energy exchange in thermal energy atom surface collisions is studied using impulsive ('hard cube' and 'hard sphere') models. Both models reproduce the observed nearly linear relation between outgoing and incoming energies. In addition, the hard-sphere model accounts for the widths of the outcoming energy distributions. (Auth.)

  18. Theory of inelastic effects in resonant atom-surface scattering

    International Nuclear Information System (INIS)

    Evans, D.K.

    1983-01-01

    The progress of theoretical and experimental developments in atom-surface scattering is briefly reviewed. The formal theory of atom-surface resonant scattering is reviewed and expanded, with both S and T matrix approaches being explained. The two-potential formalism is shown to be useful for dealing with the problem in question. A detailed theory based on the S-matrix and the two-potential formalism is presented. This theory takes account of interactions between the incident atoms and the surface phonons, with resonant effects being displayed explicitly. The Debye-Waller attenuation is also studied. The case in which the atom-surface potential is divided into an attractive part V/sub a/ and a repulsive part V/sub r/ is considered at length. Several techniques are presented for handling the scattering due to V/sub r/, for the case in which V/sub r/ is taken to be the hard corrugated surface potential. The theory is used to calculate the scattered intensities for the system 4 He/LiF(001). A detailed comparison with experiment is made, with polar scans, azimuthal scans, and time-of-flight measurements being considered. The theory is seen to explain the location and signature of resonant features, and to provide reasonable overall agreement with the experimental results

  19. Microscopic modeling of gas-surface scattering: II. Application to argon atom adsorption on a platinum (111) surface

    Science.gov (United States)

    Filinov, A.; Bonitz, M.; Loffhagen, D.

    2018-06-01

    A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The combined model is based on a classification of all atom trajectories according to their energies into trapped, quasi-trapped and scattering states. The number of particles in each of the three classes obeys coupled rate equations. The coefficients in the rate equations are the transition probabilities between these states which are obtained from MD simulations. While these rates are generally time-dependent, after a characteristic time scale t E of several tens of picoseconds they become stationary allowing for a rather simple analysis. Here, we investigate this time scale by analyzing in detail the temporal evolution of the energy distribution functions of the adsorbate atoms. We separately study the energy loss distribution function of the atoms and the distribution function of in-plane and perpendicular energy components. Further, we compute the sticking probability of argon atoms as a function of incident energy, angle and lattice temperature. Our model is important for plasma-surface modeling as it allows to extend accurate simulations to longer time scales.

  20. Spatially distributed multipartite entanglement enables EPR steering of atomic clouds

    Science.gov (United States)

    Kunkel, Philipp; Prüfer, Maximilian; Strobel, Helmut; Linnemann, Daniel; Frölian, Anika; Gasenzer, Thomas; Gärttner, Martin; Oberthaler, Markus K.

    2018-04-01

    A key resource for distributed quantum-enhanced protocols is entanglement between spatially separated modes. However, the robust generation and detection of entanglement between spatially separated regions of an ultracold atomic system remain a challenge. We used spin mixing in a tightly confined Bose-Einstein condensate to generate an entangled state of indistinguishable particles in a single spatial mode. We show experimentally that this entanglement can be spatially distributed by self-similar expansion of the atomic cloud. We used spatially resolved spin read-out to reveal a particularly strong form of quantum correlations known as Einstein-Podolsky-Rosen (EPR) steering between distinct parts of the expanded cloud. Based on the strength of EPR steering, we constructed a witness, which confirmed genuine 5-partite entanglement.

  1. Angular distribution and atomic effects in condensed phase photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Davis, R.F.

    1981-11-01

    A general concept of condensed phase photoelectron spectroscopy is that angular distribution and atomic effects in the photoemission intensity are determined by different mechanisms, the former being determined largely by ordering phenomena such as crystal momentum conservation and photoelectron diffraction while the latter are manifested in the total (angle-integrated) cross section. In this work, the physics of the photoemission process is investigated in several very different experiments to elucidate the mechanisms of, and correlation between, atomic and angular distribution effects. Theoretical models are discussed and the connection betweeen the two effects is clearly established. The remainder of this thesis, which describes experiments utilizing both angle-resolved and angle-integrated photoemission in conjunction with synchrotron radiation in the energy range 6 eV less than or equal to h ν less than or equal to 360 eV and laboratory sources, is divided into three parts

  2. Surface structure investigations using noncontact atomic force microscopy

    International Nuclear Information System (INIS)

    Kolodziej, J.J.; Such, B.; Goryl, M.; Krok, F.; Piatkowski, P.; Szymonski, M.

    2006-01-01

    Surfaces of several A III B V compound semiconductors (InSb, GaAs, InP, InAs) of the (0 0 1) orientation have been studied with noncontact atomic force microscopy (NC-AFM). Obtained atomically resolved patterns have been compared with structural models available in the literature. It is shown that NC-AFM is an efficient tool for imaging complex surface structures in real space. It is also demonstrated that the recent structural models of III-V compound surfaces provide a sound base for interpretation of majority of features present in recorded patterns. However, there are also many new findings revealed by the NC-AFM method that is still new experimental technique in the context of surface structure determination

  3. Atom-surface interaction: Zero-point energy formalism

    International Nuclear Information System (INIS)

    Paranjape, V.V.

    1985-01-01

    The interaction energy between an atom and a surface formed by a polar medium is derived with use of a new approach based on the zero-point energy formalism. It is shown that the energy depends on the separation Z between the atom and the surface. With increasing Z, the energy decreases according to 1/Z 3 , while with decreasing Z the energy saturates to a finite value. It is also shown that the energy is affected by the velocity of the atom, but this correction is small. Our result for large Z is consistent with the work of Manson and Ritchie [Phys. Rev. B 29, 1084 (1984)], who follow a more traditional approach to the problem

  4. A cellular automata simulation study of surface roughening resulting from multi-atom etch pit generation during sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Toh, Y S; Nobes, M J; Carter, G [Dept. of Electronic and Electrical Engineering, Univ. of Salford (United Kingdom)

    1992-04-01

    A two-dimensional square matrix of pseudo-atomic positions is erected and atom removal from the ''surface'' is effected randomly. Either single atoms or groups of atoms (to simulate multi-atom pit generation) are removed. The characteristics of the evolving roughened, terraced ''surface'' are evaluated as a function of the total number of atoms, or equivalent numbers of atomic layers, removed. These characteristics include the ''mean'' position of the sputtered surface, the standard deviation of terrace length about the mean and the form of the terrace length distributions. The results of the single-atom removal mode compare exactly with theoretical predictions in that, for large numbers of atoms removed the depth position of the mean of the terrace length distribution is identical to the mean sputtered depth and the standard deviation increases as the square root of this depth. For multi-atom removal modes (which cannot be predicted theoretically) the standard deviation also increases as the square root of the mean sputtered depth but with a larger proportionality constant. The implications of these observations for the evolution of surface morphology during high yield sputtering is discussed. (orig.).

  5. Influence of laser power on atom probe tomographic analysis of boron distribution in silicon

    Energy Technology Data Exchange (ETDEWEB)

    Tu, Y., E-mail: ytu@imr.tohoku.ac.jp [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Takamizawa, H.; Han, B.; Shimizu, Y.; Inoue, K.; Toyama, T. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Yano, F. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Tokyo City University, Setagaya, Tokyo 158-8557 (Japan); Nishida, A. [Renesas Electronics Corporation, Hitachinaka, Ibaraki 312-8504 (Japan); Nagai, Y. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan)

    2017-02-15

    The relationship between the laser power and the three-dimensional distribution of boron (B) in silicon (Si) measured by laser-assisted atom probe tomography (APT) is investigated. The ultraviolet laser employed in this study has a fixed wavelength of 355 nm. The measured distributions are almost uniform and homogeneous when using low laser power, while clear B accumulation at the low-index pole of single-crystalline Si and segregation along the grain boundaries in polycrystalline Si are observed when using high laser power (100 pJ). These effects are thought to be caused by the surface migration of atoms, which is promoted by high laser power. Therefore, for ensuring a high-fidelity APT measurement of the B distribution in Si, high laser power is not recommended. - Highlights: • Influence of laser power on atom probe tomographic analysis of B distribution in Si is investigated. • When using high laser power, inhomogeneous distributions of B in single-crystalline and polycrystalline Si are observed. • Laser promoted migration of B atoms over the specimen is proposed to explain these effects.

  6. Atomic and molecular layer deposition for surface modification

    Energy Technology Data Exchange (ETDEWEB)

    Vähä-Nissi, Mika, E-mail: mika.vaha-nissi@vtt.fi [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland); Sievänen, Jenni; Salo, Erkki; Heikkilä, Pirjo; Kenttä, Eija [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland); Johansson, Leena-Sisko, E-mail: leena-sisko.johansson@aalto.fi [Aalto University, School of Chemical Technology, Department of Forest Products Technology, PO Box 16100, FI‐00076 AALTO (Finland); Koskinen, Jorma T.; Harlin, Ali [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland)

    2014-06-01

    Atomic and molecular layer deposition (ALD and MLD, respectively) techniques are based on repeated cycles of gas–solid surface reactions. A partial monolayer of atoms or molecules is deposited to the surface during a single deposition cycle, enabling tailored film composition in principle down to molecular resolution on ideal surfaces. Typically ALD/MLD has been used for applications where uniform and pinhole free thin film is a necessity even on 3D surfaces. However, thin – even non-uniform – atomic and molecular deposited layers can also be used to tailor the surface characteristics of different non-ideal substrates. For example, print quality of inkjet printing on polymer films and penetration of water into porous nonwovens can be adjusted with low-temperature deposited metal oxide. In addition, adhesion of extrusion coated biopolymer to inorganic oxides can be improved with a hybrid layer based on lactic acid. - Graphical abstract: Print quality of a polylactide film surface modified with atomic layer deposition prior to inkjet printing (360 dpi) with an aqueous ink. Number of printed dots illustrated as a function of 0, 5, 15 and 25 deposition cycles of trimethylaluminum and water. - Highlights: • ALD/MLD can be used to adjust surface characteristics of films and fiber materials. • Hydrophobicity after few deposition cycles of Al{sub 2}O{sub 3} due to e.g. complex formation. • Same effect on cellulosic fabrics observed with low temperature deposited TiO{sub 2}. • Different film growth and oxidation potential with different precursors. • Hybrid layer on inorganic layer can be used to improve adhesion of polymer melt.

  7. Resonance studies of H atoms adsorbed on frozen H2 surfaces

    International Nuclear Information System (INIS)

    Crampton, S.B.

    1980-01-01

    Observations are reported of the ground state hyperfine resonance of hydrogen atoms stored in a 5 cm. diameter bottle coated with frozen molecular hydrogen. Dephasing of the hyperfine resonance while the atoms are adsorbed produces frequency shifts which vary by a factor of two over the temperature range 3.7 K to 4.6 K and radiative decay rates which vary by a factor of five over this range. The magnitudes and temperature dependences of the frequency shifts and decay rates are consistent with a non-uniform distribution of surface adsorption energies with mean about 38(8) K, in agreement with theoretical estimates for a smooth surface. Extrapolation of the 30 nanosec. mean adsorption times at 4.2 K predicts very long adsorption times for H on H 2 below 1 K. Studies of level population recovery rates provide evidence for surface electron spin exchange collisions between adsorbed atoms with collision duration long compared to the hyperfine period, suggesting that the atoms are partially mobile on the surface. The lowest rates observed for level population recovery set a lower limit of about 500 atom-surface collisions at 4.2 K without recombination

  8. Effects of temperature and surface orientation on migration behaviours of helium atoms near tungsten surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaoshuang; Wu, Zhangwen; Hou, Qing, E-mail: qhou@scu.edu.cn

    2015-10-15

    Molecular dynamics simulations were performed to study the dependence of migration behaviours of single helium atoms near tungsten surfaces on the surface orientation and temperature. For W{100} and W{110} surfaces, He atoms can quickly escape out near the surface without accumulation even at a temperature of 400 K. The behaviours of helium atoms can be well-described by the theory of continuous diffusion of particles in a semi-infinite medium. For a W{111} surface, the situation is complex. Different types of trap mutations occur within the neighbouring region of the W{111} surface. The trap mutations hinder the escape of He atoms, resulting in their accumulation. The probability of a He atom escaping into vacuum from a trap mutation depends on the type of the trap mutation, and the occurrence probabilities of the different types of trap mutations are dependent on the temperature. This finding suggests that the escape rate of He atoms on the W{111} surface does not show a monotonic dependence on temperature. For instance, the escape rate at T = 1500 K is lower than the rate at T = 1100 K. Our results are useful for understanding the structural evolution and He release on tungsten surfaces and for designing models in other simulation methods beyond molecular dynamics.

  9. Surface Preparation of InAs (110 Using Atomic Hydrogen

    Directory of Open Access Journals (Sweden)

    T.D. Veal

    2002-06-01

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

  10. Atomic-scale friction on stepped surfaces of ionic crystals.

    Science.gov (United States)

    Steiner, Pascal; Gnecco, Enrico; Krok, Franciszek; Budzioch, Janusz; Walczak, Lukasz; Konior, Jerzy; Szymonski, Marek; Meyer, Ernst

    2011-05-06

    We report on high-resolution friction force microscopy on a stepped NaCl(001) surface in ultrahigh vacuum. The measurements were performed on single cleavage step edges. When blunt tips are used, friction is found to increase while scanning both up and down a step edge. With atomically sharp tips, friction still increases upwards, but it decreases and even changes sign downwards. Our observations extend previous results obtained without resolving atomic features and are associated with the competition between the Schwöbel barrier and the asymmetric potential well accompanying the step edges.

  11. Effective oscillator strength distributions of spherically symmetric atoms for calculating polarizabilities and long-range atom–atom interactions

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Jun, E-mail: phyjiang@yeah.net [Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Cheng, Yongjun, E-mail: cyj83mail@gmail.com [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Academy of Fundamental and Interdisciplinary Science, Harbin Institute of Technology, Harbin 150080 (China); Bromley, M.W.J., E-mail: brom@physics.uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane, Queensland 4075 (Australia)

    2015-01-15

    Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C{sub 6}, C{sub 8} and C{sub 10} atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations.

  12. Effective oscillator strength distributions of spherically symmetric atoms for calculating polarizabilities and long-range atom–atom interactions

    International Nuclear Information System (INIS)

    Jiang, Jun; Mitroy, J.; Cheng, Yongjun; Bromley, M.W.J.

    2015-01-01

    Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C 6 , C 8 and C 10 atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations

  13. Attractive interaction between an atom and a surface

    International Nuclear Information System (INIS)

    Manson, J.R.; Ritchie, R.H.

    1983-01-01

    Using a general self-energy formalism we examine the interaction between an atom and a surface. Considered in detail are deviations from the Van der Waals force due to recoil and finite velocity of the particle. Calculations for positronium near a metal surface show that for such systems recoil and velocity effects are significant even at very low energies. We also examine the mechanisms for energy exchange with the surface and calculations show that single quantum events do not always dominate the exchange rates. 8 references, 2 figures

  14. Simulating evaporation of surface atoms of thorium-alloyed tungsten in strong electronic fields

    International Nuclear Information System (INIS)

    Bochkanov, P.V.; Mordyuk, V.S.; Ivanov, Yu.I.

    1984-01-01

    By the Monte Carlo method simulating evaporation of surface atoms of thorium - alloyed tungsten in strong electric fields is realized. The strongest evaporation of surface atoms of pure tungsten as compared with thorium-alloyed tungsten in the contentration range of thorium atoms in tungsten matrix (1.5-15%) is shown. The evaporation rate increases with thorium atoms concentration. Determined is in relative units the surface atoms evaporation rate depending on surface temperature and electric field stront

  15. Sodium Atoms in the Lunar Exotail: Observed Velocity and Spatial Distributions

    Science.gov (United States)

    Line, Michael R.; Mierkiewicz, E. J.; Oliversen, R. J.; Wilson, J. K.; Haffner, L. M.; Roesler, F. L.

    2011-01-01

    The lunar sodium tail extends long distances due to radiation pressure on sodium atoms in the lunar exosphere. Our earlier observations determined the average radial velocity of sodium atoms moving down the lunar tail beyond Earth along the Sun-Moon-Earth line (i.e., the anti-lunar point) to be 12.4 km/s. Here we use the Wisconsin H-alpha Mapper to obtain the first kinematically resolved maps of the intensity and velocity distribution of this emission over a 15 x times 15 deg region on the sky near the anti-lunar point. We present both spatially and spectrally resolved observations obtained over four nights around new moon in October 2007. The spatial distribution of the sodium atoms is elongated along the ecliptic with the location of the peak intensity drifting 3 degrees east along the ecliptic per night. Preliminary modeling results suggest that the spatial and velocity distributions in the sodium exotail are sensitive to the near surface lunar sodium velocity distribution and that observations of this sort along with detailed modeling offer new opportunities to describe the time history of lunar surface sputtering over several days.

  16. Interatomic potentials from rainbow scattering of keV noble gas atoms under axial surface channeling

    International Nuclear Information System (INIS)

    Schueller, A.; Wethekam, S.; Mertens, A.; Maass, K.; Winter, H.; Gaertner, K.

    2005-01-01

    For grazing scattering of keV Ne and Ar atoms from a Ag(1 1 1) and a Cu(1 1 1) surface under axial surface channeling conditions we observe well defined peaks in the angular distributions for scattered projectiles. These peaks can be attributed to 'rainbow-scattering' and are closely related to the geometry of potential energy surfaces which can be approximated by the superposition of continuum potentials along strings of atoms in the surface plane. The dependence of rainbow angles on the scattering geometry provides stringent tests on the scattering potentials. From classical trajectory calculations based on universal (ZBL), adjusted Moliere (O'Connor and Biersack), and individual interatomic potentials we obtain corresponding rainbow angles for comparison with the experimental data. We find good overall agreement with the experiments for a description of trajectories based on adjusted Moliere and individual potentials, whereas the agreement is poorer for potentials with ZBL screening

  17. Spatial dispersion in atom-surface quantum friction

    International Nuclear Information System (INIS)

    Reiche, D.; Dalvit, D. A. R.; Busch, K.; Intravaia, F.

    2017-01-01

    We investigate the influence of spatial dispersion on atom-surface quantum friction. We show that for atom-surface separations shorter than the carrier's mean free path within the material, the frictional force can be several orders of magnitude larger than that predicted by local optics. In addition, when taking into account spatial dispersion effects, we show that the commonly used local thermal equilibrium approximation underestimates by approximately 95% the drag force, obtained by employing the recently reported nonequilibrium fluctuation-dissipation relation for quantum friction. Unlike the treatment based on local optics, spatial dispersion in conjunction with corrections to local thermal equilibrium change not only the magnitude but also the distance scaling of quantum friction.

  18. Improved density functional calculations for atoms, molecules and surfaces

    International Nuclear Information System (INIS)

    Fricke, B.; Anton, J.; Fritzsche, S.; Sarpe-Tudoran, C.

    2005-01-01

    The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomic molecules, and some surface simulations. We find that the accuracy of our density functional calculations for the smaller systems is comparable to good quantum chemical calculations, and thus this method provides a sound basis for larger systems where no such comparison is possible. (author)

  19. Atomic structures of Cd Te and Cd Se (110) surfaces

    International Nuclear Information System (INIS)

    Watari, K.; Ferraz, A.C.

    1996-01-01

    Results are reported based on the self-consistent density-functional theory, within the local-density approximation using ab-initio pseudopotentials of clean Cd Te and Cd Se (110) surfaces. We analyzed the trends for the equilibrium atomic structures, and the variations of the bond angles at the II-VI (110). The calculations are sensitive to the ionicity of the materials and the results are in agreement with the arguments which predict that the relaxed zinc-blend (110) surfaces should depend on ionicity. (author). 17 refs., 1 figs., 3 tabs

  20. Interaction of antihydrogen with ordinary atoms and solid surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Froelich, Piotr, E-mail: piotr.froelich@kvac.uu.se; Voronin, Alexei [P.N. Lebedev Physical Institute (Russian Federation)

    2012-12-15

    The characteristic features of cold atom-antiatom collisions and antiatom-surface interactions are discussed and illustrated by the results for hydrogen-antihydrogen scattering and for quantum reflection of ultracold antihydrogen from a metallic surface. We discuss in some detail the case of spin-exchange in ultracold H-bar - H collisions, exposing the interplay of Coulombic, strong and dispersive forces, and demonstrating the sensitivity of the spin-exchange cross sections to hypothetical violations of Charge-Parity-Time (CPT) symmetry.

  1. Transfer matrix treatment of atomic chemisorption on transition metal surface

    International Nuclear Information System (INIS)

    Mariz, A.M.; Koiller, B.

    1980-05-01

    The atomic adsorption of hydrogen on paramagnetic nickel 100 surface is studied, using the Green's function formalism and the transfer matrix technique, which allows the treatment of the geometry of the system in a simple manner. Electronic correlation at the adatom orbital in a self consistent Hartree-Fock approach is incorporated. The adsorption energy, local density of states and charge transfer between the solid and the adatom are calculated for different crystal structures (sc and fcc) and adatom positions at the surface. The results are discussed in comparison with other theories and with available experimental data, with satisfactory agreement. (Author) [pt

  2. On equilibrium charge distribution above dielectric surface

    Directory of Open Access Journals (Sweden)

    Yu.V. Slyusarenko

    2009-01-01

    Full Text Available The problem of the equilibrium state of the charged many-particle system above dielectric surface is formulated. We consider the case of the presence of the external attractive pressing field and the case of its absence. The equilibrium distributions of charges and the electric field, which is generated by these charges in the system in the case of ideally plane dielectric surface, are obtained. The solution of electrostatic equations of the system under consideration in case of small spatial heterogeneities caused by the dielectric surface, is also obtained. These spatial inhomogeneities can be caused both by the inhomogeneities of the surface and by the inhomogeneous charge distribution upon it. In particular, the case of the "wavy" spatially periodic surface is considered taking into account the possible presence of the surface charges.

  3. Atomic Resolution Imaging and Quantification of Chemical Functionality of Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, Udo D. [Yale Univ., New Haven, CT (United States). Dept. of Mechanical Engineering and Materials Science; Altman, Eric I. [Yale Univ., New Haven, CT (United States). Dept. of Chemical and Environmental Engineering

    2014-12-10

    The work carried out from 2006-2014 under DoE support was targeted at developing new approaches to the atomic-scale characterization of surfaces that include species-selective imaging and an ability to quantify chemical surface interactions with site-specific accuracy. The newly established methods were subsequently applied to gain insight into the local chemical interactions that govern the catalytic properties of model catalysts of interest to DoE. The foundation of our work was the development of three-dimensional atomic force microscopy (3DAFM), a new measurement mode that allows the mapping of the complete surface force and energy fields with picometer resolution in space (x, y, and z) and piconewton/millielectron volts in force/energy. From this experimental platform, we further expanded by adding the simultaneous recording of tunneling current (3D-AFM/STM) using chemically well-defined tips. Through comparison with simulations, we were able to achieve precise quantification and assignment of local chemical interactions to exact positions within the lattice. During the course of the project, the novel techniques were applied to surface-oxidized copper, titanium dioxide, and silicon oxide. On these materials, defect-induced changes to the chemical surface reactivity and electronic charge density were characterized with site-specific accuracy.

  4. Site-selective substitutional doping with atomic precision on stepped Al (111) surface by single-atom manipulation.

    Science.gov (United States)

    Chen, Chang; Zhang, Jinhu; Dong, Guofeng; Shao, Hezhu; Ning, Bo-Yuan; Zhao, Li; Ning, Xi-Jing; Zhuang, Jun

    2014-01-01

    In fabrication of nano- and quantum devices, it is sometimes critical to position individual dopants at certain sites precisely to obtain the specific or enhanced functionalities. With first-principles simulations, we propose a method for substitutional doping of individual atom at a certain position on a stepped metal surface by single-atom manipulation. A selected atom at the step of Al (111) surface could be extracted vertically with an Al trimer-apex tip, and then the dopant atom will be positioned to this site. The details of the entire process including potential energy curves are given, which suggests the reliability of the proposed single-atom doping method.

  5. Evaporative cooling of cold atoms in a surface trap

    International Nuclear Information System (INIS)

    Hammes, M.; Rychtarik, D.; Grimm, R.

    2001-01-01

    Full text: Trapping cold atom close to a surface is a promising route for attaining a two-dimensional quantum gas. We present our gravito-optical surface trap (LOST), which consists of a horizontal evanescent-wave atom mirror in combination with a blue-detuned hollow beam for transverse confinement. Optical pre-cooling based on inelastic reflections from the evanescent wave provides good starting conditions for subsequent evaporative cooling, which can be realized by ramping down the optical potentials of the trap. Already our preliminary experiments (performed at the MPI fuer Kernphysik in Heidelberg) show a 100-fold increase in phase-space density and temperature reduction to 300 nK. Substantial further improvements can be expected in our greatly improved set-up after the recent transfer of the experiment to Innsbruck. By eliminating heating processes, optimizing the evaporation ramp, polarizing the atoms and by using an additional far red-detuned laser beam we expect to soon reach the conditions of quantum degeneracy and/or two-dimensionality. (author)

  6. Apparatus and method for atmospheric pressure reactive atom plasma processing for shaping of damage free surfaces

    Science.gov (United States)

    Carr,; Jeffrey, W [Livermore, CA

    2009-03-31

    Fabrication apparatus and methods are disclosed for shaping and finishing difficult materials with no subsurface damage. The apparatus and methods use an atmospheric pressure mixed gas plasma discharge as a sub-aperture polisher of, for example, fused silica and single crystal silicon, silicon carbide and other materials. In one example, workpiece material is removed at the atomic level through reaction with fluorine atoms. In this example, these reactive species are produced by a noble gas plasma from trace constituent fluorocarbons or other fluorine containing gases added to the host argon matrix. The products of the reaction are gas phase compounds that flow from the surface of the workpiece, exposing fresh material to the etchant without condensation and redeposition on the newly created surface. The discharge provides a stable and predictable distribution of reactive species permitting the generation of a predetermined surface by translating the plasma across the workpiece along a calculated path.

  7. Atomic and electronic structure of surfaces theoretical foundations

    CERN Document Server

    Lannoo, Michel

    1991-01-01

    Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.

  8. Single atom anisotropic magnetoresistance on a topological insulator surface

    KAUST Repository

    Narayan, Awadhesh

    2015-03-12

    © 2015 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft. We demonstrate single atom anisotropic magnetoresistance on the surface of a topological insulator, arising from the interplay between the helical spin-momentum-locked surface electronic structure and the hybridization of the magnetic adatom states. Our first-principles quantum transport calculations based on density functional theory for Mn on Bi2Se3 elucidate the underlying mechanism. We complement our findings with a two dimensional model valid for both single adatoms and magnetic clusters, which leads to a proposed device setup for experimental realization. Our results provide an explanation for the conflicting scattering experiments on magnetic adatoms on topological insulator surfaces, and reveal the real space spin texture around the magnetic impurity.

  9. Transient atomic behavior and surface kinetics of GaN

    International Nuclear Information System (INIS)

    Moseley, Michael; Billingsley, Daniel; Henderson, Walter; Trybus, Elaissa; Doolittle, W. Alan

    2009-01-01

    An in-depth model for the transient behavior of metal atoms adsorbed on the surface of GaN is developed. This model is developed by qualitatively analyzing transient reflection high energy electron diffraction (RHEED) signals, which were recorded for a variety of growth conditions of GaN grown by molecular-beam epitaxy (MBE) using metal-modulated epitaxy (MME). Details such as the initial desorption of a nitrogen adlayer and the formation of the Ga monolayer, bilayer, and droplets are monitored using RHEED and related to Ga flux and shutter cycles. The suggested model increases the understanding of the surface kinetics of GaN, provides an indirect method of monitoring the kinetic evolution of these surfaces, and introduces a novel method of in situ growth rate determination.

  10. Transient atomic behavior and surface kinetics of GaN

    Science.gov (United States)

    Moseley, Michael; Billingsley, Daniel; Henderson, Walter; Trybus, Elaissa; Doolittle, W. Alan

    2009-07-01

    An in-depth model for the transient behavior of metal atoms adsorbed on the surface of GaN is developed. This model is developed by qualitatively analyzing transient reflection high energy electron diffraction (RHEED) signals, which were recorded for a variety of growth conditions of GaN grown by molecular-beam epitaxy (MBE) using metal-modulated epitaxy (MME). Details such as the initial desorption of a nitrogen adlayer and the formation of the Ga monolayer, bilayer, and droplets are monitored using RHEED and related to Ga flux and shutter cycles. The suggested model increases the understanding of the surface kinetics of GaN, provides an indirect method of monitoring the kinetic evolution of these surfaces, and introduces a novel method of in situ growth rate determination.

  11. Deposition of size-selected atomic clusters on surfaces

    International Nuclear Information System (INIS)

    Carroll, S.J.

    1999-06-01

    This dissertation presents technical developments and experimental and computational investigations concerned with the deposition of atomic clusters onto surfaces. It consists of a collection of papers, in which the main body of results are contained, and four chapters presenting a subject review, computational and experimental techniques and a summary of the results presented in full within the papers. Technical work includes the optimization of an existing gas condensation cluster source based on evaporation, and the design, construction and optimization of a new gas condensation cluster source based on RF magnetron sputtering (detailed in Paper 1). The result of cluster deposition onto surfaces is found to depend on the cluster deposition energy; three impact energy regimes are explored in this work. (1) Low energy: n clusters create a defect in the surface, which pins the cluster in place, inhibiting cluster diffusion at room temperature (Paper V). (3) High energy: > 50 eV/atom. The clusters implant into the surface. For Ag 20 -Ag 200 clusters, the implantation depth is found to scale linearly with the impact energy and inversely with the cross-sectional area of the cluster, with an offset due to energy lost to the elastic compression of the surface (Paper VI). For smaller (Ag 3 ) clusters the orientation of the cluster with respect to the surface and the precise impact site play an important role; the impact energy has to be 'focused' in order for cluster implantation to occur (Paper VII). The application of deposited clusters for the creation of Si nanostructures by plasma etching is explored in Paper VIII. (author)

  12. Atomic force microscopy analysis of different surface treatments of Ti dental implant surfaces

    International Nuclear Information System (INIS)

    Bathomarco, R.V.; Solorzano, G.; Elias, C.N.; Prioli, R.

    2004-01-01

    The surface of commercial unalloyed titanium, used in dental implants, was analyzed by atomic force microscopy. The morphology, roughness, and surface area of the samples, submitted to mechanically-induced erosion, chemical etching and a combination of both, were compared. The results show that surface treatments strongly influence the dental implant physical and chemical properties. An analysis of the length dependence of the implant surface roughness shows that, for scan sizes larger than 50 μm, the average surface roughness is independent of the scanning length and that the surface treatments lead to average surface roughness in the range of 0.37 up to 0.48 μm. It is shown that the implant surface energy is sensitive to the titanium surface area. As the area increases there is a decrease in the surface contact angle

  13. Atomic force microscopy analysis of different surface treatments of Ti dental implant surfaces

    Science.gov (United States)

    Bathomarco, Ti R. V.; Solorzano, G.; Elias, C. N.; Prioli, R.

    2004-06-01

    The surface of commercial unalloyed titanium, used in dental implants, was analyzed by atomic force microscopy. The morphology, roughness, and surface area of the samples, submitted to mechanically-induced erosion, chemical etching and a combination of both, were compared. The results show that surface treatments strongly influence the dental implant physical and chemical properties. An analysis of the length dependence of the implant surface roughness shows that, for scan sizes larger than 50 μm, the average surface roughness is independent of the scanning length and that the surface treatments lead to average surface roughness in the range of 0.37 up to 0.48 μm. It is shown that the implant surface energy is sensitive to the titanium surface area. As the area increases there is a decrease in the surface contact angle.

  14. Enhanced atom mobility on the surface of a metastable film.

    Science.gov (United States)

    Picone, A; Riva, M; Fratesi, G; Brambilla, A; Bussetti, G; Finazzi, M; Duò, L; Ciccacci, F

    2014-07-25

    A remarkable enhancement of atomic diffusion is highlighted by scanning tunneling microscopy performed on ultrathin metastable body-centered tetragonal Co films grown on Fe(001). The films follow a nearly perfect layer-by-layer growth mode with a saturation island density strongly dependent on the layer on which the nucleation occurs, indicating a lowering of the diffusion barrier. Density functional theory calculations reveal that this phenomenon is driven by the increasing capability of the film to accommodate large deformations as the thickness approaches the limit at which a structural transition occurs. These results disclose the possibility of tuning surface diffusion dynamics and controlling cluster nucleation and self-organization.

  15. Simulating atomic-scale phenomena on surfaces of unconventional superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Kreisel, Andreas; Andersen, Brian [Niels Bohr Institute (Denmark); Choubey, Peayush; Hirschfeld, Peter [Univ. of Florida (United States); Berlijn, Tom [CNMS and CSMD, Oak Ridge National Laboratory (United States)

    2016-07-01

    Interest in atomic scale effects in superconductors has increased because of two general developments: First, the discovery of new materials as the cuprate superconductors, heavy fermion and Fe-based superconductors where the coherence length of the cooper pairs is as small to be comparable to the lattice constant, rendering small scale effects important. Second, the experimental ability to image sub-atomic features using scanning-tunneling microscopy which allows to unravel numerous physical properties of the homogeneous system such as the quasi particle excitation spectra or various types of competing order as well as properties of local disorder. On the theoretical side, the available methods are based on lattice models restricting the spatial resolution of such calculations. In the present project we combine lattice calculations using the Bogoliubov-de Gennes equations describing the superconductor with wave function information containing sub-atomic resolution obtained from ab initio approaches. This allows us to calculate phenomena on surfaces of superconductors as directly measured in scanning tunneling experiments and therefore opens the possibility to identify underlying properties of these materials and explain observed features of disorder. It will be shown how this method applies to the cuprate material Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} and a Fe based superconductor.

  16. Surface modification of highly oriented pyrolytic graphite by reaction with atomic nitrogen at high temperatures

    International Nuclear Information System (INIS)

    Zhang Luning; Pejakovic, Dusan A.; Geng Baisong; Marschall, Jochen

    2011-01-01

    Dry etching of {0 0 0 1} basal planes of highly oriented pyrolytic graphite (HOPG) using active nitridation by nitrogen atoms was investigated at low pressures and high temperatures. The etching process produces channels at grain boundaries and pits whose shapes depend on the reaction temperature. For temperatures below 600 deg. C, the majority of pits are nearly circular, with a small fraction of hexagonal pits with rounded edges. For temperatures above 600 deg. C, the pits are almost exclusively hexagonal with straight edges. The Raman spectra of samples etched at 1000 deg. C show the D mode near 1360 cm -1 , which is absent in pristine HOPG. For deep hexagonal pits that penetrate many graphene layers, neither the surface number density of pits nor the width of pit size distribution changes substantially with the nitridation time, suggesting that these pits are initiated at a fixed number of extended defects intersecting {0 0 0 1} planes. Shallow pits that penetrate 1-2 graphene layers have a wide size distribution, which suggests that these pits are initiated on pristine graphene surfaces from lattice vacancies continually formed by N atoms. A similar wide size distribution of shallow hexagonal pits is observed in an n-layer graphene sample after N-atom etching.

  17. Application of empirical hydration distribution functions around polar atoms for assessing hydration structures of proteins

    International Nuclear Information System (INIS)

    Matsuoka, Daisuke; Nakasako, Masayoshi

    2013-01-01

    Highlights: ► Empirical distribution functions of water molecules in protein hydration are made. ► The functions measure how hydrogen-bond geometry in hydration deviate from ideal. ► The functions assess experimentally identified hydration structures of protein. - Abstract: To quantitatively characterize hydrogen-bond geometry in local hydration structures of proteins, we constructed a set of empirical hydration distribution functions (EHDFs) around polar protein atoms in the main and side chains of 11 types of hydrophilic amino acids (D. Matsuoka, M. Nakasako, Journal of Physical Chemistry B 113 (2009) 11274). The functions are the ensemble average of possible hydration patterns around the polar atoms, and describe the anisotropic deviations from ideal hydrogen bond geometry. In addition, we defined probability distribution function of hydration water molecules (PDFH) over the hydrophilic surface of a protein as the sum of EHDFs of solvent accessible polar protein atoms. The functions envelop most of hydration sites identified in crystal structures of proteins (D. Matsuoka, M. Nakasako, Journal of Physical Chemistry B 114 (2010) 4652). Here we propose the application of EHDFs and PDFHs for assessing crystallographically identified hydration structures of proteins. First, hydration water molecules are classified with respect to the geometry in hydrogen bonds in referring EHDFs. Difference Fourier electron density map weighted by PDFH of protein is proposed to identify easily density peaks as candidates of hydration water molecules. A computer program implementing those ideas was developed and used for assessing hydration structures of proteins

  18. Atomization of magnesium, strontium, barium and lead nitrates on surface of graphite atomizers

    International Nuclear Information System (INIS)

    Nagdaev, V.K.; Pupyshev, A.A.

    1982-01-01

    Modelling of the processes on graphite surface using differential-thermal analysis and graphite core with identification of decomposition products of magnesium, strontium, barium and lead nitrates by X-ray analysis has shown that carbon promotes the formation of strontium, barium and lead carbonates. The obtained temperatures of strontium and barium carbonate decomposition to oxides agree satisfactorily with calculation ones. Magnesium nitrate does not react with carbon. Formation of strontium and barium carbonates results in considerable slowing down of the process of gaseous oxide dissociation. Lead carbonate is unstable and rapidly decomposes to oxide with subsequent reduction to free metal. Formation of magnesium, strontium and barium free atoms is connected with appearance of gaseous oxides in analytical zone. Oxide and free metal lead are present on graphite surface simultaneously

  19. Attractive interaction between Mn atoms on the GaAs(110) surface observed by scanning tunneling microscopy.

    Science.gov (United States)

    Taninaka, Atsushi; Yoshida, Shoji; Kanazawa, Ken; Hayaki, Eiko; Takeuchi, Osamu; Shigekawa, Hidemi

    2016-06-16

    Scanning tunneling microscopy/spectroscopy (STM/STS) was carried out to investigate the structures of Mn atoms deposited on a GaAs(110) surface at room temperature to directly observe the characteristics of interactions between Mn atoms in GaAs. Mn atoms were paired with a probability higher than the random distribution, indicating an attractive interaction between them. In fact, re-pairing of unpaired Mn atoms was observed during STS measurement. The pair initially had a new structure, which was transformed during STS measurement into one of those formed by atom manipulation at 4 K. Mn atoms in pairs and trimers were aligned in the direction, which is theoretically predicted to produce a high Curie temperature.

  20. Influence of the atomic structure of crystal surfaces on the surface diffusion in medium temperature range

    International Nuclear Information System (INIS)

    Cousty, J.P.

    1981-12-01

    In this work, we have studied the influence of atomic structure of crystal surface on surface self-diffusion in the medium temperature range. Two ways are followed. First, we have measured, using a radiotracer method, the self-diffusion coefficient at 820 K (0.6 T melting) on copper surfaces both the structure and the cleanliness of which were stable during the experiment. We have shown that the interaction between mobile surface defects and steps can be studied through measurements of the anisotropy of surface self diffusion. Second, the behavior of an adatom and a surface vacancy is simulated via a molecular dynamics method, on several surfaces of a Lennard Jones crystal. An inventory of possible migration mechanisms of these surface defects has been drawn between 0.35 and 0.45 Tsub(m). The results obtained with both the methods point out the influence of the surface atomic structure in surface self-diffusion in the medium temperature range [fr

  1. ONE-DIMENSIONAL ORDERING OF IN ATOMS IN A CU(100) SURFACE

    NARCIS (Netherlands)

    BREEMAN, M; BARKEMA, GT; BOERMA, DO

    1994-01-01

    A Monte Carlo study of the ordering of In atoms embedded in the top layer of a Cu(100) surface is presented. The interaction energies between the In and Cu atoms were derived from atom-embedding calculations, with Finnis-Sinclair potentials. It was found that the interaction between In atoms in the

  2. Simultaneous measurement of the surface temperature and the release of atomic sodium from a burning black liquor droplet

    Energy Technology Data Exchange (ETDEWEB)

    Saw, Woei L.; Nathan, Graham J. [Centre for Energy Technology, The University of Adelaide, SA 5006 (Australia); School of Mechanical Engineering, The University of Adelaide (Australia); Ashman, Peter J.; Alwahabi, Zeyad T. [Centre for Energy Technology, The University of Adelaide, SA 5006 (Australia); School of Chemical Engineering, The University of Adelaide (Australia); Hupa, Mikko [Process Chemistry Centre, Aabo Akademi, Biskopsgatan 8 FI-20500 Aabo (Finland)

    2010-04-15

    Simultaneous measurement of the concentration of released atomic sodium, swelling, surface and internal temperature of a burning black liquor droplet under a fuel lean and rich condition has been demonstrated. Two-dimensional two-colour optical pyrometry was employed to determine the distribution of surface temperature and swelling of a burning black liquor droplet while planar laser-induced fluorescence (PLIF) was used to assess the temporal release of atomic sodium. The key findings of these studies are: (i) the concentration of atomic sodium released during the drying and devolatilisation stages was found to be correlated with the external surface area; and (ii) the insignificant presence of atomic sodium during the char consumption stage shows that sodium release is suppressed by the lower temperature and by the high CO{sub 2} content in and around the particle. (author)

  3. Atomic diffusion in laser surface modified AISI H13 steel

    Science.gov (United States)

    Aqida, S. N.; Brabazon, D.; Naher, S.

    2013-07-01

    This paper presents a laser surface modification process of AISI H13 steel using 0.09 and 0.4 mm of laser spot sizes with an aim to increase surface hardness and investigate elements diffusion in laser modified surface. A Rofin DC-015 diffusion-cooled CO2 slab laser was used to process AISI H13 steel samples. Samples of 10 mm diameter were sectioned to 100 mm length in order to process a predefined circumferential area. The parameters selected for examination were laser peak power, pulse repetition frequency (PRF), and overlap percentage. The hardness properties were tested at 981 mN force. Metallographic study and energy dispersive X-ray spectroscopy (EDXS) were performed to observe presence of elements and their distribution in the sample surface. Maximum hardness achieved in the modified surface was 1017 HV0.1. Change of elements composition in the modified layer region was detected in the laser modified samples. Diffusion possibly occurred for C, Cr, Cu, Ni, and S elements. The potential found for increase in surface hardness represents an important method to sustain tooling life. The EDXS findings signify understanding of processing parameters effect on the modified surface composition.

  4. Characterization of polymer surface structure and surface mechanical behaviour by sum frequency generation surface vibrational spectroscopy and atomic force microscopy

    International Nuclear Information System (INIS)

    Opdahl, Aric; Koffas, Telly S; Amitay-Sadovsky, Ella; Kim, Joonyeong; Somorjai, Gabor A

    2004-01-01

    Sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM) have been used to study polymer surface structure and surface mechanical behaviour, specifically to study the relationships between the surface properties of polymers and their bulk compositions and the environment to which the polymer is exposed. The combination of SFG surface vibrational spectroscopy and AFM has been used to study surface segregation behaviour of polyolefin blends at the polymer/air and polymer/solid interfaces. SFG surface vibrational spectroscopy and AFM experiments have also been performed to characterize the properties of polymer/liquid and polymer/polymer interfaces, focusing on hydrogel materials. A method was developed to study the surface properties of hydrogel contact lens materials at various hydration conditions. Finally, the effect of mechanical stretching on the surface composition and surface mechanical behaviour of phase-separated polyurethanes, used in biomedical implant devices, has been studied by both SFG surface vibrational spectroscopy and AFM. (topical review)

  5. Fine tuning the ionic liquid-vacuum outer atomic surface using ion mixtures.

    Science.gov (United States)

    Villar-Garcia, Ignacio J; Fearn, Sarah; Ismail, Nur L; McIntosh, Alastair J S; Lovelock, Kevin R J

    2015-03-28

    Ionic liquid-vacuum outer atomic surfaces can be created that are remarkably different from the bulk composition. In this communication we demonstrate, using low-energy ion scattering (LEIS), that for ionic liquid mixtures the outer atomic surface shows significantly more atoms from anions with weaker cation-anion interactions (and vice versa).

  6. Mapping Hydrophobicity on the Protein Molecular Surface at Atom-Level Resolution

    Science.gov (United States)

    Nicolau Jr., Dan V.; Paszek, Ewa; Fulga, Florin; Nicolau, Dan V.

    2014-01-01

    A precise representation of the spatial distribution of hydrophobicity, hydrophilicity and charges on the molecular surface of proteins is critical for the understanding of the interaction with small molecules and larger systems. The representation of hydrophobicity is rarely done at atom-level, as this property is generally assigned to residues. A new methodology for the derivation of atomic hydrophobicity from any amino acid-based hydrophobicity scale was used to derive 8 sets of atomic hydrophobicities, one of which was used to generate the molecular surfaces for 35 proteins with convex structures, 5 of which, i.e., lysozyme, ribonuclease, hemoglobin, albumin and IgG, have been analyzed in more detail. Sets of the molecular surfaces of the model proteins have been constructed using spherical probes with increasingly large radii, from 1.4 to 20 Å, followed by the quantification of (i) the surface hydrophobicity; (ii) their respective molecular surface areas, i.e., total, hydrophilic and hydrophobic area; and (iii) their relative densities, i.e., divided by the total molecular area; or specific densities, i.e., divided by property-specific area. Compared with the amino acid-based formalism, the atom-level description reveals molecular surfaces which (i) present an approximately two times more hydrophilic areas; with (ii) less extended, but between 2 to 5 times more intense hydrophilic patches; and (iii) 3 to 20 times more extended hydrophobic areas. The hydrophobic areas are also approximately 2 times more hydrophobicity-intense. This, more pronounced “leopard skin”-like, design of the protein molecular surface has been confirmed by comparing the results for a restricted set of homologous proteins, i.e., hemoglobins diverging by only one residue (Trp37). These results suggest that the representation of hydrophobicity on the protein molecular surfaces at atom-level resolution, coupled with the probing of the molecular surface at different geometric resolutions

  7. Functionalized polymer film surfaces via surface-initiated atom transfer radical polymerization

    International Nuclear Information System (INIS)

    Hu, Y.; Li, J.S.; Yang, W.T.; Xu, F.J.

    2013-01-01

    The ability to manipulate and control the surface properties of polymer films, without altering the substrate properties, is crucial to their wide-spread applications. In this work, a simple one-step method for the direct immobilization of benzyl chloride groups (as the effective atom transfer radical polymerization (ATRP) initiators) on the polymer films was developed via benzophenone-induced coupling of 4-vinylbenzyl chloride (VBC). Polyethylene (PE) and nylon films were selected as examples of polymer films to illustrate the functionalization of film surfaces via surface-initiated ATRP. Functional polymer brushes of (2-dimethylamino)ethyl methacrylate, sodium 4-styrenesulfonate, 2-hydroxyethyl methacrylate and glycidyl methacrylate, as well as their block copolymer brushes, have been prepared via surface-initiated ATRP from the VBC-coupled PE or nylon film surfaces. With the development of a simple approach to the covalent immobilization of ATRP initiators on polymer film surfaces and the inherent versatility of surface-initiated ATRP, the surface functionality of polymer films can be precisely tailored. - Highlights: ► Atom transfer radical polymerization initiators were simply immobilized. ► Different functional polymer brushes were readily prepared. ► Their block copolymer brushes were also readily prepared

  8. Engineering Particle Surface Chemistry and Electrochemistry with Atomic Layer Deposition

    Science.gov (United States)

    Jackson, David Hyman Kentaro

    Atomic layer deposition (ALD) is a vapor phase thin film coating technique that relies on sequential pulsing of precursors that undergo self-limited surface reactions. The self- limiting reactions and gas phase diffusion of the precursors together enable the conformal coating of microstructured particles with a high degree of thickness and compositional control. ALD may be used to deposit thin films that introduce new functionalities to a particle surface. Examples of new functionalities include: chemical reactivity, a mechanically strong protective coating, and an electrically resistive layer. The coatings properties are often dependent on the bulk properties and microstructure of the particle substrate, though they usually do not affect its bulk properties or microstructure. Particle ALD finds utility in the ability to synthesize well controlled, model systems, though it is expensive due to the need for costly metal precursors that are dangerous and require special handling. Enhanced properties due to ALD coating of particles in various applications are frequently described empirically, while the details of their enhancement mechanisms often remain the focus of ongoing research in the field. This study covers the various types of particle ALD and attempts to describe them from the unifying perspective of surface science.

  9. Study on the GaAs(110) surface using emitted atom spectrometry

    International Nuclear Information System (INIS)

    Gayone, J.E.; Sanchez, E.A.; Grizzi, O.; Universidad Nacional de Cuyo, Mendoza

    1998-01-01

    The facilities implemented at Bariloche for the ion scattering spectrometry is described, and recent examples of the technique application to determine the atomic structure and the composition of metallic and semiconductor surfaces, pure and with different adsorbates. The surface analysis technique using emitted atom spectrometry is discussed. The sensitivity to the GaAs(110) surface atomic relaxation is presented, and the kinetic of hydrogen adsorption by the mentioned surface is studied

  10. Fabrication of Robust and Antifouling Superhydrophobic Surfaces via Surface-Initiated Atom Transfer Radical Polymerization.

    Science.gov (United States)

    Xue, Chao-Hua; Guo, Xiao-Jing; Ma, Jian-Zhong; Jia, Shun-Tian

    2015-04-22

    Superhydrophobic surfaces were fabricated via surface-initiated atom transfer radical polymerization of fluorinated methacrylates on poly(ethylene terephthalate) (PET) fabrics. The hydrophobicity of the PET fabric was systematically tunable by controlling the polymerization time. The obtained superhydrophobic fabrics showed excellent chemical robustness even after exposure to different chemicals, such as acid, base, salt, acetone, and toluene. Importantly, the fabrics maintained superhydrophobicity after 2500 abrasion cycles, 100 laundering cycles, and long time exposure to UV irradiation. Also, the surface of the superhydrophobic fabrics showed excellent antifouling properties.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  12. Dopant distributions in n-MOSFET structure observed by atom probe tomography

    International Nuclear Information System (INIS)

    Inoue, K.; Yano, F.; Nishida, A.; Takamizawa, H.; Tsunomura, T.; Nagai, Y.; Hasegawa, M.

    2009-01-01

    The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

  13. Dopant distributions in n-MOSFET structure observed by atom probe tomography.

    Science.gov (United States)

    Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

    2009-11-01

    The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

  14. Relative-velocity distributions for two effusive atomic beams in counterpropagating and crossed-beam geometries

    DEFF Research Database (Denmark)

    Pedersen, Jens Olaf Pepke

    2012-01-01

    Formulas are presented for calculating the relative velocity distributions in effusive, orthogonal crossed beams and in effusive, counterpropagating beams experiments, which are two important geometries for the study of collision processes between atoms. In addition formulas for the distributions...

  15. Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system.

    Science.gov (United States)

    Daon, Shauli; Pollak, Eli

    2015-05-07

    The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.

  16. Surface microstructure of bitumen characterized by atomic force microscopy.

    Science.gov (United States)

    Yu, Xiaokong; Burnham, Nancy A; Tao, Mingjiang

    2015-04-01

    Bitumen, also called asphalt binder, plays important roles in many industrial applications. It is used as the primary binding agent in asphalt concrete, as a key component in damping systems such as rubber, and as an indispensable additive in paint and ink. Consisting of a large number of hydrocarbons of different sizes and polarities, together with heteroatoms and traces of metals, bitumen displays rich surface microstructures that affect its rheological properties. This paper reviews the current understanding of bitumen's surface microstructures characterized by Atomic Force Microscopy (AFM). Microstructures of bitumen develop to different forms depending on crude oil source, thermal history, and sample preparation method. While some bitumens display surface microstructures with fine domains, flake-like domains, and dendrite structuring, 'bee-structures' with wavy patterns several micrometers in diameter and tens of nanometers in height are commonly seen in other binders. Controversy exists regarding the chemical origin of the 'bee-structures', which has been related to the asphaltene fraction, the metal content, or the crystallizing waxes in bitumen. The rich chemistry of bitumen can result in complicated intermolecular associations such as coprecipitation of wax and metalloporphyrins in asphaltenes. Therefore, it is the molecular interactions among the different chemical components in bitumen, rather than a single chemical fraction, that are responsible for the evolution of bitumen's diverse microstructures, including the 'bee-structures'. Mechanisms such as curvature elasticity and surface wrinkling that explain the rippled structures observed in polymer crystals might be responsible for the formation of 'bee-structures' in bitumen. Despite the progress made on morphological characterization of bitumen using AFM, the fundamental question whether the microstructures observed on bitumen surfaces represent its bulk structure remains to be addressed. In addition

  17. Dynamics of gas-surface interactions atomic-level understanding of scattering processes at surfaces

    CERN Document Server

    Díez Muniño, Ricardo

    2013-01-01

    This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level u...

  18. Experimental studies of ions and atoms interaction with insulating surface; Etude experimentale de l'interaction rasante d'atomes et d'ions sur des surfaces isolantes

    Energy Technology Data Exchange (ETDEWEB)

    Villette, J

    2000-10-15

    Grazing collisions (<3 deg.) of keV ions and atoms: H{sup +}, Ne{sup +}, Ne{sup 0}, Na{sup +} on LiF (001) single crystal, an ionic insulator, are investigated by a time of flight technique. The incident beam is chopped and the scattered particles are collected on a position sensitive detector providing differential cross section while the time of flight gives the energy loss. Deflection plates allow the charge state analysis. Secondary electrons are detected in coincidence allowing direct measurements of electron emission yield, angular and energetic distribution through time of flight measurements. The target electronic structure characterized by a large band gap, governs the collisional processes: charge exchange, electronic excitations and electron emission. In particular, these studies show that the population of local target excitations surface excitons is the major contribution to the kinetic energy transfer (stopping power). Auger neutralization of Ne{sup +} and He{sup +} ions reveals the population of quasi-molecular excitons, an exciton bound on two holes. Referenced in the literature as trion. A direct energy balance determines the binding energy associated with these excited states of the surface. Besides these electronic energy loss processes, two nuclear energy loss mechanisms are characterized. These processes imply momentum transfer to individual target atoms during close binary collisions or, if the projectile is charged, to collective mode of optical phonons induced by the projectile coulomb field. The effect of the temperature on the scattering profile, the contribution of topological surface defects to the energy loss profile and to skipping motion on the surface are analyzed in view of classical trajectory simulations. (author)

  19. Investigations on the droplet distributions in the atomization of kerosene jets in supersonic crossflows

    Science.gov (United States)

    Wu, Liyin; Wang, Zhen-guo; Li, Qinglian; Zhang, Jiaqi

    2015-09-01

    Phase Doppler anemometry was applied to investigate the atomization processes of a kerosene jet injected into Ma = 1.86 crossflow. Physical behaviors, such as breakup and coalescence, are reproduced through the analysis of the spatial distribution of kerosene droplets' size. It is concluded that Sauter mean diameter distribution shape transforms into "I" type from "C" type as the atomization development. Simultaneously, the breakup of large droplets and the coalescence of small droplets can be observed throughout the whole atomization process.

  20. Trajectory-dependent energy loss for swift He atoms axially scattered off a silver surface

    Energy Technology Data Exchange (ETDEWEB)

    Ríos Rubiano, C.A. [Instituto de Astronomía y Física del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28, 1428 Buenos Aires (Argentina); Bocan, G.A. [Centro Atómico Bariloche, Comisión Nacional de Energía Ató mica, and Consejo Nacional de Investigaciones Científicas y Técnicas, S.C. de Bariloche, Río Negro (Argentina); Juaristi, J.I. [Departamento de Física de Materiales, Facultad de Químicas, UPV/EHU, 20018 San Sebastián (Spain); Donostia International Physics Center (DIPC) and Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), 20018 San Sebastián (Spain); Gravielle, M.S., E-mail: msilvia@iafe.uba.ar [Instituto de Astronomía y Física del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28, 1428 Buenos Aires (Argentina)

    2014-12-01

    Angle- and energy-loss-resolved distributions of helium atoms grazingly scattered from a Ag(110) surface along low indexed crystallographic directions are investigated considering impact energies in the few keV range. Final projectile distributions are evaluated within a semi-classical formalism that includes dissipative effects due to electron–hole excitations through a friction force. For mono-energetic beams impinging along the [11{sup ¯}0],[11{sup ¯}2] and [001] directions, the model predicts the presence of multiple peak structures in energy-loss spectra. Such structures provide detailed information about the trajectory-dependent energy loss. However, when the experimental dispersion of the incident beam is taken into account, these energy-loss peaks are completely washed out, giving rise to a smooth energy-loss distribution, in fairly good agreement with available experimental data.

  1. Charge transfer rates for xenon Rydberg atoms at metal and semiconductor surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dunning, F.B. [Department of Physics and Astronomy, Rice University, MS 61, 6100 Main Street, Houston, TX 77005-1892 (United States)]. E-mail: fbd@rice.edu; Wethekam, S. [Institut fuer Physik der Humboldt-Universitaet zu Berlin, Newtonstr. 15, D-12489 Berlin (Germany); Dunham, H.R. [Department of Physics and Astronomy, Rice University, MS 61, 6100 Main Street, Houston, TX 77005-1892 (United States); Lancaster, J.C. [Department of Physics and Astronomy, Rice University, MS 61, 6100 Main Street, Houston, TX 77005-1892 (United States)

    2007-05-15

    Recent progress in the study of charge exchange between xenon Rydberg atoms and surfaces is reviewed. Experiments using Au(1 1 1) surfaces show that under appropriate conditions each incident atom can be detected as an ion. The ionization dynamics, however, are strongly influenced by the perturbations in the energies and structure of the atomic states that occur as the ion collection field is applied and as the atom approaches the surface. These lead to avoided crossings between different atomic levels causing the atom to successively assume the character of a number of different states and lose much of its initial identity. The effects of this mixing are discussed. Efficient surface ionization is also observed at Si(1 0 0) surfaces although the ion signal is influenced by stray fields present at the surface.

  2. Surface recombination of oxygen atoms in O2 plasma at increased pressure: II. Vibrational temperature and surface production of ozone

    Science.gov (United States)

    Lopaev, D. V.; Malykhin, E. M.; Zyryanov, S. M.

    2011-01-01

    Ozone production in an oxygen glow discharge in a quartz tube was studied in the pressure range of 10-50 Torr. The O3 density distribution along the tube diameter was measured by UV absorption spectroscopy, and ozone vibrational temperature TV was found comparing the calculated ab initio absorption spectra with the experimental ones. It has been shown that the O3 production mainly occurs on a tube surface whereas ozone is lost in the tube centre where in contrast the electron and oxygen atom densities are maximal. Two models were used to analyse the obtained results. The first one is a kinetic 1D model for the processes occurring near the tube walls with the participation of the main particles: O(3P), O2, O2(1Δg) and O3 molecules in different vibrational states. The agreement of O3 and O(3P) density profiles and TV calculated in the model with observed ones was reached by varying the single model parameter—ozone production probability (\\gamma_{O_{3}}) on the quartz tube surface on the assumption that O3 production occurs mainly in the surface recombination of physisorbed O(3P) and O2. The phenomenological model of the surface processes with the participation of oxygen atoms and molecules including singlet oxygen molecules was also considered to analyse \\gamma_{O_{3}} data obtained in the kinetic model. A good agreement between the experimental data and the data of both models—the kinetic 1D model and the phenomenological surface model—was obtained in the full range of the studied conditions that allowed consideration of the ozone surface production mechanism in more detail. The important role of singlet oxygen in ozone surface production was shown. The O3 surface production rate directly depends on the density of physisorbed oxygen atoms and molecules and can be high with increasing pressure and energy inputted into plasma while simultaneously keeping the surface temperature low enough. Using the special discharge cell design, such an approach opens up the

  3. Surface recombination of oxygen atoms in O2 plasma at increased pressure: II. Vibrational temperature and surface production of ozone

    International Nuclear Information System (INIS)

    Lopaev, D V; Malykhin, E M; Zyryanov, S M

    2011-01-01

    Ozone production in an oxygen glow discharge in a quartz tube was studied in the pressure range of 10-50 Torr. The O 3 density distribution along the tube diameter was measured by UV absorption spectroscopy, and ozone vibrational temperature T V was found comparing the calculated ab initio absorption spectra with the experimental ones. It has been shown that the O 3 production mainly occurs on a tube surface whereas ozone is lost in the tube centre where in contrast the electron and oxygen atom densities are maximal. Two models were used to analyse the obtained results. The first one is a kinetic 1D model for the processes occurring near the tube walls with the participation of the main particles: O( 3 P), O 2 , O 2 ( 1 Δ g ) and O 3 molecules in different vibrational states. The agreement of O 3 and O( 3 P) density profiles and T V calculated in the model with observed ones was reached by varying the single model parameter-ozone production probability (γ O 3 ) on the quartz tube surface on the assumption that O 3 production occurs mainly in the surface recombination of physisorbed O( 3 P) and O 2 . The phenomenological model of the surface processes with the participation of oxygen atoms and molecules including singlet oxygen molecules was also considered to analyse γ O 3 data obtained in the kinetic model. A good agreement between the experimental data and the data of both models-the kinetic 1D model and the phenomenological surface model-was obtained in the full range of the studied conditions that allowed consideration of the ozone surface production mechanism in more detail. The important role of singlet oxygen in ozone surface production was shown. The O 3 surface production rate directly depends on the density of physisorbed oxygen atoms and molecules and can be high with increasing pressure and energy inputted into plasma while simultaneously keeping the surface temperature low enough. Using the special discharge cell design, such an approach opens up

  4. He atom-surface scattering: Surface dynamics of insulators, overlayers and crystal growth

    International Nuclear Information System (INIS)

    Safron, S.A.; Skofronick, J.G.

    1994-01-01

    This progress report describes work carried out in the study of surface structure and dynamics of ionic insulators, the microscopic interactions controlling epitaxial growth and the formation of overlayers, and energy exchange in multiphonon surface scattering. The approach used is to employ high resolution helium atom scattering to study the geometry and structural features of the surfaces. Experiments have been carried out on the surface dynamics of RbCl and preliminary studies done on CoO and NiO. Epitaxial growth and overlayer dynamics experiments on the systems NaCl/NaCl(001), KBr/NaCl(001), NaCl/KBr(001) and KBr/RbCl(001) have been performed. They have collaborated with two theoretical groups to explore models of overlayer dynamics with which to compare and to interpret their experimental results. They have carried out extensive experiments on the multiphonon scattering of helium atoms from NaCl and, particularly, LiF. Work has begun on self-assembling organic films on gold and silver surfaces (alkyl thiols/Au(111) and Ag(111))

  5. He-atom surface scattering apparatus for studies of crystalline surface dynamics. Progress report, May 1, 1985-April 30, 1986

    International Nuclear Information System (INIS)

    1986-01-01

    The primary goal of this grant is the construction of a state-of-the-art He atom-crystal surface scattering apparatus which will be capable of measuring both elastic and inelastic scattering of He atoms from crystal surfaces of metals, semiconductors and insulators. First, the apparatus will be constructed and characterized, after which a program of studies on the surface dynamics of a variety of crystal surfaces will be started. 6 refs., 2 figs

  6. Hyperthermal (10-500 eV) collisions of noble gases with Ni(100) surface. Comparison between light and heavy atom collisions

    International Nuclear Information System (INIS)

    Kim, C.

    1995-01-01

    Collisional events between 10-500 eV atomic beams (He, Ne, Ar, Kr, and Xe) and a Ni(100) surface are investigated by the classical trajectory method. The calculation employs a molecular dynamics approach combined with a Langevin method for treating energy dissipation to infinite solid. We find that low energy collisions of heavy atoms (Xe and Kr) are characterized by extensive many-body interactions with top layer surface atoms. On the other hand, light atom (Ne and He) collisions can be approximated as a sequence of binary collisions even at these energies. Such a difference in the collisional nature gives rise to the following consequences. Low energy heavy atoms transfer energy mostly to the surface atoms during 45 angle collision. They scatter from the surface with a narrow angular distribution centered in a supraspecular direction. The ratio of the scattered to incident particle energy rapidly decreases with increasing beam energy of heavy atoms. The sputtering yield for Ni atoms by heavy atom bombardment increases quite linearly with beam energy, which is attributed to a linear proportionality between the beam energy and the energy transfered to a surface. Near the threshold energy sputtering can occur more efficiently by light atom bombardment. The energy transfer ratio to solid continuously increases with beam energy for light atoms. For heavy projectiles, on the other hand, this ratio reaches a maximum at the energy of ca, 100 eV, above which it stays nearly constant but slightly decreases. ((orig.))

  7. SURFACE SITES AND MOBILITIES OF IN ATOMS ON A STEPPED CU(100) SURFACE STUDIED AT LOW COVERAGE

    NARCIS (Netherlands)

    BREEMAN, M; DORENBOS, G; BOERMA, DO

    The various surface sites of In atoms deposited to a coverage of 0.013 monolayer (ML) onto a stepped Cu(100) surface were determined with low-energy ion scattering (LEIS) as a function of deposition temperature. From the fractions of In atoms occupying different sites, observed in the temperature

  8. Incorporating Skew into RMS Surface Roughness Probability Distribution

    Science.gov (United States)

    Stahl, Mark T.; Stahl, H. Philip.

    2013-01-01

    The standard treatment of RMS surface roughness data is the application of a Gaussian probability distribution. This handling of surface roughness ignores the skew present in the surface and overestimates the most probable RMS of the surface, the mode. Using experimental data we confirm the Gaussian distribution overestimates the mode and application of an asymmetric distribution provides a better fit. Implementing the proposed asymmetric distribution into the optical manufacturing process would reduce the polishing time required to meet surface roughness specifications.

  9. A new method for mapping the three-dimensional atomic distribution within nanoparticles by atom probe tomography (APT).

    Science.gov (United States)

    Kim, Se-Ho; Kang, Phil Woong; Park, O Ok; Seol, Jae-Bok; Ahn, Jae-Pyoung; Lee, Ji Yeong; Choi, Pyuck-Pa

    2018-07-01

    We present a new method of preparing needle-shaped specimens for atom probe tomography from freestanding Pd and C-supported Pt nanoparticles. The method consists of two steps, namely electrophoresis of nanoparticles on a flat Cu substrate followed by electrodeposition of a Ni film acting as an embedding matrix for the nanoparticles. Atom probe specimen preparation can be subsequently carried out by means of focused-ion-beam milling. Using this approach, we have been able to perform correlative atom probe tomography and transmission electron microscopy analyses on both nanoparticle systems. Reliable mass spectra and three-dimensional atom maps could be obtained for Pd nanoparticle specimens. In contrast, atom probe samples prepared from C-supported Pt nanoparticles showed uneven field evaporation and hence artifacts in the reconstructed atom maps. Our developed method is a viable means of mapping the three-dimensional atomic distribution within nanoparticles and is expected to contribute to an improved understanding of the structure-composition-property relationships of various nanoparticle systems. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Adsorption of SO{sub 2} on Li atoms deposited on MgO (1 0 0) surface: DFT calculations

    Energy Technology Data Exchange (ETDEWEB)

    Eid, Kh.M., E-mail: Kheid98@hotmail.com [Physics Department, Faculty of Education, Ain Shams University, Cairo 11757 (Egypt); Ammar, H.Y. [Department of Physics, Faculty of Science, Najran University, Najran 1988 (Saudi Arabia)

    2011-05-01

    The adsorption of sulfur dioxide molecule (SO{sub 2}) on Li atom deposited on the surfaces of metal oxide MgO (1 0 0) on both anionic and defect (F{sub s}-center) sites located on various geometrical defects (terrace, edge and corner) has been studied using density functional theory (DFT) in combination with embedded cluster model. The adsorption energy (E{sub ads}) of SO{sub 2} molecule (S-atom down as well as O-atom down) in different positions on both of O{sup -2} and F{sub s} sites is considered. The spin density (SD) distribution due to the presence of Li atom is discussed. The geometrical optimizations have been done for the additive materials and MgO substrate surfaces (terrace, edge and corner). The oxygen vacancy formation energies have been evaluated for MgO substrate surfaces. The ionization potential (IP) for defect free and defect containing of the MgO surfaces has been calculated. The adsorption properties of SO{sub 2} are analyzed in terms of the E{sub ads}, the electron donation (basicity), the elongation of S-O bond length and the atomic charges on adsorbed materials. The presence of the Li atom increases the catalytic effect of the anionic O{sup -2} site of MgO substrate surfaces (converted from physisorption to chemisorption). On the other hand, the presence of the Li atom decreases the catalytic effect of the F{sub s}-site of MgO substrate surfaces. Generally, the SO{sub 2} molecule is strongly adsorbed (chemisorption) on the MgO substrate surfaces containing F{sub s}-center.

  11. The hydrogen atom-deuterium molecule reaction: Experimental determination of product quantum state distributions

    International Nuclear Information System (INIS)

    Rinnen, K.

    1989-01-01

    The H + H 2 atom exchange reaction (and its isotopic analogs) is the simplest neutral bimolecular chemical reaction because of the small number of electrons in the system and the lightness of the nuclei. The H 3 potential energy surface (PES) is the most accurately known reactive surface (LSTH surface); there have been both quasiclassical trajectory (QCT) and quantal calculations performed on it. This is one of the few systems for which theory is ahead of experiment, and many theoretical predictions await experimental comparison. The H + D 2 → HD + D reaction is studied using thermal D 2 (∼298 K) and translationally hot hydrogen atoms. Photolysis of HI at 266 nm generates H atoms with center-of-mass collision energies of 1.3 and 0.55 eV, both of which are above the classical reaction barrier of 0.42 eV. The rovibrational population distribution of the molecular product is measured by (2+1) resonance-enhanced multiphoton ionization (REMPI). A major effort has been directed toward calibrating the (2+1) REMPI detection procedure, to determine quantitatively the relationship between ion signals and relative quantum state populations for HD. An effusive, high-temperature nozzle has been constructed to populate thermally the high rovibrational levels observed in the reaction. The results are compared to theoretical calculations of the E,F 1 Σ g + - X 1 Σ g + two-photon transition moments. For the H + D 2 reaction, the populations of all energetically accessible HD product levels are measured. Specifically, the following levels are observed: HD(v = 0, J = 0-15), HD(v = 1, J = 0-12), and HD(v = 2, J = 0-8). Of the available energy, 73% is partitioned into product translation, 18% into HD rotation, and 9% into HD vibration

  12. Mechanisms for the reflection of light atoms from crystal surfaces at kilovolt energies

    International Nuclear Information System (INIS)

    Hou, M.; Robinson, M.T.

    1978-01-01

    The computer program MARLOWE was used to investigate the backscattering of protons from the (110) surface of a nickel crystal. Grazing incidence was considered so that anisotropic effects originated mainly from the surface region. The contribution of aligned scattering was studied by comparing the results with similar calculations for an amorphous target. Energy distributions of backscattered particles were investigated for incident energies ranging from 0.1 to 5 keV. The structure of these distributions was explained by making calculations for several target thickness. Specular reflection was found to depend on the structure of the first few atomic planes only. The (110) rows in the surface plane were responsible for focusing into surface semichannels. Focusing in these semichannels was found to be the strongest under total reflection conditions (below about 1.3 keV) while the scattering intensity from surface rows increased with increasing incident energy. The orientation of the plane of incidence was found to have large influence on the relative contributions of the reflection mechanisms involved. (orig.) [de

  13. Cold atoms near surfaces: designing potentials by sculpturing wires

    International Nuclear Information System (INIS)

    Della Pietra, Leonardo; Aigner, Simon; Hagen, Christoph vom; Lezec, Henri J; Schmiedmayer, Joerg

    2005-01-01

    The magnetic trapping potentials for atoms on atom chips are determined by the current flow pattern in the chip wires. By modifying the wire shape using focused ion beam nano-machining we can design specialized current flow patterns and therefore micro-design the magnetic trapping potentials. We give designs for a barrier, a quantum dot, and a double well or double barrier and show preliminary experiments with ultra cold atoms in these designed potentials

  14. Distribution of technetium-99 in surface soils

    International Nuclear Information System (INIS)

    Tagami, Keiko; Uchida, Shigeo

    2000-01-01

    Technetium-99 ( 99 Tc) is an important fission product which has been widely distributed in the environment as a result of fallout from nuclear weapons testing. In order to improve our understanding of the behavior of 99 Tc in the environment, it is essential that we obtain more reliable information on the levels, distribution and fate of 99 Tc in the environment. In this study, the concentration of global fallout 99 Tc, in several surface soil samples (0 - 20 cm) collected in Japan, were determined by ICP-MS (inductively coupled plasma mass spectroscopy). The range of 99 Tc in rice paddy field, upland field and other soils determined in this study were 0.006 - 0.11, 0.004 - 0.008 and 0.007 - 0.02 Bq kg -1 dry, respectively. 137 Cs was used as a comparative indicator for the source of 99 Tc, because the fission yields from 235 U and 239 Pu were about the same (ca. 6%) for the two isotopes, and the behavior and distribution of 137 Cs in the environment is reasonably well understood. The 137 Cs contents in rice paddy field, upland field and other soils range between 1.7 - 28, 1.4 - 9.2 and -1 dry, respectively. The activity ratios of 99 Tc/ 137 Cs in all soil samples were (0.6 - 5.9) x 10 -3 . Most of the measured ratios were one order of magnitude higher than the theoretical one obtained from fission. However, this ratio in soil, presumably depends on not only both the characteristic of radionuclides and the soil, but also on their contents after deposition to the earth's surface. (author)

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

    DEFF Research Database (Denmark)

    Dahl, Jens Peder; Springborg, Michael

    1999-01-01

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

  16. Surface diffusion of carbon atom and carbon dimer on Si(0 0 1) surface

    International Nuclear Information System (INIS)

    Zhu, J.; Pan, Z.Y.; Wang, Y.X.; Wei, Q.; Zang, L.K.; Zhou, L.; Liu, T.J.; Jiang, X.M.

    2007-01-01

    Carbon (C) atom and carbon dimer (C2) are known to be the main projectiles in the deposition of diamond-like carbon (DLC) films. The adsorption and diffusion of the C adatom and addimer (C2) on the fully relaxed Si(0 0 1)-(2 x 1) surface was studied by a combination of the molecular dynamics (MD) and Monte Carlo (MC) simulation. The adsorption sites of the C and C2 on the surface and the potential barriers between these sites were first determined using the semi-empirical many-body Brenner and Tersoff potential. We then estimated their hopping rates and traced their pathways. It is found that the diffusion of both C and C2 is strongly anisotropic in nature. In addition, the C adatom can diffuse a long distance on the surface while the adsorbed C2 is more likely to be confined in a local region. Thus we can expect that smoother films will be formed on the Si(0 0 1) surface with single C atoms as projectile at moderate temperature, while with C2 the films will grow in two-dimensional islands. In addition, relatively higher kinetic energy of the projectile, say, a few tens of eV, is needed to grow DLC films of higher quality. This is consistent with experimental findings

  17. HBr Formation from the Reaction between Gas-phase Bromine Atom and Vibrationally Excited Chemisorbed Hydrogen Atoms on a Si(001)-(2 x 1) Surface

    International Nuclear Information System (INIS)

    Ree, J.; Yoon, S. H.; Park, K. G.; Kim, Y. H.

    2004-01-01

    We have calculated the probability of HBr formation and energy disposal of the reaction exothermicity in HBr produced from the reaction of gas-phase bromine with highly covered chemisorbed hydrogen atoms on a Si (001)-(2 x 1) surface. The reaction probability is about 0.20 at gas temperature 1500 K and surface temperature 300 K. Raising the initial vibrational state of the adsorbate(H)-surface(Si) bond from the ground to v = 1, 2 and 3 states causes the vibrational, translational and rotational energies of the product HBr to increase equally. However, the vibrational and translational motions of product HBr share most of the reaction energy. Vibrational population of the HBr molecules produced from the ground state adsorbate-surface bond (vHSi = 0) follows the Boltzmann distribution, but it deviates seriously from the Boltzmann distribution when the initial vibrational energy of the adsorbate-surface bond increases. When the vibration of the adsorbate-surface bond is in the ground state, the amount of energy dissipated into the surface is negative, while it becomes positive as vHSi increases. The energy distributions among the various modes weakly depends on surface temperature in the range of 0-600 K, regardless of the initial vibrational state of H(ad)-Si(s) bond

  18. Angular Distributions of Sputtered Atoms from Semiconductor Targets at Grazing Ion Beam Incidence Angles

    International Nuclear Information System (INIS)

    Sekowski, M.; Burenkov, A.; Martinez-Limia, A.; Hernandez-Mangas, J.; Ryssel, H.

    2008-01-01

    Angular distributions of ion sputtered germanium and silicon atoms are investigated within this work. Experiments are performed for the case of grazing ion incidence angles, where the resulting angular distributions are asymmetrical with respect to the polar angle of the sputtered atoms. The performed experiments are compared to Monte-Carlo simulations from different programs. We show here an improved model for the angular distribution, which has an additional dependence of the ion incidence angle.

  19. Influence of the Localization of Ge Atoms within the Si(001(4 × 2 Surface Layer on Semicore One-Electron States

    Directory of Open Access Journals (Sweden)

    Olha I. Tkachuk

    2016-03-01

    Full Text Available Adsorption complexes of germanium on the reconstructed Si(001(4 × 2 surface have been simulated by the Si96Ge2Н84 cluster. For Ge atoms located on the surface layer, DFT calculations (B3LYP/6-31G** of their 3d semicore-level energies have shown a clear-cut correlation between the 3d5/2 chemical shifts and mutual arrangement of Ge atoms. Such a shift is positive when only one Ge atom penetrates into the crystalline substrate, while being negative for both penetrating Ge atoms. We interpret these results in terms of the charge distribution in clusters under consideration.

  20. Evolution of the Contact Area with Normal Load for Rough Surfaces: from Atomic to Macroscopic Scales.

    Science.gov (United States)

    Huang, Shiping

    2017-11-13

    The evolution of the contact area with normal load for rough surfaces has great fundamental and practical importance, ranging from earthquake dynamics to machine wear. This work bridges the gap between the atomic scale and the macroscopic scale for normal contact behavior. The real contact area, which is formed by a large ensemble of discrete contacts (clusters), is proven to be much smaller than the apparent surface area. The distribution of the discrete contact clusters and the interaction between them are key to revealing the mechanism of the contacting solids. To this end, Green's function molecular dynamics (GFMD) is used to study both how the contact cluster evolves from the atomic scale to the macroscopic scale and the interaction between clusters. It is found that the interaction between clusters has a strong effect on their formation. The formation and distribution of the contact clusters is far more complicated than that predicted by the asperity model. Ignorance of the interaction between them leads to overestimating the contacting force. In real contact, contacting clusters are smaller and more discrete due to the interaction between the asperities. Understanding the exact nature of the contact area with the normal load is essential to the following research on friction.

  1. Synthesis of ZnS nanoparticles on a solid surface: Atomic force microscopy study

    International Nuclear Information System (INIS)

    Yuan Huizhen; Lian Wenping; Song Yonghai; Chen Shouhui; Chen Lili; Wang Li

    2010-01-01

    In this work, zinc sulfide (ZnS) nanoparticles had been synthesized on DNA network/mica and mica surface, respectively. The synthesis was carried out by first dropping a mixture of zinc acetate and DNA on a mica surface for the formation of the DNA networks or zinc acetate solution on a mica surface, and subsequently transferring the sample into a heated thiourea solution. The Zn 2+ adsorbed on DNA network/mica or mica surface would react with S 2- produced from thiourea and form ZnS nanoparticles on these surfaces. X-ray diffraction and atomic force microscopy (AFM) were used to characterize the ZnS nanoparticles in detail. AFM results showed that ZnS nanoparticles distributed uniformly on the mica surface and deposited preferentially on DNA networks. It was also found that the size and density of ZnS nanoparticles could be effectively controlled by adjusting reaction temperature and the concentration of Zn 2+ or DNA. The possible growth mechanisms have been discussed in detail.

  2. Influence of operating conditions and atomizer design on circumferential liquid distribution from small pressure-swirl atomizer

    Directory of Open Access Journals (Sweden)

    Malý Milan

    2017-01-01

    Full Text Available The spray symmetry is an important aspect in most practical applications. However, it is often an overlooked parameter. A measurement of circumferential distribution was carried out by a circular-sectored vessel on several pressure-swirl atomizers with spill-line over a wide range of injection pressure. The obtained results show that the spray uniformity improves markedly with the injection pressure. The increase in a number of tangential entry ports has only a minor effect on the spray uniformity. Even a small mechanical corruption of the atomizer internal parts negatively affects the spray patternation.

  3. Influence of operating conditions and atomizer design on circumferential liquid distribution from small pressure-swirl atomizer

    Science.gov (United States)

    Malý, Milan; Janáčková, Lada; Jedelský, Jan; Jícha, Miroslav

    The spray symmetry is an important aspect in most practical applications. However, it is often an overlooked parameter. A measurement of circumferential distribution was carried out by a circular-sectored vessel on several pressure-swirl atomizers with spill-line over a wide range of injection pressure. The obtained results show that the spray uniformity improves markedly with the injection pressure. The increase in a number of tangential entry ports has only a minor effect on the spray uniformity. Even a small mechanical corruption of the atomizer internal parts negatively affects the spray patternation.

  4. A method for ion distribution function evaluation using escaping neutral atom kinetic energy samples

    International Nuclear Information System (INIS)

    Goncharov, P.R.; Ozaki, T.; Veshchev, E.A.; Sudo, S.

    2008-01-01

    A reliable method to evaluate the probability density function for escaping atom kinetic energies is required for the analysis of neutral particle diagnostic data used to study the fast ion distribution function in fusion plasmas. Digital processing of solid state detector signals is proposed in this paper as an improvement of the simple histogram approach. Probability density function for kinetic energies of neutral particles escaping from the plasma has been derived in a general form taking into account the plasma ion energy distribution, electron capture and loss rates, superposition along the diagnostic sight line and the magnetic surface geometry. A pseudorandom number generator has been realized that enables a sample of escaping neutral particle energies to be simulated for given plasma parameters and experimental conditions. Empirical probability density estimation code has been developed and tested to reconstruct the probability density function from simulated samples assuming. Maxwellian and classical slowing down plasma ion energy distribution shapes for different temperatures and different slowing down times. The application of the developed probability density estimation code to the analysis of experimental data obtained by the novel Angular-Resolved Multi-Sightline Neutral Particle Analyzer has been studied to obtain the suprathermal particle distributions. The optimum bandwidth parameter selection algorithm has also been realized. (author)

  5. Analysis of atomic force microscopy data for surface characterization using fuzzy logic

    International Nuclear Information System (INIS)

    Al-Mousa, Amjed; Niemann, Darrell L.; Niemann, Devin J.; Gunther, Norman G.; Rahman, Mahmud

    2011-01-01

    In this paper we present a methodology to characterize surface nanostructures of thin films. The methodology identifies and isolates nanostructures using Atomic Force Microscopy (AFM) data and extracts quantitative information, such as their size and shape. The fuzzy logic based methodology relies on a Fuzzy Inference Engine (FIE) to classify the data points as being top, bottom, uphill, or downhill. The resulting data sets are then further processed to extract quantitative information about the nanostructures. In the present work we introduce a mechanism which can consistently distinguish crowded surfaces from those with sparsely distributed structures and present an omni-directional search technique to improve the structural recognition accuracy. In order to demonstrate the effectiveness of our approach we present a case study which uses our approach to quantitatively identify particle sizes of two specimens each with a unique gold nanoparticle size distribution. - Research Highlights: → A Fuzzy logic analysis technique capable of characterizing AFM images of thin films. → The technique is applicable to different surfaces regardless of their densities. → Fuzzy logic technique does not require manual adjustment of the algorithm parameters. → The technique can quantitatively capture differences between surfaces. → This technique yields more realistic structure boundaries compared to other methods.

  6. Quasiclassical Studies of Eley-Rideal and Hot Atom Reactions on Surface: H(D)→D(H)+Cu(111)

    International Nuclear Information System (INIS)

    Vurdu, C.D.

    2004-01-01

    Randomly distributed hydrogen adsorbates on the surface of Cu(1 1 1) are used to form 0.50, 0.25 and 0.15 monolayers of coverages to simulate D(H)→H(D) + Cu(111) system at 30 K and 94 K surface temperatures. The interaction of this system is mimicked by a LEPS function which is parameterized by using the energy points which were calculated by a density-functional theory method and the generalized gradient approximation for the exchange-correlation energy for various configurations of one a,nd two hydrogen atoms on the Cu(111) surface. Our results on H 2 , D 2 , and HD formations via Eley-Redial and hot-atom mechanisms will be presented at these temperatures. Probabilities for the rotational, vibrational, total and translational energy distributions of the products are calculated. In addition traping onto the surface, inelastic reflection of the incident projectile and penetration of the adsorbate or projectile atom into the slab is analyzed. Hot-atom pathways for product formations are shown to make significant contributions

  7. The trapping of potassium atoms by a polycrystalline tungsten surface as a function of energy and angle of incidence. ch. 1

    International Nuclear Information System (INIS)

    Hurkmans, A.; Overbosch, E.G.; Olander, D.R.; Los, J.

    1976-01-01

    The trapping probability of potassium atoms on a polycrystalline tungsten surface has been measured as a function of the angle of incidence and as a function of the energy of the incoming atoms. Below an energy of 1 eV the trapping was complete; above 20 eV only reflection occurred. The trapping probability increased with increasing angle of incidence. The measurements are compared with a simple model of the fraction of atoms initially trapped. The model, a one-dimensional cube model including a Boltzmann distribution of the velocities of oscillating surface atoms, partially explains the data. The trapping probability as a function of incoming energy is well described for normal incidence, justifying the inclusion of thermal motion of the surface atoms in the model. The angular dependence can be explained in a qualitative way, although there is a substantial discrepancy for large angles of incidence, showing the presence of surface structure. (Auth.)

  8. Behavior of Rydberg atoms at surfaces: energy level shifts and ionization

    Energy Technology Data Exchange (ETDEWEB)

    Dunning, F.B. E-mail: fbd@rice.edu; Dunham, H.R.; Oubre, C.; Nordlander, P

    2003-04-01

    The ionization of xenon atoms excited to the extreme red and blue states in high-lying Xe(n) Stark manifolds at a metal surface is investigated. The data show that, despite their very different initial spatial characteristics, the extreme members of a given Stark manifold ionize at similar atom/surface separations. This is explained, with the aid of complex scaling calculations, in terms of the strong perturbations in the energies and structure of the atomic states induced by the presence of the surface which lead to avoided crossings between neighboring levels as the surface is approached.

  9. Behavior of Rydberg atoms at surfaces: energy level shifts and ionization

    CERN Document Server

    Dunning, F B; Oubre, C D; Nordlander, P

    2003-01-01

    The ionization of xenon atoms excited to the extreme red and blue states in high-lying Xe(n) Stark manifolds at a metal surface is investigated. The data show that, despite their very different initial spatial characteristics, the extreme members of a given Stark manifold ionize at similar atom/surface separations. This is explained, with the aid of complex scaling calculations, in terms of the strong perturbations in the energies and structure of the atomic states induced by the presence of the surface which lead to avoided crossings between neighboring levels as the surface is approached.

  10. Atoms

    International Nuclear Information System (INIS)

    Fuchs, Alain; Villani, Cedric; Guthleben, Denis; Leduc, Michele; Brenner, Anastasios; Pouthas, Joel; Perrin, Jean

    2014-01-01

    Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)

  11. Trapping and stabilization of hydrogen atoms in intracrystalline voids. Defected calcium fluorides and Y zeolite surfaces

    International Nuclear Information System (INIS)

    Iton, L.E.; Turkevich, J.

    1978-01-01

    Using EPR spectroscopy, it has been established that H. atoms are absorbed from the gas phase when CaF 2 powder is exposed to H 2 gas in which a microwave discharge is sustained, being trapped in sites that provide unusual thermal stability. The disposition of the trapped atoms is determined by the occluded water content of the CaF 2 . For ultrapure CaF 2 , atoms are trapped in interstitial sites having A 0 = 1463 MHz; for increasing water content, two types of trapped H. atoms are discriminated, with preferential trapping in void sites (external to the regular fluorite lattice) that are associated with the H 2 O impurity. Characterization of these ''extra-lattice'' H. (and D.) atoms is presented, and their EPR parameters and behavior are discussed in detail. Failure to effect H.-D. atom exchange with D 2 gas suggests that atoms are not stabilized on the CaF 2 surface. H. atoms are trapped exclusively in ''extra-lattice'' sites when the water-containing CaF 2 is γ irradiated at 77 or 298 K indicating that the scission product atoms do not escape from the precursor void region into the regular lattice. It is concluded that the thermal stability of the ''extra-lattice'' atoms, like that of the interstitial atoms, is determined ultimately by the high activation energy for diffusion of the H. atom through the CaF 2 lattice. For comparison, results obtained from H. atoms trapped in γ-irradiated rare earth ion-exchanged Y zeolites are presented and discussed also; these ''surface'' trapped atoms do not exhibit great thermalstability. Distinctions in the H. atom formation mechanisms between the fluorides and the zeolites were deduced from the accompanying paramagnetic species formed. The intracavity electric fields in the Y zeolites have been estimated from the H. atoms hfsc contractions, and are found to be very high, about 1 V/A

  12. Van der Waals enhancement of optical atom potentials via resonant coupling to surface polaritons.

    Science.gov (United States)

    Kerckhoff, Joseph; Mabuchi, Hideo

    2009-08-17

    Contemporary experiments in cavity quantum electrodynamics (cavity QED) with gas-phase neutral atoms rely increasingly on laser cooling and optical, magneto-optical or magnetostatic trapping methods to provide atomic localization with sub-micron uncertainty. Difficult to achieve in free space, this goal is further frustrated by atom-surface interactions if the desired atomic placement approaches within several hundred nanometers of a solid surface, as can be the case in setups incorporating monolithic dielectric optical resonators such as microspheres, microtoroids, microdisks or photonic crystal defect cavities. Typically in such scenarios, the smallest atom-surface separation at which the van der Waals interaction can be neglected is taken to be the optimal localization point for associated trapping schemes, but this sort of conservative strategy generally compromises the achievable cavity QED coupling strength. Here we suggest a new approach to the design of optical dipole traps for atom confinement near surfaces that exploits strong surface interactions, rather than avoiding them, and present the results of a numerical study based on (39)K atoms and indium tin oxide (ITO). Our theoretical framework points to the possibility of utilizing nanopatterning methods to engineer novel modifications of atom-surface interactions. (c) 2009 Optical Society of America

  13. Atom-resolved surface chemistry using scanning tunneling microscopy (STM) and spectroscopy (STS)

    International Nuclear Information System (INIS)

    Avouris, P.

    1989-01-01

    The author shows that by using STM and STS one can study chemistry with atomic resolution. The author uses two examples: the reaction of Si(111)-(7x7) with (a) NH 3 and (b) decaborane (DB). In case (a) the authors can directly observe the spatial distribution of the reaction. He determined which surface atoms have reacted and how the products of the reaction are distributed. He found that the different dangling-bond sites have significantly different reactivities and explain these differences in terms of the local electronic structure. In case (b) the 7x7 reconstruction is eliminated and at high temperatures, (√3 x √3) R30 degree reconstructions are observed. Depending on the amount of DB and the annealing temperature the √3 structures contain variable numbers of B and Si adatoms on T 4 -sites. Calculations show that the structure involving B adatoms, although kinetically favored, is not the lowest energy configuration. The lowest energy state involves B in a substitutional site under a Si adatom

  14. Ionization of xenon Rydberg atoms at Si(1 0 0) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dunham, H.R. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States); Wethekam, S. [Institut fuer Physik der Humboldt-Universitaet zu Berlin, Newtonstra. 15, D-12489, Berlin (Germany); Lancaster, J.C. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States); Dunning, F.B. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States)]. E-mail: fbd@rice.edu

    2007-03-15

    The ionization of xenon Rydberg atoms excited to the lowest states in the n = 17 and n = 20 Stark manifolds at Si(1 0 0) surfaces is investigated. It is shown that, under appropriate conditions, a sizable fraction of the incident atoms can be detected as ions. Although the onset in the ion signal is perturbed by stray fields present at the surface, the data are consistent with ionization rates similar to those measured earlier at metal surfaces.

  15. To the calculation technique and interpretation of atom radial distribution curves in ternary alloy systems

    International Nuclear Information System (INIS)

    Dutchak, Ya.I.; Frenchko, V.S.; Voznyak, O.M.

    1975-01-01

    Certain models of the structure of three-component melts are considered: the ''quasi-eutectic'' one, the model of statistical distribution of atoms and the ''polystructural'' model. The analytical expressions are given for the area under the first maximum of the curve describing the radial distribution of atoms for certain versions of the ''polystructural'' model. On the example of In-Ga-Ga and Bi-Cd-Sn eutectic melts the possibility of estimating the nature of atomic ordering in three-component melts through checking the models under consideration has been demonstrated

  16. Investigations on the droplet distributions in the atomization of kerosene jets in supersonic crossflows

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Liyin; Wang, Zhen-guo, E-mail: wangzhenguo-wzg@163.com; Li, Qinglian; Zhang, Jiaqi [Science and Technology on Scramjet Laboratory, National University of Defense Technology, Changsha 410073 (China); College of Aerospace and Engineering, National University of Defense Technology, Changsha 410073 (China)

    2015-09-07

    Phase Doppler anemometry was applied to investigate the atomization processes of a kerosene jet injected into Ma = 1.86 crossflow. Physical behaviors, such as breakup and coalescence, are reproduced through the analysis of the spatial distribution of kerosene droplets' size. It is concluded that Sauter mean diameter distribution shape transforms into “I” type from “C” type as the atomization development. Simultaneously, the breakup of large droplets and the coalescence of small droplets can be observed throughout the whole atomization process.

  17. Investigations on the droplet distributions in the atomization of kerosene jets in supersonic crossflows

    International Nuclear Information System (INIS)

    Wu, Liyin; Wang, Zhen-guo; Li, Qinglian; Zhang, Jiaqi

    2015-01-01

    Phase Doppler anemometry was applied to investigate the atomization processes of a kerosene jet injected into Ma = 1.86 crossflow. Physical behaviors, such as breakup and coalescence, are reproduced through the analysis of the spatial distribution of kerosene droplets' size. It is concluded that Sauter mean diameter distribution shape transforms into “I” type from “C” type as the atomization development. Simultaneously, the breakup of large droplets and the coalescence of small droplets can be observed throughout the whole atomization process

  18. Energy distributions of atoms sputtered from alkali halides by 540 eV electrons, Ch.1

    International Nuclear Information System (INIS)

    Overeijnder, H.; Szymonski, M.; Haring, A.; Vries, A.E. de

    1978-01-01

    The emission of halogen and alkali atoms, occurring under bombardment of alkali halides with electrons has been investigated. The electron energy was 540 eV and the temperature of the target was varied between room temperature and 400 0 C. The energy distribution of the emitted neutral particles was measured with a time of flight method. It was found that either diffusing interstitial halogen atoms or moving holes dominate the sputtering process above 200 0 C. Below 150 0 C alkali halides with lattice parameters s/d >= 0.33 show emission of non-thermal halogen atoms. s is the interionic space between two halogen ions in a direction and d is the diameter of a halogen atom. In general the energy distribution of the alkali and halogen atoms is thermal above 200 0 C, but not Maxwellian. (Auth.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-04-30

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

  20. Surface atomic relaxation and magnetism on hydrogen-adsorbed Fe(110) surfaces from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Chohan, Urslaan K.; Jimenez-Melero, Enrique [School of Materials, The University of Manchester, Manchester M13 9PL (United Kingdom); Dalton Cumbrian Facility, The University of Manchester, Moor Row CA24 3HA (United Kingdom); Koehler, Sven P.K., E-mail: sven.koehler@manchester.ac.uk [Dalton Cumbrian Facility, The University of Manchester, Moor Row CA24 3HA (United Kingdom); School of Chemistry, The University of Manchester, Manchester M13 9PL (United Kingdom); Photon Science Institute, The University of Manchester, Manchester M13 9PL (United Kingdom)

    2016-11-30

    Highlights: • Potential energy surfaces for H diffusion on Fe(110) calculated. • Full vibrational analysis of surface modes performed. • Vibrational analysis establishes lb site as a transition state to the 3f site. • Pronounced buckling observed in the Fe surface layer. - Abstract: We have computed adsorption energies, vibrational frequencies, surface relaxation and buckling for hydrogen adsorbed on a body-centred-cubic Fe(110) surface as a function of the degree of H coverage. This adsorption system is important in a variety of technological processes such as the hydrogen embrittlement in ferritic steels, which motivated this work, and the Haber–Bosch process. We employed spin-polarised density functional theory to optimise geometries of a six-layer Fe slab, followed by frozen mode finite displacement phonon calculations to compute Fe–H vibrational frequencies. We have found that the quasi-threefold (3f) site is the most stable adsorption site, with adsorption energies of ∼3.0 eV/H for all coverages studied. The long-bridge (lb) site, which is close in energy to the 3f site, is actually a transition state leading to the stable 3f site. The calculated harmonic vibrational frequencies collectively span from 730 to 1220 cm{sup −1}, for a range of coverages. The increased first-to-second layer spacing in the presence of adsorbed hydrogen, and the pronounced buckling observed in the Fe surface layer, may facilitate the diffusion of hydrogen atoms into the bulk, and therefore impact the early stages of hydrogen embrittlement in steels.

  1. Optically Controlled Distributed Quantum Computing Using Atomic Ensembles As Qubits

    Science.gov (United States)

    2016-02-23

    of lambda - type atoms. In Section 3, we summarize the model we had de- veloped previously for light shift blockade (LSB) of collective ex- citation...plane of | 〉a c1 2 and | 〉c a1 2 , so that the rotation matrix can be written as ⎡ ⎣ ⎢ ⎢ ⎢ ⎢ ⎢ ⎢ ⎢ ⎤ ⎦ ⎥ ⎥ ⎥ ⎥ ⎥ ⎥ ⎥ = − R 1 0 0 0 0 1 2 1 2 0 0 1 2 1 2...the Hamiltonian in the basis of states a a1 2 , a c1 2 , c a1 2 and c c1 2 is = ⊗ + ⊗H H I I H1 2 1 2 where Ii is the identity matrix and Hi is the

  2. Mechanical torques generated by optically pumped atomic spin relaxation at surfaces

    International Nuclear Information System (INIS)

    Herman, R.M.

    1982-01-01

    It is argued that a valuable method of observing certain types of surface-atom interactions may lie in mechanical torques generated through the spin-orbit relaxation of valence electronic spins of optically pumped atoms at surfaces. The unusual feature of this phenomenon is that the less probable spin-orbit relaxation becomes highly visible as compared with the much more rapid paramagnetic relaxation, because of an enhancement, typically by as much as a factor 10 9 , in the torques delivered to mechanical structures, by virtue of a very large effective moment arm. Spin-orbit relaxation operates through an exchange of translational momentum which, in turn, can be identified with the delivery of a gigantic angular momentum (in units of h) relative to a distant axis about which mechanical motion is referred. The spin-orbit relaxation strongly depends upon the atomic number of the surface atoms and the strength of interaction with the optically pumped atoms. Being dominated by high-atomic-number surface atoms, spin-orbit relaxation rates may not be too strongly influenced by minor surface contamination of lighter-weight optically active atoms

  3. Mechanical torques generated by optically pumped atomic spin relaxation at surfaces

    Science.gov (United States)

    Herman, R. M.

    1982-03-01

    It is argued that a valuable method of observing certain types of surface-atom interactions may lie in mechanical torques generated through the spin-orbit relaxation of valence electronic spins of optically pumped atoms at surfaces. The unusual feature of this phenomenon is that the less probable spin-orbit relaxation becomes highly visible as compared with the much more rapid paramagnetic relaxation, because of an enhancement, typically by as much as a factor 109, in the torques delivered to mechanical structures, by virtue of a very large effective moment arm. Spin-orbit relaxation operates through an exchange of translational momentum which, in turn, can be identified with the delivery of a gigantic angular momentum (in units of ℏ) relative to a distant axis about which mechanical motion is referred. The spin-orbit relaxation strongly depends upon the atomic number of the surface atoms and the strength of interaction with the optically pumped atoms. Being dominated by high-atomic-number surface atoms, spin-orbit-relaxation rates may not be too strongly influenced by minor surface contamination of lighter-weight optically active atoms.

  4. Growth mechanism and surface atomic structure of AgInSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Pena Martin, Pamela; Rockett, Angus A.; Lyding, Joseph [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, 1304 W. Green St., Urbana, Illinois 61801 (United States); Department of Electrical and Computer Engineering and the Beckman Institute, University of Illinois at Urbana-Champaign, 405 N. Matthews St., Urbana, Illinois 61801 (United States)

    2012-07-15

    The growth of (112)A-oriented AgInSe{sub 2} on GaAs (111)A and its surface reconstruction were studied by scanning tunneling microscopy, atomic force microscopy, and other techniques. Films were grown by a sputtering and evaporation method. Topographic STM images reveal that the film grew by atomic incorporation into surface steps resulting from screw dislocations on the surface. The screw dislocation density was {approx}10{sup 10} cm{sup 2}. Atomically resolved images also show that the surface atomic arrangement appears to be similar to that of the bulk, with a spacing of 0.35-0.41 nm. There is no observable reconstruction, which is unexpected for a polar semiconductor surface.

  5. Quantum interference in grazing scattering of swift He atoms from LiF(0 0 1) surfaces: Surface eikonal approximation

    Energy Technology Data Exchange (ETDEWEB)

    Gravielle, M.S. [Instituto de Astronomia y Fisica del Espacio, CONICET, Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires (Argentina); Dpto. de Fisica, FCEN, Universidad de Buenos Aires, Buenos Aires (Argentina)], E-mail: msilvia@iafe.uba.ar; Miraglia, J.E. [Instituto de Astronomia y Fisica del Espacio, CONICET, Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires (Argentina); Dpto. de Fisica, FCEN, Universidad de Buenos Aires, Buenos Aires (Argentina)

    2009-02-15

    This work deals with the interference effects recently observed in grazing collisions of few-keV atoms with insulator surfaces. The process is studied within a distorted-wave method, the surface eikonal approximation, based on the use of the eikonal wave function and involving axial channeled trajectories with different initial conditions. The theory is applied to helium atoms impinging on a LiF(0 0 1) surface along the <1 1 0> direction. The role played by the projectile polarization and the surface rumpling is investigated. We found that when both effects are included, the proposed eikonal approach provides angular projectile spectra in good agreement with the experimental findings.

  6. Quantum interference in grazing scattering of swift He atoms from LiF(0 0 1) surfaces: Surface eikonal approximation

    International Nuclear Information System (INIS)

    Gravielle, M.S.; Miraglia, J.E.

    2009-01-01

    This work deals with the interference effects recently observed in grazing collisions of few-keV atoms with insulator surfaces. The process is studied within a distorted-wave method, the surface eikonal approximation, based on the use of the eikonal wave function and involving axial channeled trajectories with different initial conditions. The theory is applied to helium atoms impinging on a LiF(0 0 1) surface along the direction. The role played by the projectile polarization and the surface rumpling is investigated. We found that when both effects are included, the proposed eikonal approach provides angular projectile spectra in good agreement with the experimental findings.

  7. Improved Root Normal Size Distributions for Liquid Atomization

    Science.gov (United States)

    2015-11-01

    ANSI Std. Z39.18 j CONVERSION TABLE Conversion Factors for U.S. Customary to metric (SI) units of measurement. MULTIPLY BY TO...Gray (Gy) coulomb /kilogram (C/kg) second (s) kilogram (kg) kilo pascal (kPa) 1 Improved Root Normal Size Distributions for Liquid

  8. Atomic and electronic structures of novel silicon surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.H. Jr.

    1997-03-01

    The modification of silicon surfaces is presently of great interest to the semiconductor device community. Three distinct areas are the subject of inquiry: first, modification of the silicon electronic structure; second, passivation of the silicon surface; and third, functionalization of the silicon surface. It is believed that surface modification of these types will lead to useful electronic devices by pairing these modified surfaces with traditional silicon device technology. Therefore, silicon wafers with modified electronic structure (light-emitting porous silicon), passivated surfaces (H-Si(111), Cl-Si(111), Alkyl-Si(111)), and functionalized surfaces (Alkyl-Si(111)) have been studied in order to determine the fundamental properties of surface geometry and electronic structure using synchrotron radiation-based techniques.

  9. Formation and structural phase transition in Co atomic chains on a Cu(775) surface

    International Nuclear Information System (INIS)

    Syromyatnikov, A. G.; Kabanov, N. S.; Saletsky, A. M.; Klavsyuk, A. L.

    2017-01-01

    The formation of Co atomic chains on a Cu(775) surface is investigated by the kinetic Monte Carlo method. It is found that the length of Co atomic chains formed as a result of self-organization during epitaxial growth is a random quantity and its mean value depends on the parameters of the experiment. The existence of two structural phases in atomic chains is detected using the density functional theory. In the first phase, the separations between an atom and its two nearest neighbors in a chain are 0.230 and 0.280 nm. In the second phase, an atomic chain has identical atomic spacings of 0.255 nm. It is shown that the temperature of the structural phase transition depends on the length of the atomic chain.

  10. Formation and structural phase transition in Co atomic chains on a Cu(775) surface

    Energy Technology Data Exchange (ETDEWEB)

    Syromyatnikov, A. G.; Kabanov, N. S.; Saletsky, A. M.; Klavsyuk, A. L., E-mail: klavsyuk@physics.msu.ru [Moscow State University (Russian Federation)

    2017-01-15

    The formation of Co atomic chains on a Cu(775) surface is investigated by the kinetic Monte Carlo method. It is found that the length of Co atomic chains formed as a result of self-organization during epitaxial growth is a random quantity and its mean value depends on the parameters of the experiment. The existence of two structural phases in atomic chains is detected using the density functional theory. In the first phase, the separations between an atom and its two nearest neighbors in a chain are 0.230 and 0.280 nm. In the second phase, an atomic chain has identical atomic spacings of 0.255 nm. It is shown that the temperature of the structural phase transition depends on the length of the atomic chain.

  11. The calculation of surface free energy based on embedded atom method for solid nickel

    International Nuclear Information System (INIS)

    Luo Wenhua; Hu Wangyu; Su Kalin; Liu Fusheng

    2013-01-01

    Highlights: ► A new solution for accurate prediction of surface free energy based on embedded atom method was proposed. ► The temperature dependent anisotropic surface energy of solid nickel was obtained. ► In isotropic environment, the approach does not change most predictions of bulk material properties. - Abstract: Accurate prediction of surface free energy of crystalline metals is a challenging task. The theory calculations based on embedded atom method potentials often underestimate surface free energy of metals. With an analytical charge density correction to the argument of the embedding energy of embedded atom method, an approach to improve the prediction for surface free energy is presented. This approach is applied to calculate the temperature dependent anisotropic surface energy of bulk nickel and surface energies of nickel nanoparticles, and the obtained results are in good agreement with available experimental data.

  12. Surface atomic relaxation and magnetism on hydrogen-adsorbed Fe(110) surfaces from first principles

    Science.gov (United States)

    Chohan, Urslaan K.; Jimenez-Melero, Enrique; Koehler, Sven P. K.

    2016-11-01

    We have computed adsorption energies, vibrational frequencies, surface relaxation and buckling for hydrogen adsorbed on a body-centred-cubic Fe(110) surface as a function of the degree of H coverage. This adsorption system is important in a variety of technological processes such as the hydrogen embrittlement in ferritic steels, which motivated this work, and the Haber-Bosch process. We employed spin-polarised density functional theory to optimise geometries of a six-layer Fe slab, followed by frozen mode finite displacement phonon calculations to compute Fe-H vibrational frequencies. We have found that the quasi-threefold (3f) site is the most stable adsorption site, with adsorption energies of ∼3.0 eV/H for all coverages studied. The long-bridge (lb) site, which is close in energy to the 3f site, is actually a transition state leading to the stable 3f site. The calculated harmonic vibrational frequencies collectively span from 730 to 1220 cm-1, for a range of coverages. The increased first-to-second layer spacing in the presence of adsorbed hydrogen, and the pronounced buckling observed in the Fe surface layer, may facilitate the diffusion of hydrogen atoms into the bulk, and therefore impact the early stages of hydrogen embrittlement in steels.

  13. Surface phonon modes of the NaI(001) crystal surface by inelastic He atom scattering

    International Nuclear Information System (INIS)

    Brug, W.P.; Chern, G.; Duan, J.; Safron, S.A.; Skofronick, J.G.; Benedek, G.

    1990-01-01

    The present theoretical treatment of the surface dynamics of ionic insulators employs the shell model with parameters obtained from bulk materials. The approach has been generally very successful in comparisons with experiment. However, most of the experimental surface dynamics work has been on the low-mass alkali halides with very little effort on higher energy modes or on the heavier alkali halides, where effects from relaxation might be important. The work of this paper explores these latter two conditions. Inelastic scattering of He atoms from the left-angle 110 right-angle NaI(001) surface has been used to obtain the acoustic S 1 Rayleigh mode, the S 6 longitudinal mode, and the S 8 crossing mode, however, no gap S 4 optical mode was seen. The results compare favorably with reported theoretical models employing both slab calculations and the Green's function method thus indicating that bulk parameters and the shell model go a long way in explaining most of the observations

  14. He atom surface spectroscopy: Surface lattice dynamics of insulators, metals and metal overlayers

    International Nuclear Information System (INIS)

    1990-01-01

    During the first three years of this grant (1985--1988) the effort was devoted to the construction of a state-of-the-art He atom scattering (HAS) instrument which would be capable of determining the structure and dynamics of metallic, semiconductor or insulator crystal surfaces. The second three year grant period (1988--1991) has been dedicated to measurements. The construction of the instrument went better than proposed; it was within budget, finished in the proposed time and of better sensitivity and resolution than originally planned. The same success has been carried over to the measurement phase where the concentration has been on studies of insulator surfaces, as discussed in this paper. The experiments of the past three years have focused primarily on the alkali halides with a more recent shift to metal oxide crystal surfaces. Both elastic and inelastic scattering experiments were carried out on LiF, NaI, NaCl, RbCl, KBr, RbBr, RbI, CsF, CsI and with some preliminary work on NiO and MgO

  15. An Analytical Model for Adsorption and Diffusion of Atoms/Ions on Graphene Surface

    Directory of Open Access Journals (Sweden)

    Yan-Zi Yu

    2015-01-01

    Full Text Available Theoretical investigations are made on adsorption and diffusion of atoms/ions on graphene surface based on an analytical continuous model. An atom/ion interacts with every carbon atom of graphene through a pairwise potential which can be approximated by the Lennard-Jones (L-J potential. Using the Fourier expansion of the interaction potential, the total interaction energy between the adsorption atom/ion and a monolayer graphene is derived. The energy-distance relationships in the normal and lateral directions for varied atoms/ions, including gold atom (Au, platinum atom (Pt, manganese ion (Mn2+, sodium ion (Na1+, and lithium-ion (Li1+, on monolayer graphene surface are analyzed. The equilibrium position and binding energy of the atoms/ions at three particular adsorption sites (hollow, bridge, and top are calculated, and the adsorption stability is discussed. The results show that H-site is the most stable adsorption site, which is in agreement with the results of other literatures. What is more, the periodic interaction energy and interaction forces of lithium-ion diffusing along specific paths on graphene surface are also obtained and analyzed. The minimum energy barrier for diffusion is calculated. The possible applications of present study include drug delivery system (DDS, atomic scale friction, rechargeable lithium-ion graphene battery, and energy storage in carbon materials.

  16. Noncontact AFM Imaging of Atomic Defects on the Rutile TiO2 (110) Surface

    DEFF Research Database (Denmark)

    Lauritsen, Jeppe Vang

    2015-01-01

    The atomic force microscope (AFM) operated in the noncontact mode (nc-AFM) offers a unique tool for real space, atomic-scale characterisation of point defects and molecules on surfaces, irrespective of the substrate being electrically conducting or non-conducting. The nc-AFM has therefore in rece...

  17. Determination of the radial distribution function with the tomographic atom probe

    International Nuclear Information System (INIS)

    Heinrich, A.; Al-Kassab, T.

    2004-01-01

    Full text: An algorithm for the determination of the radial distribution function (RDF) and the partial radial distribution function from tomographic atom probe data is introduced and some examples for its application are discussed. Homogeneous distribution of atoms can easily be determined from measured data. Using our algorithm, the lattice of simple cubic structures may be estimated solely from TAP data. The results for bcc and fcc alloys and metals will be presented. By evaluating the vicinity of each atom, information about order phenomena in multi component alloy can be retrieved including short range order. The advantage of determining the (partial) radial distribution functions for any sample with our algorithm is that all data can be derived by one single experiment whereas all other methods of determining a pRDF require one experiment for each pRDF. (author)

  18. Surface-initiated Atom Transfer Radical Polymerization - a Technique to Develop Biofunctional Coatings

    DEFF Research Database (Denmark)

    Fristrup, Charlotte Juel; Jankova Atanasova, Katja; Hvilsted, Søren

    2009-01-01

    The initial formation of initiating sites for atom transfer radical polymerization (ATRP) on various polymer surfaces and numerous inorganic and metallic surfaces is elaborated. The subsequent ATRP grafting of a multitude of monomers from such surfaces to generate thin covalently linked polymer...

  19. Atomic species recognition on oxide surfaces using low temperature scanning probe microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Zong Min, E-mail: mzmncit@163.com [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China); Shi, Yun Bo; Mu, Ji Liang; Qu, Zhang; Zhang, Xiao Ming; Qin, Li [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China); Liu, Jun, E-mail: liuj@nuc.edu.cn [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China)

    2017-02-01

    Highlights: • The coexisted phase of p(2 × 1)and c(6 × 2) on Cu(110)-O surface using AFM under UHV at low temperature. • Two different c(6 × 2) phase depending on the status of the tip apex. • Electronic state of tip seriously effect the resolution and stability of the sample surface. - Abstract: In scanning probe microscopy (SPM), the chemical properties and sharpness of the tips of the cantilever greatly influence the scanning of a sample surface. Variation in the chemical properties of the sharp tip apex can induce transformation of the SPM images. In this research, we explore the relationship between the tip and the structure of a sample surface using dynamic atomic force microscopy (AFM) on a Cu(110)-O surface under ultra-high vacuum (UHV) at low temperature (78 K). We observed two different c(6 × 2) phase types in which super-Cu atoms show as a bright spot when the tip apex is of O atoms and O atoms show as a bright spot when the tip apex is of Cu atoms. We also found that the electronic state of the tip has a serious effect on the resolution and stability of the sample surface, and provide an explanation for these phenomena. This technique can be used to identify atom species on sample surfaces, and represents an important development in the SPM technique.

  20. Growth mechanisms for Si epitaxy on O atomic layers: Impact of O-content and surface structure

    Energy Technology Data Exchange (ETDEWEB)

    Jayachandran, Suseendran, E-mail: suseendran.jayachandran@imec.be [Imec, Kapeldreef 75, 3001 Leuven (Belgium); KU Leuven (University of Leuven), Department of Metallurgy and Materials, Castle Arenberg 44, B-3001 Leuven (Belgium); Billen, Arne [Imec, Kapeldreef 75, 3001 Leuven (Belgium); KU Leuven (University of Leuven), Department of Chemistry, Celestijnenlaan 200F, B-3001 Leuven (Belgium); Douhard, Bastien; Conard, Thierry; Meersschaut, Johan; Moussa, Alain; Caymax, Matty; Bender, Hugo [Imec, Kapeldreef 75, 3001 Leuven (Belgium); Vandervorst, Wilfried [Imec, Kapeldreef 75, 3001 Leuven (Belgium); KU Leuven (University of Leuven), Department of Physics and Astronomy, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Heyns, Marc [Imec, Kapeldreef 75, 3001 Leuven (Belgium); KU Leuven (University of Leuven), Department of Metallurgy and Materials, Castle Arenberg 44, B-3001 Leuven (Belgium); Delabie, Annelies [Imec, Kapeldreef 75, 3001 Leuven (Belgium); KU Leuven (University of Leuven), Department of Chemistry, Celestijnenlaan 200F, B-3001 Leuven (Belgium)

    2016-10-30

    Highlights: • O{sub 3} or O{sub 2} exposures on H-Si(100) result in O ALs with different surface structures. • Si-EPI on O AL using O{sub 3} process is by direct epitaxial growth mechanism. • Si-EPI on O AL using O{sub 2} process is by epitaxial lateral overgrowth mechanism. • Distortions by O AL, SiH{sub 4} flux rate and Si thickness has an impact on Si-EPI quality. - Abstract: The epitaxial growth of Si layers on Si substrates in the presence of O atoms is generally considered a challenge, as O atoms degrade the epitaxial quality by generating defects. Here, we investigate the growth mechanisms for Si epitaxy on O atomic layers (ALs) with different O-contents and structures. O ALs are deposited by ozone (O{sub 3}) or oxygen (O{sub 2}) exposure on H-terminated Si at 50 °C and 300 °C respectively. Epitaxial Si is deposited by chemical vapor deposition using silane (SiH{sub 4}) at 500 °C. After O{sub 3} exposure, the O atoms are uniformly distributed in Si-Si dimer/back bonds. This O layer still allows epitaxial seeding of Si. The epitaxial quality is enhanced by lowering the surface distortions due to O atoms and by decreasing the arrival rate of SiH{sub 4} reactants, allowing more time for surface diffusion. After O{sub 2} exposure, the O atoms are present in the form of SiO{sub x} clusters. Regions of hydrogen-terminated Si remain present between the SiO{sub x} clusters. The epitaxial seeding of Si in these structures is realized on H-Si regions, and an epitaxial layer grows by a lateral overgrowth mechanism. A breakdown in the epitaxial ordering occurs at a critical Si thickness, presumably by accumulation of surface roughness.

  1. Surface features on Sahara soil dust particles made visible by atomic force microscope (AFM) phase images

    OpenAIRE

    G. Helas; M. O. Andreae

    2008-01-01

    We show that atomic force microscopy (AFM) phase images can reveal surface features of soil dust particles, which are not evident using other microscopic methods. The non-contact AFM method is able to resolve topographical structures in the nanometer range as well as to uncover repulsive atomic forces and attractive van der Waals' forces, and thus gives insight to surface properties. Though the method does not allow quantitative assignment in terms of chemical compound description, it clearly...

  2. Evaluation of Steadiness and Drop Size Distribution in Sprays Generated by Different Twin-Fluid Atomizers

    Directory of Open Access Journals (Sweden)

    Zaremba Matouš

    2015-01-01

    Full Text Available Twin-fluid atomizers underwent a significant development during the last few decades. They are common in many industrial applications such as fuel spraying, melt atomization and food processing. This paper is focused on the evaluation of four different twin-fluid atomizers. The aim is to compare the quality of sprays generated by various atomizers with similar dimensions and in the same operating regimes. A phase- Doppler anemometry (PDA and particle image velocimetry (PIV were used to measure spray characteristics such as velocity and size of the droplets. Measured data were used to compare droplet size distribution and to evaluate steadiness of the spray. Visualisations were made to support measured data and to clarify the principles of primary atomization and its influence on the spray.

  3. Evaluation of Steadiness and Drop Size Distribution in Sprays Generated by Different Twin-Fluid Atomizers

    Science.gov (United States)

    Zaremba, Matouš; Mlkvik, Marek; Malý, Milan; Jedelský, Jan; Jícha, Miroslav

    2015-05-01

    Twin-fluid atomizers underwent a significant development during the last few decades. They are common in many industrial applications such as fuel spraying, melt atomization and food processing. This paper is focused on the evaluation of four different twin-fluid atomizers. The aim is to compare the quality of sprays generated by various atomizers with similar dimensions and in the same operating regimes. A phase- Doppler anemometry (PDA) and particle image velocimetry (PIV) were used to measure spray characteristics such as velocity and size of the droplets. Measured data were used to compare droplet size distribution and to evaluate steadiness of the spray. Visualisations were made to support measured data and to clarify the principles of primary atomization and its influence on the spray.

  4. Electronic excitation of Ti atoms sputtered by energetic Ar+ and He+ from clean and monolayer oxygen covered surfaces

    International Nuclear Information System (INIS)

    Pellin, M.J.; Gruen, D.M.; Young, C.E.; Wiggins, M.D.; Argonne National Lab., IL

    1983-01-01

    Electronic excitation of Ti atoms ejected during energetic ion bombardment (Ar + , He + ) of well characterized clean and oxygen covered polycrystalline Ti metal surfaces has been determined. For states with 0 to 2 eV and 3 to 5.5 eV of electronic energy, static mode laser fluorescence spectroscopy (LFS) and static mode spontaneous fluorescence spectroscopy (SFS) were used respectively. These experiments which were carried out in a UHV ( -10 Torr) system equipped with an Auger spectrometer provide measurements of the correlation between oxygen coverage (0 to 3 monolayers) and the excited state distribution of sputtered Ti atoms. The experimentally determined electronic partition function of Ti atoms does not show an exponential dependence on energy (E) above the ground state but rather an E -2 or E -3 power law dependence. (orig.)

  5. Refined potentials for rare gas atom adsorption on rare gas and alkali-halide surfaces

    Science.gov (United States)

    Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

    1985-01-01

    The utilization of models of interatomic potential for physical interaction to estimate the long range attractive potential for rare gases and ions is discussed. The long range attractive force is calculated in terms of the atomic dispersion properties. A data base of atomic dispersion parameters for rare gas atoms, alkali ion, and halogen ions is applied to the study of the repulsive core; the procedure for evaluating the repulsive core of ion interactions is described. The interaction of rare gas atoms on ideal rare gas solid and alkali-halide surfaces is analyzed; zero coverage absorption potentials are derived.

  6. Interaction of K(nd) Rydberg atoms with an amorphous gold surface

    International Nuclear Information System (INIS)

    Gray, D.F.

    1988-01-01

    This thesis reports the first controlled study of the interactions of Rydberg atoms with a metal surface. In these experiments, a collimated beam of potassium Rydberg atoms is directed at a plane surface at near grazing incidence. Positive ions formed by surface ionization are attracted to the surface by their image charge, which is counterbalanced by an external electric field applied perpendicular to the surface. The ions are detected by a position-sensitive detector (PSD). At some critical value of the external field, the ion trajectories just miss the surface, suggesting that analysis of the dependence of the ion signals of external electric field can be used to determine the distance from the surface at which ionization occurs. This distance, and thus the corresponding critical electric field, is expected to be n-dependent. Experimentally, however, it was observed that the ion signal had a sudden n-independent onset when only a small positive perpendicular electric field was applied at the surface. This observation requires, surprisingly, that the ions produced by surface ionization can readily escape from the surface. The data do, however, show that Rydberg atoms are efficiently ionized in collisions with the surface. This process may provide a useful new detection technique for Rydberg atoms

  7. Convergent surface water distributions in U.S. cities

    Science.gov (United States)

    M.K. Steele; J.B. Heffernan; N. Bettez; J. Cavender-Bares; P.M. Groffman; J.M. Grove; S. Hall; S.E. Hobbie; K. Larson; J.L. Morse; C. Neill; K.C. Nelson; J. O' Neil-Dunne; L. Ogden; D.E. Pataki; C. Polsky; R. Roy Chowdhury

    2014-01-01

    Earth's surface is rapidly urbanizing, resulting in dramatic changes in the abundance, distribution and character of surface water features in urban landscapes. However, the scope and consequences of surface water redistribution at broad spatial scales are not well understood. We hypothesized that urbanization would lead to convergent surface water abundance and...

  8. Rapid generation of protein aerosols and nanoparticles via surface acoustic wave atomization

    International Nuclear Information System (INIS)

    Alvarez, Mar; Friend, James; Yeo, Leslie Y

    2008-01-01

    We describe the fabrication of a surface acoustic wave (SAW) atomizer and show its ability to generate monodisperse aerosols and particles for drug delivery applications. In particular, we demonstrate the generation of insulin liquid aerosols for pulmonary delivery and solid protein nanoparticles for transdermal and gastrointestinal delivery routes using 20 MHz SAW devices. Insulin droplets around 3 μm were obtained, matching the optimum range for maximizing absorption in the alveolar region. A new approach is provided to explain these atomized droplet diameters by returning to fundamental physical analysis and considering viscous-capillary and inertial-capillary force balance rather than employing modifications to the Kelvin equation under the assumption of parametric forcing that has been extended to these frequencies in past investigations. In addition, we consider possible mechanisms by which the droplet ejections take place with the aid of high-speed flow visualization. Finally, we show that nanoscale protein particles (50-100 nm in diameter) were obtained through an evaporative process of the initial aerosol, the final size of which could be controlled merely by modifying the initial protein concentration. These results illustrate the feasibility of using SAW as a novel method for rapidly producing particles and droplets with a controlled and narrow size distribution.

  9. Tunneling spectroscopy of a phosphorus impurity atom on the Ge(111)-(2 × 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Savinov, S. V.; Oreshkin, A. I., E-mail: oreshkin@spmlab.phys.msu.su, E-mail: oreshkin@spmlab.ru [Moscow State University (Russian Federation); Oreshkin, S. I. [Moscow State University, Sternberg Astronomical Institute (Russian Federation); Haesendonck, C. van [Laboratorium voor Stoffysica en Magnetisme (Belgium)

    2015-06-15

    We numerically model the Ge(111)-(2 × 1) surface electronic properties in the vicinity of a P donor impurity atom located near the surface. We find a notable increase in the surface local density of states (LDOS) around the surface dopant near the bottom of the empty surface state band π*, which we call a split state due to its limited spatial extent and energetic position inside the band gap. We show that despite the well-established bulk donor impurity energy level position at the very bottom of the conduction band, a surface donor impurity on the Ge(111)-(2 × 1) surface might produce an energy level below the Fermi energy, depending on the impurity atom local environment. It is demonstrated that the impurity located in subsurface atomic layers is visible in a scanning tunneling microscope (STM) experiment on the Ge(111)-(2 × 1) surface. The quasi-1D character of the impurity image, observed in STM experiments, is confirmed by our computer simulations with a note that a few π-bonded dimer rows may be affected by the presence of the impurity atom. We elaborate a model that allows classifying atoms on the experimental low-temperature STM image. We show the presence of spatial oscillations of the LDOS by the density-functional theory method.

  10. An important atomic process in the CVD growth of graphene: Sinking and up-floating of carbon atom on copper surface

    International Nuclear Information System (INIS)

    Li, Yingfeng; Li, Meicheng; Gu, TianSheng; Bai, Fan; Yu, Yue; Trevor, Mwenya; Yu, Yangxin

    2013-01-01

    By density functional theory (DFT) calculations, the early stages of the growth of graphene on copper (1 1 1) surface are investigated. At the very first time of graphene growth, the carbon atom sinks into subsurface. As more carbon atoms are adsorbed nearby the site, the sunken carbon atom will spontaneously form a dimer with one of the newly adsorbed carbon atoms, and the formed dimer will up-float on the top of the surface. We emphasize the role of the co-operative relaxation of the co-adsorbed carbon atoms in facilitating the sinking and up-floating of carbon atoms. In detail: when two carbon atoms are co-adsorbed, their co-operative relaxation will result in different carbon–copper interactions for the co-adsorbed carbon atoms. This difference facilitates the sinking of a single carbon atom into the subsurface. As a third carbon atom is co-adsorbed nearby, it draws the sunken carbon atom on top of the surface, forming a dimer. Co-operative relaxations of the surface involving all adsorbed carbon atoms and their copper neighbors facilitate these sinking and up-floating processes. This investigation is helpful for the deeper understanding of graphene synthesis and the choosing of optimal carbon sources or process.

  11. Atom

    International Nuclear Information System (INIS)

    Auffray, J.P.

    1997-01-01

    The atom through centuries, has been imagined, described, explored, then accelerated, combined...But what happens truly inside the atom? And what are mechanisms who allow its stability? Physicist and historian of sciences, Jean-Paul Auffray explains that these questions are to the heart of the modern physics and it brings them a new lighting. (N.C.)

  12. Magnetic character of holmium atom adsorbed on platinum surface

    Czech Academy of Sciences Publication Activity Database

    Shick, Alexander; Shapiro, D.S.; Kolorenč, Jindřich; Lichtenstein, A.I.

    2017-01-01

    Roč. 7, č. 1 (2017), s. 1-6, č. článku 2751. ISSN 2045-2322 R&D Projects: GA ČR GC15-05872J Grant - others:GA MŠk(CZ) LM2015042 Institutional support: RVO:68378271 Keywords : rare-earth adatoms * density-functional theory * single-atom magnets Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.259, year: 2016

  13. Coherent anti-Stokes Raman scattering (CARS) detection or hot atom reaction product internal energy distributions

    International Nuclear Information System (INIS)

    Quick, C.R. Jr.; Moore, D.S.

    1983-01-01

    Coherent anti-Stokes Raman spectroscopy (CARS) is being utilized to investigate the rovibrational energy distributions produced by reactive and nonreactive collisions of translationally hot atoms with simple molecules. Translationally hot H atoms are produced by ArF laser photolysis of HBr. Using CARS we have monitored, in a state-specific and time-resolved manner, rotational excitation of HBr (v = 0), vibrational excitation of HBr and H 2 , rovibrational excitation of H 2 produced by the reaction H + HBr → H 2 + Br, and Br atom production by photolysis of HBr

  14. Nitrogen Atom Energy Distributions in a Hollow-cathode Planar Sputtering Magnetron

    International Nuclear Information System (INIS)

    Ruzic, D.N.; Goeckner, M.J.; Cohen, S.A.; Wang, Zhehui

    1999-01-01

    Energy distributions of N atoms in a hollow-cathode planar sputtering magnetron were obtained by use of optical emission spectroscopy. A characteristic line, N I 8216.3 , well-separated from molecular nitrogen emission bands, was identified. Jansson's nonlinear spectral deconvolution method, refined by minimization of χ w ampersand sup2; , was used to obtain the optimal deconvolved spectra. These showed nitrogen atom energies from 1 eV to beyond 500 eV. Based on comparisons with VFTRIM results, we propose that the energetic N atoms are generated from N 2 + ions after these ions are accelerated through the sheath and dissociatively reflect from the cathode

  15. Description of atomic burials in compact globular proteins by Fermi-Dirac probability distributions.

    Science.gov (United States)

    Gomes, Antonio L C; de Rezende, Júlia R; Pereira de Araújo, Antônio F; Shakhnovich, Eugene I

    2007-02-01

    We perform a statistical analysis of atomic distributions as a function of the distance R from the molecular geometrical center in a nonredundant set of compact globular proteins. The number of atoms increases quadratically for small R, indicating a constant average density inside the core, reaches a maximum at a size-dependent distance R(max), and falls rapidly for larger R. The empirical curves turn out to be consistent with the volume increase of spherical concentric solid shells and a Fermi-Dirac distribution in which the distance R plays the role of an effective atomic energy epsilon(R) = R. The effective chemical potential mu governing the distribution increases with the number of residues, reflecting the size of the protein globule, while the temperature parameter beta decreases. Interestingly, betamu is not as strongly dependent on protein size and appears to be tuned to maintain approximately half of the atoms in the high density interior and the other half in the exterior region of rapidly decreasing density. A normalized size-independent distribution was obtained for the atomic probability as a function of the reduced distance, r = R/R(g), where R(g) is the radius of gyration. The global normalized Fermi distribution, F(r), can be reasonably decomposed in Fermi-like subdistributions for different atomic types tau, F(tau)(r), with Sigma(tau)F(tau)(r) = F(r), which depend on two additional parameters mu(tau) and h(tau). The chemical potential mu(tau) affects a scaling prefactor and depends on the overall frequency of the corresponding atomic type, while the maximum position of the subdistribution is determined by h(tau), which appears in a type-dependent atomic effective energy, epsilon(tau)(r) = h(tau)r, and is strongly correlated to available hydrophobicity scales. Better adjustments are obtained when the effective energy is not assumed to be necessarily linear, or epsilon(tau)*(r) = h(tau)*r(alpha,), in which case a correlation with hydrophobicity

  16. Simulations of the azimuthal distribution of low-energy H atoms scattered off Ag(1 1 0) at grazing incidence: DFT many-body versus model pair potentials

    CERN Document Server

    Cafarelli, P; Benazeth, C; Nieuwjaer, N; Lorente, N

    2003-01-01

    We compare the azimuthal distribution of H atoms after scattering off Ag(1 1 0) obtained by molecular dynamics with different H-Ag(1 1 0) potential energy surfaces (PES) and experimental results. We use grazing incident H atoms and low energies (up to 4 keV). Density functional theory (DFT) calculations are performed for the static case of an H atom in front of an Ag(1 1 0) surface. The surface is represented by an 8-atom slab, and the H atoms form 1x1 and 2x2 supercells. The generalized gradient approximation is used. Classical trajectories are evaluated on the obtained PES, and the azimuthal distribution of the scattered atoms is calculated. Good agreement with experiment is obtained which gives us some confidence in the correct description of the system at low energies by the static DFT calculations. These results are also compared with pair-potential calculations. The accuracy of trajectories may be important for the correct evaluation of charge transfer, energy loss and straggling during ion-surface coll...

  17. Surface Magnetism of Cobalt Nanoislands Controlled by Atomic Hydrogen.

    Science.gov (United States)

    Park, Jewook; Park, Changwon; Yoon, Mina; Li, An-Ping

    2017-01-11

    Controlling the spin states of the surface and interface is key to spintronic applications of magnetic materials. Here, we report the evolution of surface magnetism of Co nanoislands on Cu(111) upon hydrogen adsorption and desorption with the hope of realizing reversible control of spin-dependent tunneling. Spin-polarized scanning tunneling microscopy reveals three types of hydrogen-induced surface superstructures, 1H-(2 × 2), 2H-(2 × 2), and 6H-(3 × 3), with increasing H coverage. The prominent magnetic surface states of Co, while being preserved at low H coverage, become suppressed as the H coverage level increases, which can then be recovered by H desorption. First-principles calculations reveal the origin of the observed magnetic surface states by capturing the asymmetry between the spin-polarized surface states and identify the role of hydrogen in controlling the magnetic states. Our study offers new insights into the chemical control of magnetism in low-dimensional systems.

  18. Stripping scattering of fast atoms on surfaces of metal-oxide crystals and ultrathin films

    International Nuclear Information System (INIS)

    Blauth, David

    2010-01-01

    In the framework of the present dissertation the interactions of fast atoms with surfaces of bulk oxides, metals and thin films on metals were studied. The experiments were performed in the regime of grazing incidence of atoms with energies of some keV. The advantage of this scattering geometry is the high surface sensibility and thus the possibility to determine the crystallographic and electronic characteristics of the topmost surface layer. In addition to these experiments, the energy loss and the electron emission induced by scattered projectiles was investigated. The energy for electron emission and exciton excitation on Alumina/NiAl(110) and SiO 2 /Mo(112) are determined. By detection of the number of projectile induced emitted electrons as function of azimuthal angle for the rotation of the target surface, the geometrical structure of atoms forming the topmost layer of different adsorbate films on metal surfaces where determined via ion beam triangulation. (orig.)

  19. Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe

    International Nuclear Information System (INIS)

    Zoest, J.M. van.

    1986-01-01

    This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)

  20. Techniques for obtaining velocity distributions of atoms or ions from Doppler-broadened spectral line profiles

    International Nuclear Information System (INIS)

    Moran, T.G.

    1986-12-01

    Analysis of the doppler-broadened profiles of spectral lines radiated by atoms or ions in plasmas yields information about their velocity distributions. Researchers have analysed profiles of lines radiated by atoms in isotropic velocity distributions in several ways, one being the inversion of the integral equation which relates the velocity distribution to the line profile. This inversion formula was derived for a separate application and was given to within an arbitrary multiplicative constant. This paper presents a new derivation which obtains the inversion exactly, using a method which is easily generalized for determination of anisotropic velocity distribution functions. The technique to obtain an anisotropic velocity distribution function from line profiles measured at different angles is outlined

  1. Dechanneling measurements of defect depth profiles and effective cross-channel distribution of misaligned atoms in ion irradiated gold

    International Nuclear Information System (INIS)

    Pronko, P.P.

    1975-01-01

    Defect depth profiles for self ion and He + irradiated gold are obtained from single and multiple scatter dechanneling analysis in single crystal gold films. Quantitative defect densities are obtained through use of atomic scattering cross sections. Integral damage profiles are extracted from the dechanneling spectra and subsequently differentiated to yield the volume concentration of defects as a function of depth. Results from the self ion irradiations suggest that incident ions produce defect distributions across depths much greater than predicted by random stopping theory. This is in agreement with TEM observations of others. Comparison of the experimental profiles is made with theoretical vacancy distributions predicted by defect diffusion in a radiation environment. Similarities are observed for the low fluence irradiations suggesting that profile characteristics may be controlled by rapid migration and loss of interstitials to the film surfaces during irradiation. Information on the across-channel distribution of misaligned atoms in the damaged films is obtained with the steady increase of transverse energy model applied to the dechanneling spectra. A predominance of slight misalignment is observed with no contribution to dechanneling coming from atoms displaced significantly close to the center of the channels. This is in keeping with what is expected for crystal distortions caused by the strain fields associated with vacancy cluster defects

  2. Dechanneling measurements of defect depth profiles and effective cross-channel distribution of misaligned atoms in ion-irradiated gold

    International Nuclear Information System (INIS)

    Pronko, P.P.

    1976-01-01

    Defect depth profiles for self-ion and He + irradiated gold are obtained from single and multiple scatter dechanneling analysis in single-crystal gold films. Quantitative defect densities are obtained through use of atomic-scattering cross sections. Integral damage profiles are extracted from the dechanneling spectra and subsequently differentiated to yield the volume concentration of defects as a function of depth. Results from the self-ion irradiations suggest that incident ions produce defect distributions across depths much greater than predicted by random stopping theory. This is in agreement with TEM observations of others. Comparison of the experimental profiles is made with theoretical vacancy distributions predicted by defect diffusion in a radiation environment. Similarities are observed for the low-fluence irradiations, suggesting that profile characteristics may be controlled by rapid migration and loss of interstitials to the film surfaces during irradiation. Information on the across-channel distribution of misaligned atoms in the damaged films is obtained with the steady increase of transverse energy model. A predominance of slight misalignment is observed with no contribution to dechanneling coming from atoms displaced significantly close to the center of the channels. This is in keeping with what is expected for crystal distortions caused by the strain fields associated with vacancy cluster defects. (Auth.)

  3. Liquid Atomization Induced by Pulse Laser Reflection underneath Liquid Surface

    Science.gov (United States)

    Utsunomiya, Yuji; Kajiwara, Takashi; Nishiyama, Takashi; Nagayama, Kunihito; Kubota, Shiro; Nakahara, Motonao

    2009-05-01

    We observed a novel effect of pulse laser reflection at the interface between transparent materials with different refractive indices. The electric field intensity doubles when a laser beam is completely reflected from a material with a higher refractive index to a material with a lower index. This effect appreciably reduces pulse laser ablation threshold of transparent materials. We performed experiments to observe the entire ablation process for laser incidence on the water-air interface using pulse laser shadowgraphy with high-resolution film; the minimum laser fluence for laser ablation at the water-air interface was approximately 12-16 J/cm2. We confirmed that this laser ablation occurs only when the laser beam is incident on the water-air interface from water. Many slender liquid ligaments extend like a milk crown and seem to be atomized at the tip. Their detailed structures can be resolved only by pulse laser photography using high-resolution film.

  4. Geometry, charge distribution, and surface speciation of phosphate on goethite.

    NARCIS (Netherlands)

    Rahnemaie, R.; Hiemstra, T.; Riemsdijk, van W.H.

    2007-01-01

    The surface speciation of phosphate has been evaluated with surface complexation modeling using an interfacial charge distribution (CD) approach based on ion adsorption and ordering of interfacial water. In the CD model, the charge of adsorbed ions is distributed over two electrostatic potentials in

  5. Investigation of integrin expression on the surface of osteoblast-like cells by atomic force microscopy

    International Nuclear Information System (INIS)

    Caneva Soumetz, Federico; Saenz, Jose F.; Pastorino, Laura; Ruggiero, Carmelina; Nosi, Daniele; Raiteri, Roberto

    2010-01-01

    The transforming growth factor β1 (TGF-β1) is a human cytokine which has been demonstrated to modulate cell surface integrin repertoire. In this work integrin expression in response to TGF-β1 stimulation has been investigated on the surface of human osteoblast-like cells. We used atomic force microscopy (AFM) and confocal laser scanning microscopy to assess integrin expression and to evaluate their distribution over the dorsal side of the plasma membrane. AFM probes have been covalently functionalised with monoclonal antibodies specific to the β1 integrin subunit. Force curves have been collected in order to obtain maps of the interaction between the immobilized antibody and the respective cell membrane receptors. Adhesion peaks have been automatically detected by means of an ad hoc developed data analysis software. The specificity of the detected interactions has been assessed by adding free antibody in the solution and monitoring the dramatic decrease in the recorded interactions. In addition, the effect of TGF-β1 treatment on both the fluorescence signal and the adhesion events has been tested. The level of expression of the β1 integrin subunit was enhanced by TGF-β1. As a further analysis, the adhesion force of the single living cells to the substrate was measured by laterally pushing the cell with the AFM tip and measuring the force necessary to displace it. The treatment with TGF-β1 resulted in a decrease of the cell/substrate adhesion force. Results obtained by AFM have been validated by confocal laser scanning microscopy thus demonstrating the high potential of the AFM technique for the investigation of cell surface receptors distribution and trafficking at the nanoscale.

  6. Investigation of integrin expression on the surface of osteoblast-like cells by atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Caneva Soumetz, Federico [Department of Communication, Computer and System Sciences, University of Genova, Via Opera Pia, 13-16145 Genova (Italy); Saenz, Jose F. [Biophysical and Electronic Engineering Department, University of Genova, Via All' Opera Pia 11a, 16145 Genova (Italy); Pastorino, Laura; Ruggiero, Carmelina [Department of Communication, Computer and System Sciences, University of Genova, Via Opera Pia, 13-16145 Genova (Italy); Nosi, Daniele [Department of Anatomy, Histology and Forensic Medicine, Bio-photonic Laboratory, University of Florence, viale Morgagni, 85 Firenze, CAP 50134 Florence (Italy); Raiteri, Roberto, E-mail: rr@unige.it [Biophysical and Electronic Engineering Department, University of Genova, Via All' Opera Pia 11a, 16145 Genova (Italy)

    2010-03-15

    The transforming growth factor {beta}1 (TGF-{beta}1) is a human cytokine which has been demonstrated to modulate cell surface integrin repertoire. In this work integrin expression in response to TGF-{beta}1 stimulation has been investigated on the surface of human osteoblast-like cells. We used atomic force microscopy (AFM) and confocal laser scanning microscopy to assess integrin expression and to evaluate their distribution over the dorsal side of the plasma membrane. AFM probes have been covalently functionalised with monoclonal antibodies specific to the {beta}1 integrin subunit. Force curves have been collected in order to obtain maps of the interaction between the immobilized antibody and the respective cell membrane receptors. Adhesion peaks have been automatically detected by means of an ad hoc developed data analysis software. The specificity of the detected interactions has been assessed by adding free antibody in the solution and monitoring the dramatic decrease in the recorded interactions. In addition, the effect of TGF-{beta}1 treatment on both the fluorescence signal and the adhesion events has been tested. The level of expression of the {beta}1 integrin subunit was enhanced by TGF-{beta}1. As a further analysis, the adhesion force of the single living cells to the substrate was measured by laterally pushing the cell with the AFM tip and measuring the force necessary to displace it. The treatment with TGF-{beta}1 resulted in a decrease of the cell/substrate adhesion force. Results obtained by AFM have been validated by confocal laser scanning microscopy thus demonstrating the high potential of the AFM technique for the investigation of cell surface receptors distribution and trafficking at the nanoscale.

  7. Atomic scale study of the chemistry of oxygen, hydrogen and water at SiC surfaces

    International Nuclear Information System (INIS)

    Amy, Fabrice

    2007-01-01

    Understanding the achievable degree of homogeneity and the effect of surface structure on semiconductor surface chemistry is both academically challenging and of great practical interest to enable fabrication of future generations of devices. In that respect, silicon terminated SiC surfaces such as the cubic 3C-SiC(1 0 0) 3 x 2 and the hexagonal 6H-SiC(0 0 0 1) 3 x 3 are of special interest since they give a unique opportunity to investigate the role of surface morphology on oxygen or hydrogen incorporation into the surface. In contrast to silicon, the subsurface structure plays a major role in the reactivity, leading to unexpected consequences such as the initial oxidation starting several atomic planes below the top surface or the surface metallization by atomic hydrogen. (review article)

  8. Dynamics of a Rydberg hydrogen atom near a metal surface in the electron-extraction scheme

    Energy Technology Data Exchange (ETDEWEB)

    Iñarrea, Manuel [Área de Física Aplicada, Universidad de La Rioja, Logroño (Spain); Lanchares, Víctor [Departamento de Matemáticas y Computación, Universidad de La Rioja, Logroño, La Rioja (Spain); Palacián, Jesús [Departamento de Ingeniería Matemática e Informática, Universidad Pública de Navarra, Pamplona (Spain); Pascual, Ana I. [Departamento de Matemáticas y Computación, Universidad de La Rioja, Logroño, La Rioja (Spain); Salas, J. Pablo, E-mail: josepablo.salas@unirioja.es [Área de Física Aplicada, Universidad de La Rioja, Logroño (Spain); Yanguas, Patricia [Departamento de Ingeniería Matemática e Informática, Universidad Pública de Navarra, Pamplona (Spain)

    2015-01-23

    We study the classical dynamics of a Rydberg hydrogen atom near a metal surface in the presence of a constant electric field in the electron-extraction situation [1], e.g., when the field attracts the electron to the vacuum. From a dynamical point of view, this field configuration provides a dynamics richer than in the usual ion-extraction scheme, because, depending on the values of field and the atom–surface distance, the atom can be ionized only towards the metal surface, only to the vacuum or to the both sides. The evolution of the phase space structure as a function of the atom–surface distance is explored in the bound regime of the atom. In the high energy regime, the ionization mechanism is also investigated. We find that the classical results of this work are in good agreement with the results obtained in the wave-packet propagation study carried out by So et al. [1]. - Highlights: • We study a classical hydrogen atom near a metal surface plus a electric field. • We explore the phase space structure as a function of the field strength. • We find most of the electronic orbits are oriented along the field direction. • We study the ionization of the atom for several atom–surface distances. • This classical study is in good agreement with the quantum results.

  9. SASP '86: Symposium on atomic and surface physics

    International Nuclear Information System (INIS)

    Howorka, F.; Lindinger, W.; Maerk, T.D.

    1986-02-01

    71 papers are presented on subject matters indicated in the section headings: 1) Ion-neutral and neutral-neutral interactions in the gas phase; 2) Laser physics and photonics; 3) Electron collisions and electronic capture; 4) Ion-surface interaction and plasma-related effects; 5) Cluster physics. 70 thereof are of INIS interested and are treated separately. (G.Q.)

  10. Surface forces studied with colloidal probe atomic force microscopy

    NARCIS (Netherlands)

    Giesbers, M.

    2001-01-01

    Forces between surfaces are a determining factor for the performance of natural as well as synthetic colloidal systems, and play a crucial role in industrial production processes. Measuring these forces is a scientific and experimental challenge and over the years several techniques have

  11. He atom surface scattering: Surface dynamics of insulators, overlayers and crystal growth

    International Nuclear Information System (INIS)

    1992-01-01

    Investigations have focused primarily on surface structure and dynamics of ionic insulators, epitaxial growth onto alkali halide crystals and multiphoton studies. The surface dynamics of RbCl has been re-examined. We have developed a simple force constant model which provides insight into the dynamics of KBr overlayers on NaCl(001), a system with a large lattice mismatch. The KBr/NaCl(001) results are compared to Na/Cu(001) and NaCl/Ge(001). We have completed epitaxial growth experiments for KBr onto RbCl(001). Slab dynamics calculations using a shell model for this system with very small lattice mismatch are being carried out in collaboration with Professor Manson of Clemson University and with Professor Schroeder in Regensburg, Germany. Extensive experiments on multiphoton scattering of helium atoms onto NaCl and, particularly, LiF have been carried out and the theory has been developed to a rather advanced stage by Professor Manson. This work will permit the extraction of more information from time-of-flight spectra. It is shown that the theoretical model provides a very good description of the multiphoton scattering from organic films. Work has started on self-assembling organic films on gold (alkyl thiols/Au(111)). We have begun to prepare and characterize the gold crystal; one of the group members has spent two weeks at the Oak Ridge National Laboratory learning the proper Au(111) preparation techniques. One of our students has carried out neutron scattering experiments on NiO, measuring both bulk phonon and magnon dispersion curves

  12. Surface modification of polystyrene with atomic oxygen radical anions-dissolved solution

    International Nuclear Information System (INIS)

    Wang Lian; Yan Lifeng; Zhao Peitao; Torimoto, Yoshifumi; Sadakata, Masayoshi; Li Quanxin

    2008-01-01

    A novel approach to surface modification of polystyrene (PS) polymer with atomic oxygen radical anions-dissolved solution (named as O - water) has been investigated. The O - water, generated by bubbling of the O - (atomic oxygen radical anion) flux into the deionized water, was characterized by UV-absorption spectroscopy and electron paramagnetic resonance (EPR) spectroscopy. The O - water treatments caused an obvious increase of the surface hydrophilicity, surface energy, surface roughness and also caused an alteration of the surface chemical composition for PS surfaces, which were indicated by the variety of contact angle and material characterization by atomic force microscope (AFM) imaging, field emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), and attenuated total-reflection Fourier transform infrared (ATR-FTIR) measurements. Particularly, it was found that some hydrophilic groups such as hydroxyl (OH) and carbonyl (C=O) groups were introduced onto the polystyrene surfaces via the O - water treatment, leading to the increases of surface hydrophilicity and surface energy. The active oxygen species would react with the aromatic ring molecules on the PS surfaces and decompose the aromatic compounds to produce hydrophilic hydroxyl and carbonyl compounds. In addition, the O - water is also considered as a 'clean solution' without adding any toxic chemicals and it is easy to be handled at room temperature. Present method may suit to the surface modification of polymers and other heat-sensitive materials potentially

  13. Adsorption of atomic oxygen (N2O) on a clean Ge(001) surface

    NARCIS (Netherlands)

    Zandvliet, Henricus J.W.; Keim, Enrico G.; van Silfhout, Arend

    1990-01-01

    We present the results of a study concerning the interaction of atomic oxygen (as released by decomposition of N2O ) with the clean Ge(001)2×1 surface at 300 K. Ellipsometry in the photon energy range of 1.5–4 eV, surface conductance measurements and Auger electron spectroscopy(AES) have been used

  14. Design of Rotary Atomizer Using Characteristics of Thin Film Flow on Solid Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Park, Boo Seong; Kim, Bo Hung [Univ. of Ulsan, Ulsan (Korea, Republic of)

    2013-12-15

    A disc-type rotary atomizer affords advantages such as superior paint transfer efficiency, uniformity of paint pattern and particle size, and less consumption of compressed air compared to a spray-gun-type atomizer. Furthermore, it can be applied to all types of painting materials, and it is suitable for large-scale processes such as car painting. The painting quality, which is closely related to the atomizer performance, is determined by the uniformity and droplet size in accordance with the design of the bell disc surface. This study establishes the basics of how to design a surface by modeling the operating bell disc's RPM, diameter, surface angle, and film thickness considering dye characteristics such as the viscosity, density, and surface affinity.

  15. Observation of Coherent and Incoherent Dissociation Mechanisms in the Angular Distribution of Atomic Photofragment Alignment

    International Nuclear Information System (INIS)

    Bracker, A.S.; Lee, Y.T.; Bracker, A.S.; Wouters, E.R.; Suits, A.G.; Lee, Y.T.; Lee, Y.T.; Vasyutinskii, O.S.

    1998-01-01

    We have analyzed the recoil angle dependence of chlorine atom angular momentum alignment for the dissociation of chlorine molecules at 355nm. This angular distribution was isolated from ion image measurements, which map a three-dimensional velocity vector distribution of state-selectively-ionized photofragments into a two-dimensional spatial distribution. Using a general quantum mechanical method to simulate the alignment angular distribution, we show that there are clear contributions to alignment from both incoherent and coherent components of a perpendicular optical transition in the molecule. copyright 1998 The American Physical Society

  16. Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis

    Energy Technology Data Exchange (ETDEWEB)

    Masadeh, A S; Bozin, E S; Farrow, C L; Paglia, G; Juhas, P; Billinge, S J. L.; Karkamkar, A; Kanatzidis, M G [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1116 (United States); Department of Chemistry, Michigan State University, East Lansing, Michigan 48824-1116 (United States)

    2007-09-15

    The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in terms of the wurtzite atomic structure with extensive stacking faults. The density of faults in the nanoparticles is {approx}50%. The diameter of the core region was extracted directly from the PDF data and is in good agreement with the diameter obtained from standard characterization methods, suggesting that there is little surface amorphous region. A compressive strain was measured in the Cd-Se bond length that increases with decreasing particle size being 0.5% with respect to bulk CdSe for the 2 nm diameter particles. This study demonstrates the size-dependent quantitative structural information that can be obtained even from very small nanoparticles using the PDF approach.

  17. Distribution Function of the Atoms of Spacetime and the Nature of Gravity

    Directory of Open Access Journals (Sweden)

    Thanu Padmanabhan

    2015-10-01

    Full Text Available The fact that the equations of motion for matter remain invariant when a constant is added to the Lagrangian suggests postulating that the field equations of gravity should also respect this symmetry. This principle implies that: (1 the metric cannot be varied in any extremum principle to obtain the field equations; and (2 the stress-tensor of matter should appear in the variational principle through the combination Tabnanb where na is an auxiliary null vector field, which could be varied to get the field equations. This procedure uniquely selects the Lanczos–Lovelock models of gravity in D-dimensions and Einstein’s theory in D = 4. Identifying na with the normals to the null surfaces in the spacetime in the macroscopic limit leads to a thermodynamic interpretation for gravity. Several geometrical variables and the equation describing the spacetime evolution acquire a thermodynamic interpretation. Extending these ideas one level deeper, we can obtain this variational principle from a distribution function for the “atoms of spacetime”, which counts the number of microscopic degrees of freedom of the geometry. This is based on the curious fact that the renormalized spacetime endows each event with zero volume, but finite area!

  18. Non-thermal distribution of O(1D) atoms in the night-time thermosphere

    Science.gov (United States)

    Yee, Jeng-Hwa

    1988-01-01

    The 6300 A O(1D-3P) emission has been used for many years to remotely monitor the thermospheric temperature from the Doppler width of its line profile. The O(1D) atoms in the nighttime thermosphere are initially produced by the dissociative recombination of O2(+) ions with kinetic energy much greater than the thermal energy of the ambient neutrals. The validity of the technique to monitor neutral ambient temperature by measuring O(1D) 6300 A emission depends on the degree of thermalization of the O(1D) atoms. The object of this study is to calculate the velocity distribution of the O(1D) atoms and to examine the effect of nonthermal distribution on the nighttime thermospheric neutral temperature determined.

  19. An apparatus for measuring the energy and angular distribution of electrons in ion-atom collisions

    International Nuclear Information System (INIS)

    Gibson, D.K.; Petersen, M.C.E.

    1978-07-01

    There is a need for further data on the energy and angular distribution of electrons ejected from atoms and molecules by ion impact. An apparatus in which simultaneous measurements can be made of the energy and angular distributions of such electrons is described. The advantages of the apparatus are the possibility of fast data collection and the ability to make measurements over the whole range of scattering angle. Preliminary tests and a trial measurement with the apparatus are described

  20. The Effect of Nozzle Design and Operating Conditions on the Atomization and Distribution of Fuel Sprays

    Science.gov (United States)

    Lee, Dana W

    1933-01-01

    The atomization and distribution characteristics of fuel sprays from automatic injection valves for compression-ignition engines were determined by catching the fuel drops on smoked-glass plates, and then measuring and counting the impressions made in the lampblack. The experiments were made in an air-tight chamber in which the air density was raised to values corresponding to engine conditions.

  1. Probing Field Distributions on Waveguide Structures with an Atomic Force/Photon Scanning Tunneling Microscope

    NARCIS (Netherlands)

    Borgonjen, E.G.; Borgonjen, E.G.; Moers, M.H.P.; Moers, M.H.P.; Ruiter, A.G.T.; van Hulst, N.F.

    1995-01-01

    A 'stand-alone' Photon Scanning Tunneling Microscope combined with an Atomic force Microscope, using a micro-fabricated silicon-nitride probe, is applied to the imaging of field distribution in integrated optical ridge waveguides. The electric field on the waveguide is locally probed by coupling to

  2. Distribution and kinematics of atomic and molecular gas inside the solar circle

    NARCIS (Netherlands)

    Marasco, A.; Fraternali, F.; van der Hulst, J. M.; Oosterloo, T.

    2017-01-01

    The detailed distribution and kinematics of the atomic and the CO-bright molecular hydrogen in the disc of the Milky Way inside the solar circle are derived under the assumptions of axisymmetry and pure circular motions. We divide the Galactic disc into a series of rings, and assume that the gas in

  3. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    International Nuclear Information System (INIS)

    Pei Xianqiang; Li Yan; Wang Qihua; Sun Xiaojun

    2009-01-01

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation

  4. Dynamical interaction of He atoms with metal surfaces: Charge transfer processes

    International Nuclear Information System (INIS)

    Flores, F.; Garcia Vidal, F.J.; Monreal, R.

    1993-01-01

    A self-consistent Kohn-Sham LCAO method is presented to calculate the charge transfer processes between a He * -atom and metal surfaces. Intra-atomic correlation effects are taken into account by considering independently each single He-orbital and by combining the different charge transfer processes into a set of dynamical rate equations for the different ion charge fractions. Our discussion reproduces qualitatively the experimental evidence and gives strong support to the method presented here. (author). 24 refs, 4 figs

  5. Distributed feedback guided surface acoustic wave microresonator

    Science.gov (United States)

    Golan, G.; Griffel, G.; Seidman, A.; Croitoru, N.

    1989-08-01

    Surface acoustic wave resonators have been used in a number of applications: high-Q frequency filtering, very accurate frequency sources, etc. A major disadvantage of conventional resonators is their large dimensions, which makes them inadequate for integrated acoustics applications. In order to overcome these size limitations a new type of microresonator was designed, developed, and tested. In this paper, theoretical calculations and measurements on two kinds of such devices (a corrugated waveguide filter and a microresonator structure) are presented and their possible applications are discussed.

  6. Passivation of CdZnTe surfaces by oxidation in low energy atomic oxygen

    International Nuclear Information System (INIS)

    Chen, H.; Chattopadhyay, K.; Chen, K.; Burger, A.; George, M.A.; Gregory, J.C.; Nag, P.K.; Weimer, J.J.; James, R.B.

    1999-01-01

    A method of surface passivation of Cd 1-x Zn x Te (CZT) x-ray and gamma ray detectors has been established by using microwave-assisted atomic oxygen bombardment. Detector performance is significantly enhanced due to the reduction of surface leakage current. CZT samples were exposed to an atomic oxygen environment at the University of Alabama in Huntsville close-quote s Thermal Atomic Oxygen Facility. This system generates neutral atomic oxygen species with kinetic energies of 0.1 - 0.2 eV. The surface chemical composition and its morphology modification due to atomic oxygen exposure were studied by x-ray photoelectron spectroscopy and atomic force microscopy and the results were correlated with current-voltage measurements and with room temperature spectral responses to 133 Ba and 241 Am radiation. A reduction of leakage current by about a factor of 2 is reported, together with significant improvement in the gamma-ray line resolution. copyright 1999 American Vacuum Society

  7. Distribution of {sup 129}I in terrestrial surface water environments

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xuegao [State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, Hohai University, Nanjing 210098 (China); College of Hydrology and Water Resources, Hohai University, Nanjing (China); Gong, Meng [College of Hydrology and Water Resources, Hohai University, Nanjing (China); Yi, Peng, E-mail: pengyi1915@163.com [State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, Hohai University, Nanjing 210098 (China); College of Hydrology and Water Resources, Hohai University, Nanjing (China); Aldahan, Ala [Department of Earth Sciences, Uppsala University, Uppsala (Sweden); Department of Geology, United Arab Emirates University, Al Ain (United Arab Emirates); Yu, Zhongbo [State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, Hohai University, Nanjing 210098 (China); College of Hydrology and Water Resources, Hohai University, Nanjing (China); Possnert, Göran [Tandem Laboratory, Uppsala University, Uppsala (Sweden); Chen, Li [State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, Hohai University, Nanjing 210098 (China); College of Hydrology and Water Resources, Hohai University, Nanjing (China)

    2015-10-15

    The global distribution of the radioactive isotope iodine-129 in surface waters (lakes and rivers) is presented here and compared with the atmospheric deposition and distribution in surface marine waters. The results indicate relatively high concentrations in surface water systems in close vicinity of the anthropogenic release sources as well as in parts of Western Europe, North America and Central Asia. {sup 129}I level is generally higher in the terrestrial surface water of the Northern hemisphere compared to the southern hemisphere. The highest values of {sup 129}I appear around 50°N and 40°S in the northern and southern hemisphere, separately. Direct gaseous and marine atmospheric emissions are the most likely avenues for the transport of {sup 129}I from the sources to the terrestrial surface waters. To apply iodine-129 as process tracer in terrestrial surface water environment, more data are needed on {sup 129}I distribution patterns both locally and globally.

  8. Double differential distributions of electron emission in ion-atom and electron-atom collisions using an electron spectrometer

    International Nuclear Information System (INIS)

    Misra, Deepankar; Thulasiram, K.V.; Fernandes, W.; Kelkar, Aditya H.; Kadhane, U.; Kumar, Ajay; Singh, Yeshpal; Gulyas, L.; Tribedi, Lokesh C.

    2009-01-01

    We study electron emission from atoms and molecules in collisions with fast electrons and heavy ions (C 6+ ). The soft collision electrons (SE), two center electron emission (TCEE), the binary encounter (BE) events and the KLL Auger lines along with the elastically scattered peaks (in electron collisions) are studied using a hemispherical electrostatic electron analyzer. The details of the measurements along with description of the spectrometer and data acquisition system are given. The angular distributions of the low energy (few eV) electrons in soft collisions and the binary encounter electrons at keV energies are compared with quantum mechanical models based on the first Born (B1) and the continuum distorted wave-Eikonal initial state approximation (CDW-EIS).

  9. Surface Area Distribution Descriptor for object matching

    Directory of Open Access Journals (Sweden)

    Mohamed F. Gafar

    2010-07-01

    Full Text Available Matching 3D objects by their similarity is a fundamental problem in computer vision, computer graphics and many other fields. The main challenge in object matching is to find a suitable shape representation that can be used to accurately and quickly discriminate between similar and dissimilar shapes. In this paper we present a new volumetric descriptor to represent 3D objects. The proposed descriptor is used to match objects under rigid transformations including uniform scaling. The descriptor represents the object by dividing it into shells, acquiring the area distribution of the object through those shells. The computed areas are normalised to make the descriptor scale-invariant in addition to rotation and translation invariant. The effectiveness and stability of the proposed descriptor to noise and variant sampling density as well as the effectiveness of the similarity measures are analysed and demonstrated through experimental results.

  10. Atomic structure of diamond {111} surfaces etched in oxygen water vapor

    International Nuclear Information System (INIS)

    Theije, F.K. de; Reedijk, M.F.; Arsic, J.; Enckevort, W.J.P. van; Vlieg, E.

    2001-01-01

    The atomic structure of the {111} diamond face after oxygen-water-vapor etching is determined using x-ray scattering. We find that a single dangling bond diamond {111} surface model, terminated by a full monolayer of -OH fits our data best. To explain the measurements it is necessary to add an ordered water layer on top of the -OH terminated surface. The vertical contraction of the surface cell and the distance between the oxygen atoms are generally in agreement with model calculations and results on similar systems. The OH termination is likely to be present during etching as well. This model experimentally confirms the atomic-scale mechanism we proposed previously for this etching system

  11. Observation of modified radiative properties of cold atoms in vacuum near a dielectric surface

    International Nuclear Information System (INIS)

    Ivanov, V V; Cornelussen, R A; Heuvell, H B van Linden van den; Spreeuw, R J C

    2004-01-01

    We have observed a distance-dependent absorption linewidth of cold 87 Rb atoms close to a dielectric-vacuum interface. This is the first observation of modified radiative properties in vacuum near a dielectric surface. A cloud of cold atoms was created using a magneto-optical trap (MOT) and optical molasses cooling. Evanescent waves (EW) were used to observe the behaviour of the atoms near the surface. We observed an increase of the absorption linewidth by up to 25% with respect to the free-space value. Approximately half the broadening can be explained by cavity quantum electrodynamics (CQED) as an increase of the natural linewidth and inhomogeneous broadening. The remainder we attribute to local Stark shifts near the surface. By varying the characteristic EW length we have observed a distance dependence characteristic for CQED

  12. Quantum trajectories in elastic atom-surface scattering: threshold and selective adsorption resonances.

    Science.gov (United States)

    Sanz, A S; Miret-Artés, S

    2005-01-01

    The elastic resonant scattering of He atoms off the Cu(117) surface is fully described with the formalism of quantum trajectories provided by Bohmian mechanics. Within this theory of quantum motion, the concept of trapping is widely studied and discussed. Classically, atoms undergo impulsive collisions with the surface, and then the trapped motion takes place covering at least two consecutive unit cells. However, from a Bohmian viewpoint, atom trajectories can smoothly adjust to the equipotential energy surface profile in a sort of sliding motion; thus the trapping process could eventually occur within one single unit cell. In particular, both threshold and selective adsorption resonances are explained by means of this quantum trapping considering different space and time scales. Furthermore, a mapping between each region of the (initial) incoming plane wave and the different parts of the diffraction and resonance patterns can be easily established, an important issue only provided by a quantum trajectory formalism. (c) 2005 American Institute of Physics.

  13. On the Debye-Waller factor in atom-surface scattering

    International Nuclear Information System (INIS)

    Garcia, N.; Maradudin, A.A.; Celli, V.

    1982-01-01

    A theory for the Debye-Waller factor in atom-surface scattering is presented, to lowest order in the phonon contributions. Multiple-scattering effects as well as the cross-correlated surface atom displacements are included. The theory accounts for experimental data without the necessity of introducing the Armand effect, which is due to the finite size of the incident atom. The work presented here implies that the Kirchhoff approximation fails when the energy of the incident particle is in the energy range of the phonon spectrum. The results of the calculation are presented in the high-temperature limit, and it is observed that the Rayleigh surface phonons contribute three-quarters of the Debye-Waller factor, while the bulk phonons account for the rest. This result is interesting because the calculation of the former contribution is simpler than that of the latter. (author)

  14. Grazing incidence collisions of ions and atoms with surfaces: from charge exchange to atomic diffraction; Collisions rasantes d'ions ou d'atomes sur les surfaces: de l'echange de charge a la diffraction atomique

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, P

    2006-09-15

    This thesis reports two studies about the interaction with insulating surfaces of keV ions or atoms under grazing incidence. The first part presents a study of charge exchange processes occurring during the interaction of singly charged ions with the surface of NaCl. In particular, by measuring the scattered charge fraction and the energy loss in coincidence with electron emission, the neutralization mechanism is determined for S{sup +}, C{sup +}, Xe{sup +}, H{sup +}, O{sup +}, Kr{sup +}, N{sup +}, Ar{sup +}, F{sup +}, Ne{sup +} and He{sup +}. These results show the importance of the double electron capture as neutralization process for ions having too much potential energy for resonant capture and not enough for Auger neutralization. We have also studied the ionisation of the projectile and of the surface, and the different Auger-like neutralization processes resulting in electron emission, population of conduction band or excited state. For oxygen scattering, we have measured an higher electron yield in coincidence with scattered negative ion than with scattered atom suggesting the transient formation above the surface of the oxygen doubly negative ion. The second study deals with the fast atom diffraction, a new phenomenon observed for the first time during this work. Due to the large parallel velocity, the surface appears as a corrugated wall where rows interfere. Similarly to the Thermal Atom Scattering the diffraction pattern corresponds to the surface potential and is sensitive to vibrations. We have study the H-NaCl and He-LiF atom-surface potentials in the 20 meV - 1 eV range. This new method offers interesting perspectives for surface characterisation. (author)

  15. Distribution of radiation lifetime and oscillator strengths in atomic and ion spectra

    Energy Technology Data Exchange (ETDEWEB)

    Shabanova, L.N.; Gruzdev, P.F.; Verolajnen, Ya.F. (Leningradskij Gosudarstvennyj Univ. (USSR). Nauchno-Issledovatel' skij Fizicheskij Inst.)

    1984-04-01

    Analysis of present experimental and theoretical data on determination of radiation life time and forces of oscillators for disclosing general regularities inherent in radiation constants inside the atom, homologous atoms inside subgroups of atoms and ions of isoelectronic subsequences is conducted. Another purpose is to chose most reliable values of constants and to obtain extrapolation formulae for their determination on the base of the corresponding statistical processing data and revealed regularities. A hydrogen atom, isoelectronic series NaI-Ni18, isoelectronic series Ne, He, ZnI, CdI are considered. Systematics of radiation life time depending on the basic quantum number is presented. The force of oscillators f is considered on the example of an atomic system with one valent electron outside the locked shell - Li, Na, K, Rb, Cs. Distribution of force density of the oscillator df/dE is considered, here continuous spectrum near the threshold of ionization is regarded simultaneously with discrete spectrum. An interpolation formula for the number f for high members of atom series (n>=10) of alkaline metals is presented. Values of coefficients included in this formula are tabulated.

  16. Atomic Step Formation on Sapphire Surface in Ultra-precision Manufacturing

    Science.gov (United States)

    Wang, Rongrong; Guo, Dan; Xie, Guoxin; Pan, Guoshun

    2016-01-01

    Surfaces with controlled atomic step structures as substrates are highly relevant to desirable performances of materials grown on them, such as light emitting diode (LED) epitaxial layers, nanotubes and nanoribbons. However, very limited attention has been paid to the step formation in manufacturing process. In the present work, investigations have been conducted into this step formation mechanism on the sapphire c (0001) surface by using both experiments and simulations. The step evolutions at different stages in the polishing process were investigated with atomic force microscopy (AFM) and high resolution transmission electron microscopy (HRTEM). The simulation of idealized steps was constructed theoretically on the basis of experimental results. It was found that (1) the subtle atomic structures (e.g., steps with different sawteeth, as well as steps with straight and zigzag edges), (2) the periodicity and (3) the degree of order of the steps were all dependent on surface composition and miscut direction (step edge direction). A comparison between experimental results and idealized step models of different surface compositions has been made. It has been found that the structure on the polished surface was in accordance with some surface compositions (the model of single-atom steps: Al steps or O steps). PMID:27444267

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-28

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

  18. Surface adhesion properties of graphene and graphene oxide studied by colloid-probe atomic force microscopy

    International Nuclear Information System (INIS)

    Ding Yanhuai; Zhang Ping; Ren Huming; Zhuo Qin; Yang Zhongmei; Jiang Xu; Jiang Yong

    2011-01-01

    Surface adhesion properties are important to various applications of graphene-based materials. Atomic force microscopy is powerful to study the adhesion properties of samples by measuring the forces on the colloidal sphere tip as it approaches and retracts from the surface. In this paper we have measured the adhesion force between the colloid probe and the surface of graphene (graphene oxide) nanosheet. The results revealed that the adhesion force on graphene and graphene oxide surface were 66.3 and 170.6 nN, respectively. It was found the adhesion force was mainly determined by the water meniscus, which was related to the surface contact angle of samples.

  19. Surface coverage of Pt atoms on PtCo nanoparticles and catalytic kinetics for oxygen reduction

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Rongzhong, E-mail: rongzhong.jiang@us.army.mi [Sensors and Electron Devices Directorate, U.S. Army Research Laboratory, 2800 Powder Mill Road, Adelphi, MD 20783-1197 (United States); Rong, Charles; Chu, Deryn [Sensors and Electron Devices Directorate, U.S. Army Research Laboratory, 2800 Powder Mill Road, Adelphi, MD 20783-1197 (United States)

    2011-02-01

    The surface coverage of Pt atoms on PtCo nanoparticles and its effect on catalytic kinetics for oxygen reduction were investigated. The PtCo nanoparticles with different surface coverage of Pt atoms were synthesized with various methods, including normal chemical method, microemulsion synthesis, and ultrasound-assisted microemulsion. A model of Pt atoms filling into a spherical nanoparticle was proposed to explain the relationship of surface metal atoms and nanoparticle size. The catalytic activity of the PtCo nano-particles is highly dependent on the synthetic methods, even if they have the same chemical composition. The PtCo nano-particles synthesized with ultrasound-assisted microemulsion showed the highest activity, which is attributed to an increase of active surface coverage of Pt atoms on the metal nanoparticles. The rate of oxygen reduction at 0.5 V (vs. SCE) catalyzed by the PtCo synthesized with ultrasound-assisted micro-emulsion was about four times higher than that of the PtCo synthesized with normal chemical method. As demonstrated with rotating-ring disk electrode measurement, the PtCo nano-particles can catalyze oxygen 4-electron reduction to water without intermediate H{sub 2}O{sub 2} detected.

  20. The kinetics of formation and transformation of silver atoms on solid surfaces subjected to ionizing irradiation

    International Nuclear Information System (INIS)

    Popovich, G.M.

    1988-01-01

    The paper discusses the results obtained in ESR-assisted studies of the kinetics of formation and transformation of silver atoms generated by γ-irradiation of silver-containing carriers. Three types of dependences have been established: (1) extreme; (2) saturation curves and (3) step-like. All the kinetic curves display, after a definite period of time, stable concentrations of adsorbed silver atoms per unit of the surface at a given temperature. Depending on the temperature of the experiment, the composition and nature of the carrier, the number of adsorbed silver ions, the irradiation dose and conditions of the experiment, a stable concentration of silver atoms at a given temperature may be equal to, higher or lower than the number of silver atoms measured immediately after γ-irradiation at a temperature of liquid nitrogen. A kinetic scheme is proposed to explain the obtained curves. The model suggests that the silver atoms adsorbed on the surface, as well as those formed after γ-irradiation, are bonded to the surface by various energies, which are related to heterogeneity of the carrier surface. (author)

  1. Momentum distributions of selected rare-gas atoms probed by intense femtosecond laser pulses

    DEFF Research Database (Denmark)

    Abu-Samha, Mahmoud; Madsen, Lars Bojer

    2011-01-01

    We provide a direct comparison between numerical and experimental (Rudenko et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 L407) photoelectron momentum distributions in strong-field ionization of selected rare-gas atoms (He, Ne and Ar), probed by femtosecond linearly polarized laser pulses. The cal......We provide a direct comparison between numerical and experimental (Rudenko et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 L407) photoelectron momentum distributions in strong-field ionization of selected rare-gas atoms (He, Ne and Ar), probed by femtosecond linearly polarized laser pulses....... The calculations are performed by solving the time-dependent Schrödinger equation within the single-active-electron approximation, and focal-volume effects are taken into account by appropriately averaging the results. The resulting momentum distributions are in quantitative agreement with the experimental...

  2. The time-energy distribution of atoms in a radiation damage cascade

    International Nuclear Information System (INIS)

    Williams, M.M.R.

    1976-01-01

    The time-energy distribution of atoms in a cascade induced by a primary knock-on is obtained by solving the Boltzmann equation. A more general scattering law is used than has hitherto been possible which is based upon a rational approximation to the Thomas-Fermi model of atomic scattering. The virtue of this scheme is that it remains possible to obtain an exact, closed form solution but allows a more realistic description of the scattering process. Time moments of the distribution are obtained from which the slowing down time and associated variance can be calculated. It is shown that the complete time-energy distribution may be reconstructed from the moments. (author)

  3. The surface chemistry of divalent metal carbonate minerals; a critical assessment of surface charge and potential data using the charge distribution multi-site ion complexation model

    NARCIS (Netherlands)

    Wolthers, M.; Charlet, L.; Van Cappellen, P.

    2008-01-01

    The Charge Distribution MUltiSite Ion Complexation or CD–MUSIC modeling approach is used to describe the chemical structure of carbonate mineralaqueous solution interfaces. The new model extends existing surface complexation models of carbonate minerals, by including atomic scale information on

  4. Au nanowire junction breakup through surface atom diffusion

    Science.gov (United States)

    Vigonski, Simon; Jansson, Ville; Vlassov, Sergei; Polyakov, Boris; Baibuz, Ekaterina; Oras, Sven; Aabloo, Alvo; Djurabekova, Flyura; Zadin, Vahur

    2018-01-01

    Metallic nanowires are known to break into shorter fragments due to the Rayleigh instability mechanism. This process is strongly accelerated at elevated temperatures and can completely hinder the functioning of nanowire-based devices like e.g. transparent conductive and flexible coatings. At the same time, arranged gold nanodots have important applications in electrochemical sensors. In this paper we perform a series of annealing experiments of gold and silver nanowires and nanowire junctions at fixed temperatures 473, 673, 873 and 973 K (200 °C, 400 °C, 600 °C and 700 °C) during a time period of 10 min. We show that nanowires are especially prone to fragmentation around junctions and crossing points even at comparatively low temperatures. The fragmentation process is highly temperature dependent and the junction region breaks up at a lower temperature than a single nanowire. We develop a gold parametrization for kinetic Monte Carlo simulations and demonstrate the surface diffusion origin of the nanowire junction fragmentation. We show that nanowire fragmentation starts at the junctions with high reliability and propose that aligning nanowires in a regular grid could be used as a technique for fabricating arrays of nanodots.

  5. Single OR molecule and OR atomic circuit logic gates interconnected on a Si(100)H surface

    International Nuclear Information System (INIS)

    Ample, F; Joachim, C; Duchemin, I; Hliwa, M

    2011-01-01

    Electron transport calculations were carried out for three terminal OR logic gates constructed either with a single molecule or with a surface dangling bond circuit interconnected on a Si(100)H surface. The corresponding multi-electrode multi-channel scattering matrix (where the central three terminal junction OR gate is the scattering center) was calculated, taking into account the electronic structure of the supporting Si(100)H surface, the metallic interconnection nano-pads, the surface atomic wires and the molecule. Well interconnected, an optimized OR molecule can only run at a maximum of 10 nA output current intensity for a 0.5 V bias voltage. For the same voltage and with no molecule in the circuit, the output current of an OR surface atomic scale circuit can reach 4 μA.

  6. Resonant coherent ionization in grazing ion/atom-surface collisions at high velocities

    Energy Technology Data Exchange (ETDEWEB)

    Garcia de Abajo, F J [Dept. de Ciencias de la Computacion e Inteligencia Artificial, Facultad de Informatica, Univ. del Pais Vasco, San Sebastian (Spain); Pitarke, J M [Materia Kondentsatuaren Fisika Saila, Zientzi Fakultatea, Euskal Herriko Univ., Bilbo (Spain)

    1994-05-01

    The resonant coherent interaction of a fast ion/atom with an oriented crystal surface under grazing incidence conditions is shown to contribute significantly to ionize the probe for high enough velocities and motion along a random direction. The dependence of this process on both the distance to the surface and the velocity of the projectile is studied in detail. We focus on the case of hydrogen moving with a velocity above 2 a.u. Comparison with other mechanisms of charge transfer, such as capture from inner shells of the target atoms, permits us to draw some conclusions about the charge state of the outgoing projectiles. (orig.)

  7. SASP. Contributions to the 13. Symposium on atomic and surface physics and related topics

    International Nuclear Information System (INIS)

    Scheier, P.; Maerk, T.

    2002-01-01

    The XIII symposium on Atomic and Surface Physics and related Topics (SASP) is devoted to cover the research of interactions between ions, electrons, photons, atoms, molecules and clusters and their interaction with surfaces. This year there was a special session dedicated to proton transfer reaction mass spectrometry covering its applications in different fields and a mini symposium on the radiation action on bio-molecules such as uracil. The contributions included in the proceeding correspond to invited lectures and poster sessions, consisting of short and extended abstracts as well as short articles. (nevyjel)

  8. SASP. Contributions to the 13. Symposium on atomic and surface physics and related topics

    Energy Technology Data Exchange (ETDEWEB)

    Scheier, P; Maerk, T [eds.

    2002-07-01

    The XIII symposium on Atomic and Surface Physics and related Topics (SASP) is devoted to cover the research of interactions between ions, electrons, photons, atoms, molecules and clusters and their interaction with surfaces. This year there was a special session dedicated to proton transfer reaction mass spectrometry covering its applications in different fields and a mini symposium on the radiation action on bio-molecules such as uracil. The contributions included in the proceeding correspond to invited lectures and poster sessions, consisting of short and extended abstracts as well as short articles. (nevyjel)

  9. Resonant coherent ionization in grazing ion/atom-surface collisions at high velocities

    International Nuclear Information System (INIS)

    Garcia de Abajo, F.J.; Pitarke, J.M.

    1994-01-01

    The resonant coherent interaction of a fast ion/atom with an oriented crystal surface under grazing incidence conditions is shown to contribute significantly to ionize the probe for high enough velocities and motion along a random direction. The dependence of this process on both the distance to the surface and the velocity of the projectile is studied in detail. We focus on the case of hydrogen moving with a velocity above 2 a.u. Comparison with other mechanisms of charge transfer, such as capture from inner shells of the target atoms, permits us to draw some conclusions about the charge state of the outgoing projectiles. (orig.)

  10. Interaction of slow and highly charged ions with surfaces: formation of hollow atoms

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N; Grether, M; Spieler, A; Niemann, D [Hahn-Meitner Institut, Berlin (Germany). Bereich Festkoerperphysik; Arnau, A

    1997-03-01

    The method of Auger spectroscopy was used to study the interaction of highly charged ions with Al and C surfaces. The formation of hollow Ne atoms in the first surface layers was evaluated by means of a Density Functional theory including non-linear screening effects. The time-dependent filling of the hollow atom was determined from a cascade model yielding information about the structure of the K-Auger spectra. Variation of total intensities of the L- and K-Auger peaks were interpreted by the cascade model in terms of attenuation effects on the electrons in the solid. (author)

  11. Thermal stability studies on atomically clean and sulphur passivated InGaAs surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Lalit; Hughes, Greg [School of Physical Sciences, Dublin City University, Glasnevin, Dublin 9 (Ireland)

    2013-03-15

    High resolution synchrotron radiation core level photoemission measurements have been used to study the high temperature stability of sulphur passivated InGaAs surfaces and comparisons made with atomically clean surfaces subjected to the same annealing temperatures. Sulphur passivation of clean InGaAs surfaces prepared by the thermal removal of an arsenic capping layer was carried out using an in situ molecular sulphur treatment in ultra high vacuum. The elemental composition of the surfaces of these materials was measured at a series of annealing temperatures up to 530 C. Following a 480 C anneal In:Ga ratio was found to have dropped by 33% on sulphur passivated surface indicating a significant loss of indium, while no drop in indium signal was recorded at this temperature on the atomically InGaAs surface. No significant change in the As surface concentration was measured at this temperature. These results reflect the reduced thermal stability of the sulphur passivated InGaAs compared to the atomically clean surface which has implications for device fabrication. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. A study of atomic distribution in the intermetallic compound by AP-FIM

    International Nuclear Information System (INIS)

    Ren, D.G.

    1993-01-01

    This paper reports a study of the atomic distributions in the intermetallic compound by field ion microscope and atom probe (AP-FIM). The samples used in this work had nearly stoichiometry composition of Ni 3 Al with boron and without boron. The samples of TiAl also had nearly stoichiometry composition and adding Zr and Mn. The field ion image of Ni 3 Al without boron displays essentially the ordered f.c.c. crystal structure (Ll 2 ) with the center of (001) face. The field ion image of B-doped Ni 3 Al shows that the extent of ordering is reduced by addition of boron. The results of AP analysis show that the distribution of boron atom in Ni 3 Al is approximately homogeneous for the low boron contents. The atomic arrangements of Ni and Al in Ni 3 Al crystal lattice were changed by addition of boron. It is shown in the probability of consecutive evaporative sequence Al-Al and Ni-Ni is increased with B-doping. The field ion image of TiAl shows two regions with ordered f.c.t crystal structure (r-TiAl) and disordered. The distributions of Ti and Al atoms in the TiAl alloy show that the structure of a lamellar mixture were confirmed by AP profiles. The results of AP analysis show that distributions of Ti, Al, Mn and Zr in the alloy essentially is homogeneous. The results of AP analysis also exhibit that the interface of an oxide exists in the alloys. These interfaces of oxides consist of TiO and AlO in the TiAl, NiO in the Ni 3 Al. The broadness of the oxides interface were estimated about 8-10nm

  13. Population distribution of atomic uranium in the afterglow of a pulsed hollow-cathode discharge

    International Nuclear Information System (INIS)

    Demers, Yves; Gagne, J.-M.; Pianarosa, Piero

    1987-01-01

    From laser absorption measurements we have deduced the time evolution of the population distribution of atomic uranium in the afterglow of a pulsed hollow-cathode type discharge. The vapour generator operates with xenon as the discharge sustaining gas at a pressure of 280 Pa (2.1 Torr). The current pulse characteristics are width 250 μs and height 1.5 A. The pulse repetition frequency is 100 Hz. It is shown that the populations in the three metastable levels at 6249, 3868 and 3800 cm -1 decrease almost exponentially in a time interval between 150 and 300 μs. From 400 μs onwards in the afterglow, the atom population is essentially shared between the ground and the first metastable (620 cm -1 ) levels. Furthermore, starting from 9 ms in the afterglow more than 80% of the U atoms are found in the ground level. (author)

  14. Damage at a tungsten surface induced by impacts of self-atoms

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yong [Data Center for High Energy Density Physics, Institute of Applied Physics and, Computational Mathematics, P. O. Box 8009, Beijing 100088 (China); Krstic, Predrag, E-mail: predrag.krstic@stonybrook.edu [Institute for Advanced Computational Science, Stony Brook University, Stony Brook, NY 11794-5250 (United States); Zhou, Fu Yang [College of Material Sciences and Optoelectronic Technology, University of the Chinese Academy of Sciences, P. O. Box 4588, Beijing 100049 (China); Meyer, Fred [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6372 (United States)

    2015-12-15

    We study evolution of the surface defects of a 300 K tungsten surface due to the cumulative impact of 0.25–10 keV self-atoms. The simulation is performed by molecular dynamics with bond-order Tersoff-form potentials. At all studied impact energies the computation shows strong defect-recombination effect of both created Frenkel pairs as well as recombination of the implanted atoms with the vacancies created by the sputtering. This leads to a saturation of the cumulative count of vacancies, evident at energies below 2 keV, as long as the implantation per impact atom exceeds sputtering and to a saturation of the interstitial count when production of the sputtered particles per impact atom becomes larger than 1 (in the energy range 2-4 keV). The number of cumulative defects is fitted as functions of impact fluence and energy, enabling their analytical extrapolation outside the studied range of parameters. - Highlights: • We calculated cumulative creation of defects in tungsten by self-atom impact. • At some energies, the defect count saturate with increasing damage dose. • The defects are accumulated in the first few layers of the tungsten surface. • The interstitials are formed predominantly as adatoms.

  15. Theory of phonon inelastic atom--surface scattering. I. Quantum mechanical treatment of collision dynamics

    International Nuclear Information System (INIS)

    Choi, B.H.; Poe, R.T.

    1985-01-01

    We present a systematic formulation of the atom--surface scattering dynamics which includes the vibrational states of the atoms in the solid (phonons). The properties of the total scattering wave function of the system, a representation of the interaction potential matrix, and the characteristics of the independent physical solutions are all derived from the translational invariance of the full Hamiltonian. The scattering equations in the integral forms as well as the related Green functions were also obtained. The configurational representations of the Green functions, in particular, are quite different from those of the conventional scattering theory where the collision partners are spatially localized. Various versions of the integral expression of scattering, transition, and reactance matrices were also obtained. They are useful for introducing approximation schemes. From the present formulation, some specific theoretical schemes which are more realistic compared to those that have been employed so far and at the same time capable of yielding effective ab initio computation are derived in the following paper. The time reversal invariance and the microscopic reversibility of the atom--surface scattering were discussed. The relations between the in and outgoing scattering wave functions which are satisfied in the atom--surface system and important in the transition matrix methods were presented. The phonon annihilation and creation, and the adsorption and desorption of the atom are related through the time reversal invariance, and thus the microscopic reversibility can be tested by the experiment

  16. Atomic-layer-resolved analysis of surface magnetism by diffraction spectroscopy

    International Nuclear Information System (INIS)

    Matsui, Fumihiko; Matsushita, Tomohiro; Daimon, Hiroshi

    2010-01-01

    X-ray absorption near edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) measurements by Auger-electron-yield detection are powerful analysis tools for the electronic and magnetic structures of surfaces, but all the information from atoms within the electron mean-free-path range is summed into the obtained spectrum. In order to investigate the electronic and magnetic structures of each atomic layer at subsurface, we have proposed a new method, diffraction spectroscopy, which is the combination of X-ray absorption spectroscopy and Auger electron diffraction (AED). From a series of measured thickness dependent AED patterns, we deduced a set of atomic-layer-specific AED patterns arithmetically. Based on these AED patterns, we succeeded in disentangling obtained XANES and XMCD spectra into those from different atomic layers.

  17. Raman-atomic force microscopy of the ommatidial surfaces of Dipteran compound eyes

    Science.gov (United States)

    Anderson, Mark S.; Gaimari, Stephen D.

    2003-01-01

    The ommatidial lens surfaces of the compound eyes in several species of files (Insecta: Diptera) and a related order (Mecoptera) were analyzed using a recently developed Raman-atomic force microscope. We demonstrate in this work that the atomic force microscope (AFM) is a potentially useful instrument for gathering phylogenetic data and that the newly developed Raman-AFM may extend this application by revealing nanometer-scale surface chemistry. This is the first demonstration of apertureless near-field Raman spectroscopy on an intact biological surface. For Chrysopilus testaceipes Bigot (Rhagionidae), this reveals unique cerebral cortex-like surface ridges with periodic variation in height and surface chemistry. Most other Brachyceran flies, and the "Nematoceran" Sylvicola fenestralis (Scopoli) (Anisopodidae), displayed the same morphology, while other taxa displayed various other characteristics, such as a nodule-like (Tipula (Triplicitipula) sp. (Tipulidae)) or coalescing nodule-like (Tabanus punctifer Osten Sacken (Tabanidae)) morphology, a smooth morphology with distinct pits and grooves (Dilophus orbatus (Say) (Bibionidae)), or an entirely smooth surface (Bittacus chlorostigma MacLachlan (Mecoptera: Bittacidae)). The variation in submicrometer structure and surface chemistry provides a new information source of potential phylogenetic importance, suggesting the Raman-atomic force microscope could provide a new tool useful to systematic and evolutionary inquiry.

  18. Evaluation of the roughness of the surface of porcelain systems with the atomic force microscope

    International Nuclear Information System (INIS)

    Chavarria Rodriguez, Bernal

    2013-01-01

    The surface of a dental ceramic was evaluated and compared with an atomic force microscope after being treated with different systems of polishing. 14 identical ceramic Lava® Zirconia discs were used to test the different polishing systems. 3 polishing systems from different matrix houses were used to polish dental porcelain. The samples were evaluated quantitatively with an atomic force microscope in order to study the real effectiveness of each system, on the roughness average (Ra) and the maximum peak to valley roughness (Ry) of the ceramic surfaces. A considerable reduction of the surface roughness was obtained by applying different polishing systems on the surface of dental ceramics. Very reliable values of Ra and Ry were obtained by making measurements on the structure reproduced by the atomic force microscope. The advanced ceramics of zirconium oxide presented the best physical characteristics and low levels of surface roughness. A smoother surface was achieved with the application of polishing systems, thus demonstrating the reduction of the surface roughness of a dental ceramic [es

  19. Evolution of atomic-scale surface structures during ion bombardment: A fractal simulation

    International Nuclear Information System (INIS)

    Shaheen, M.A.; Ruzic, D.N.

    1993-01-01

    Surfaces of interest in microelectronics have been shown to exhibit fractal topographies on the atomic scale. A model utilizing self-similar fractals to simulate surface roughness has been added to the ion bombardment code TRIM. The model has successfully predicted experimental sputtering yields of low energy (less then 1000 eV) Ar on Si and D on C using experimentally determined fractal dimensions. Under ion bombardment the fractal surface structures evolve as the atoms in the collision cascade are displaced or sputtered. These atoms have been tracked and the evolution of the surface in steps of one monolayer of flux has been determined. The Ar--Si system has been studied for incidence energies of 100 and 500 eV, and incidence angles of 0 degree, 30 degree, and 60 degree. As expected, normally incident ion bombardment tends to reduce the roughness of the surface, whereas large angle ion bombardment increases the degree of surface roughness. Of particular interest though, the surfaces are still locally self-similar fractals after ion bombardment and a steady state fractal dimension is reached, except at large angles of incidence

  20. Track sensitivity and the surface roughness measurements of CR-39 with atomic force microscope

    CERN Document Server

    Yasuda, N; Amemiya, K; Takahashi, H; Kyan, A; Ogura, K

    1999-01-01

    Atomic Force Microscope (AFM) has been applied to evaluate the surface roughness and the track sensitivity of CR-39 track detector. We experimentally confirmed the inverse correlation between the track sensitivity and the roughness of the detector surface after etching. The surface of CR-39 (CR-39 doped with antioxidant (HARZLAS (TD-1)) and copolymer of CR-39/NIPAAm (TNF-1)) with high sensitivity becomes rough by the etching, while the pure CR-39 (BARYOTRAK) with low sensitivity keeps its original surface clarity even for the long etching.

  1. Improvement and protection of niobium surface superconductivity by atomic layer deposition and heat treatment

    Energy Technology Data Exchange (ETDEWEB)

    Proslier, T.; /IIT, Chicago /Argonne; Zasadzinski, J.; /IIT, Chicago; Moore, J.; Pellin, M.; Elam, J.; /Argonne; Cooley, L.; /Fermilab; Antoine, C.; /Saclay

    2008-11-01

    A method to treat the surface of Nb is described, which potentially can improve the performance of superconducting rf cavities. We present tunneling and x-ray photoemission spectroscopy measurements at the surface of cavity-grade niobium samples coated with a 3 nm alumina overlayer deposited by atomic layer deposition. The coated samples baked in ultrahigh vacuum at low temperature degraded superconducting surface. However, at temperatures above 450 C, the tunneling conductance curves show significant improvements in the superconducting density of states compared with untreated surfaces.

  2. Surface features on Sahara soil dust particles made visible by atomic force microscope (AFM phase images

    Directory of Open Access Journals (Sweden)

    M. O. Andreae

    2008-10-01

    Full Text Available We show that atomic force microscopy (AFM phase images can reveal surface features of soil dust particles, which are not evident using other microscopic methods. The non-contact AFM method is able to resolve topographical structures in the nanometer range as well as to uncover repulsive atomic forces and attractive van der Waals' forces, and thus gives insight to surface properties. Though the method does not allow quantitative assignment in terms of chemical compound description, it clearly shows deposits of distinguishable material on the surface. We apply this technique to dust aerosol particles from the Sahara collected over the Atlantic Ocean and describe micro-features on the surfaces of such particles.

  3. Theoretical atomic-force-microscopy study of a stepped surface: Nonlocal effects in the probe

    International Nuclear Information System (INIS)

    Girard, C.

    1991-01-01

    The interaction force between a metallic tip and a nonplanar dielectric surface is derived from a nonlocal formalism. A general formulation is given for the case of a spherical tip of nanometer size and for surfaces of arbitrary shapes (stepped surfaces and single crystals adsorbed on a planar surface). The dispersion part of the attractive force is obtained from a nonlocal theory expressed in terms of generalized electric susceptibilities of the two constituents. Implications for atomic force microscopy in attractive modes are discussed. In this context, the present model indicates two different forms of corrugation: those due to the protuberance present on the tip leading to atomic corrugations; nanometer-sized corrugations detected in the attractive region by the spherical part of the tip

  4. Atomic interactions at the (100) diamond surface and the impact of surface and interface changes on the electronic transport properties

    Science.gov (United States)

    Deferme, Wim

    Centuries and centuries already, diamond is a material that speaks to ones imagination. Till the 18th century it was only mined in India, after it was also found in Brazil and South-Africa. But along the fascinating properties of diamond, it is also a very interesting material for industry. After the discovery at the end of the 18th century that diamond consists of carbon, it took until the 50's of the previous century before research groups from Russia, Japan and the USA were able to reproduce the growth process of diamond. In 1989 it was discovered that the surface of intrinsic, insulation diamond can be made conductive by hydrogenating the surface. It was clear that not only hydrogen at the surface but also the so called "adsorbates" were responsible for this conductivity. It was still not completely clear what was the influence of other species (like oxygen) on the mechanism of surface conductivity and therefore in this thesis the influence of oxygen on the electronic transport properties of atomically flat diamond are researched. Besides the growth of atomically flat diamond with the use of CVD (chemical vapour deposition) en the study of the grown surfaces with characterising techniques such as AFM (atomic force microscopy) and STM (scanning tunnelling microscopy), the study of the surface treatment with plasma techniques is the main topic of this thesis. The influence of oxygen on the surface conductivity is studied and with the ToF (Time-of-Flight) technique the transport properties of the freestanding diamond are examined. With a short laserflash, electrons and holes are created at the diamond/aluminium interface and due to an electric field (up to 500V) the charge carriers are translated to the back contact. In this way the influence of the surface and the changes at the aluminum contacts is studied leading to very interesting results.

  5. Quantum theory of atom-surface scattering: exact solutions and evaluation of approximations

    International Nuclear Information System (INIS)

    Chiroli, C.; Levi, A.C.

    1976-01-01

    In a recent article a hard corrugated surface was proposed as a simple model for atom-surface scattering. The problem was not solved exactly, however, but several alternative approximations were considered. Since these three similar, but inequivalent, approximations were proposed, the problem arose to evaluate these approximations in order to choose between them. In the present letter some exact calculations are presented which make this choice rationally possible. (Auth.)

  6. Reversible electrochemical modification of the surface of a semiconductor by an atomic-force microscope probe

    Energy Technology Data Exchange (ETDEWEB)

    Kozhukhov, A. S., E-mail: antonkozhukhov@yandex.ru; Sheglov, D. V.; Latyshev, A. V. [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation)

    2017-04-15

    A technique for reversible surface modification with an atomic-force-microscope (AFM) probe is suggested. In this method, no significant mechanical or topographic changes occur upon a local variation in the surface potential of a sample under the AFM probe. The method allows a controlled relative change in the ohmic resistance of a channel in a Hall bridge within the range 20–25%.

  7. Behaviour of oxygen atoms near the surface of nanostructured Nb2O5

    International Nuclear Information System (INIS)

    Cvelbar, U; Mozetic, M

    2007-01-01

    Recombination of neutral oxygen atoms on oxidized niobium foil was studied. Three sets of samples have been prepared: a set of niobium foils with a film of polycrystalline niobium oxide with a thickness of 40 nm, another one with a film thickness of about 2 μm and a set of foils covered with dense bundles of single-crystal Nb 2 O 3 nanowires. All the samples were prepared by oxidation of a pure niobium foil. The samples with a thin oxide film were prepared by exposure of as-received foils to a flux of O-atoms, the samples with a thick polycrystalline niobium oxide were prepared by baking the foils in air at a temperature of 800 deg. C, while the samples covered with nanowires were prepared by oxidation in a highly reactive oxygen plasma. The samples were exposed to neutral oxygen atoms from a remote oxygen plasma source. Depending on discharge parameters, the O-atom density in the postglow chamber, as measured with a catalytic probe, was between 5 x 10 20 and 8 x 10 21 m -3 . The O-atom density in the chamber without the samples was found rather independent of the probe position. The presence of the samples caused a decrease in the O-atom density. Depending on the distance from the samples, the O-atom density was decreased up to 5 times. The O-atom density also depended on the surface morphology of the samples. The strongest decrease in the O-atom density was observed with the samples covered with dense bundles of nanowires. The results clearly showed that niobium oxide nanowires exhibit excellent catalytic behaviour for neutral radicals and can be used as catalysts of exhaust radicals found in many applications

  8. Specific features of energy and spatial distribution of primary knocked-out atoms in monocrystals

    International Nuclear Information System (INIS)

    Taratin, A.M.; Vorob'ev, S.A.

    1978-01-01

    By simulation trajectories of 0.2 MeV protons in 1 μm thick Al monocrystal, the energy and spatial distributions of primary atoms knocked out by the protons (PKA) have been studied. Different orientations of the incident beam axis relative to the densely packed direction in the case of ''quasichanneling'' and ''chaotic'' scattering of particles by the crystal have been researched. The depth dependence of the number of generated PKA, their distribution in the plane transverse to the preferred direction, and the energy spectrum of PKA have been obtained. It is shown that the PKA volume density is higher than that obtained using evaluations not accounting for the crystalline structure, and the energy spectrum contains more low energy PKAs. A concept of the cross section of the PKA production on an atomic chain is introduced for ipterpretation of the data obtained

  9. Hydrophilization of Poly(ether ether ketone) Films by Surface-initiated Atom Transfer Radical Polymerization

    DEFF Research Database (Denmark)

    Fristrup, Charlotte Juel; Eskimergen, Rüya; Burkrinsky, J.T.

    2008-01-01

    and confirmed by ATR FTIR, water contact ang;le, and Thermal Gravimetric Analysis (TGA). The surface topography was evaluated by "Atomic Force Microscopy (AFM). X-ray Photoelectron Spectroscopy (XPS) has been used to investigate the degree of functionalization. The performed modification allowed for successful...

  10. On Surface-Initiated Atom Transfer Radical Polymerization Using Diazonium Chemistry To Introduce the Initiator Layer

    DEFF Research Database (Denmark)

    Iruthayaraj, Joseph; Chernyy, Sergey; Lillethorup, Mie

    2011-01-01

    This work features the controllability of surface-initiated atom transfer radical polymerization (SI-ATRP) of methyl methacrylate, initiated by a multilayered 2-bromoisobutyryl moiety formed via diazonium chemistry. The thickness as a function of polymerization time has been studied by varying di...

  11. Surface topography characterization using an atomic force microscope mounted on a coordinate measuring machine

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo; Hansen, H.N; Kofod, N

    1999-01-01

    The paper describes the construction, testing and use of an integrated system for topographic characterization of fine surfaces on parts having relatively big dimensions. An atomic force microscope (AFM) was mounted on a manual three-coordinate measuring machine (CMM) achieving free positioning o...

  12. Polymer coating comprising 2-methoxyethyl acrylate units synthesized by surface-initiated atom transfer radical polymerization

    DEFF Research Database (Denmark)

    2011-01-01

    Source: US2012184029A The present invention relates to preparation of a polymer coating comprising or consisting of polymer chains comprising or consisting of units of 2-methoxyethyl acrylate synthesized by Surface-Initiated Atom Transfer Radical Polymerization (SI ATRP) such as ARGET SI ATRP...

  13. Adsorption and migration of single metal atoms on the calcite (10.4) surface

    International Nuclear Information System (INIS)

    Pinto, H; Haapasilta, V; Lokhandwala, M; Foster, Adam S; Öberg, S

    2017-01-01

    Transition metal atoms are one of the key ingredients in the formation of functional 2D metal organic coordination networks. Additionally, the co-deposition of metal atoms can play an important role in anchoring the molecular structures to the surface at room temperature. To gain control of such processes requires the understanding of adsorption and diffusion properties of the different transition metals on the target surface. Here, we used density functional theory to investigate the adsorption of 3 d (Ti, Cr, Fe, Ni, Cu), 4 d (Zr, Nb, Mo, Pd, Ag) and 5 d (Hf, W, Ir, Pt, Au) transition metal adatoms on the insulating calcite (10.4) surface. We identified the most stable adsorption sites and calculated binding energies and corresponding ground state structures. We find that the preferential adsorption sites are the Ca–Ca bridge sites. Apart from the Cr, Mo, Cu, Ag and Au all the studied metals bind strongly to the calcite surface. The calculated migration barriers for the representative Ag and Fe atoms indicates that the metal adatoms are mobile on the calcite surface at room temperature. Bader analysis suggests that there is no significant charge transfer between the metal adatoms and the calcite surface. (paper)

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

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  15. Atomic force microscopy characterization of the surface wettability of natural fibres

    International Nuclear Information System (INIS)

    Pietak, Alexis; Korte, Sandra; Tan, Emelyn; Downard, Alison; Staiger, Mark P.

    2007-01-01

    Natural fibres represent a readily available source of ecologically friendly and inexpensive reinforcement in composites with degradable thermoplastics, however chemical treatments of fibres are required to prepare feasible composites. It is desirable to characterize the surface wettability of fibres after chemical treatment as the polarity of cellulose-based fibres influences compatibility with a polymer matrix. Assessment of the surface wettability of natural fibres using conventional methods presents a challenge as the surfaces are morphologically and chemically heterogeneous, rough, and can be strongly wicking. In this work it is shown that under atmospheric conditions the adhesion force between an atomic force microscopy (AFM) tip and the fibre surface can estimate the water contact angle and surface wettability of the fibre. AFM adhesion force measurements are suitable for the more difficult surfaces of natural fibres and in addition allow for correlations between microstructural features and surface wettability characteristics

  16. Angular distribution of atoms ejected by laser ablation of different metals

    International Nuclear Information System (INIS)

    Konomi, I.; Motohiro, T.; Asaoka, T.

    2009-01-01

    Angular distributions of 13 different metals ejected by laser ablation using fourth harmonics (wavelength=266 nm) of neodymium doped yttrium aluminum garnet laser and a fluence close to near-threshold value (2.3 J/cm 2 ) have been investigated with a high angular resolution. The angular distribution which is characterized by the exponent n of cos n θ distribution showed very broad range of values between 3 and 24 for different metals. A simple relation that the exponent n is proportional to the square root of particle atomic weight as reported previously has not been observed. Instead, a general trend has been found that the metals with higher sublimation energy such as Ta and Zr show narrower angular distribution than those with lower sublimation energy such as Sn and In. While the sublimation energy of metals has a great influence on the angular distribution of ejected atoms, a simple consideration suggests that their thermal conductivity and specific heat have little effect on it.

  17. Quantitative measurements of ground state atomic oxygen in atmospheric pressure surface micro-discharge array

    Science.gov (United States)

    Li, D.; Kong, M. G.; Britun, N.; Snyders, R.; Leys, C.; Nikiforov, A.

    2017-06-01

    The generation of atomic oxygen in an array of surface micro-discharge, working in atmospheric pressure He/O2 or Ar/O2 mixtures, is investigated. The absolute atomic oxygen density and its temporal and spatial dynamics are studied by means of two-photon absorption laser-induced fluorescence. A high density of atomic oxygen is detected in the He/O2 mixture with up to 10% O2 content in the feed gas, whereas the atomic oxygen concentration in the Ar/O2 mixture stays below the detection limit of 1013 cm-3. The measured O density near the electrode under the optimal conditions in He/1.75% O2 gas is 4.26  ×  1015 cm-3. The existence of the ground state O (2p 4 3 P) species has been proven in the discharge at a distance up to 12 mm away from the electrodes. Dissociative reactions of the singlet O2 with O3 and deep vacuum ultraviolet radiation, including the radiation of excimer \\text{He}2\\ast , are proposed to be responsible for O (2p 4 3 P) production in the far afterglow. A capability of the surface micro-discharge array delivering atomic oxygen to long distances over a large area is considered very interesting for various biomedical applications.

  18. Engineering the Eigenstates of Coupled Spin-1/2 Atoms on a Surface.

    Science.gov (United States)

    Yang, Kai; Bae, Yujeong; Paul, William; Natterer, Fabian D; Willke, Philip; Lado, Jose L; Ferrón, Alejandro; Choi, Taeyoung; Fernández-Rossier, Joaquín; Heinrich, Andreas J; Lutz, Christopher P

    2017-12-01

    Quantum spin networks having engineered geometries and interactions are eagerly pursued for quantum simulation and access to emergent quantum phenomena such as spin liquids. Spin-1/2 centers are particularly desirable, because they readily manifest coherent quantum fluctuations. Here we introduce a controllable spin-1/2 architecture consisting of titanium atoms on a magnesium oxide surface. We tailor the spin interactions by atomic-precision positioning using a scanning tunneling microscope (STM) and subsequently perform electron spin resonance on individual atoms to drive transitions into and out of quantum eigenstates of the coupled-spin system. Interactions between the atoms are mapped over a range of distances extending from highly anisotropic dipole coupling to strong exchange coupling. The local magnetic field of the magnetic STM tip serves to precisely tune the superposition states of a pair of spins. The precise control of the spin-spin interactions and ability to probe the states of the coupled-spin network by addressing individual spins will enable the exploration of quantum many-body systems based on networks of spin-1/2 atoms on surfaces.

  19. Application of the backscattering of an atomic beam of thermal energy to the study of the vibrational properties of metal surfaces

    International Nuclear Information System (INIS)

    Lapujoulade, J.; Lejay, Y.

    1975-01-01

    Vibrational properties of metal surfaces (surface phonons, surface Debye temperatures) are less known than bulk ones since common investigation methods (neutron, X-rays) are not sensitive to surface properties. A study of the backscattering of an atomic beam may give surface specific informations. The backscattering of noble gas (He, Ne, Ar) from a clean copper single crystal ((100) face) was experimentally studied. The experimental set-up allows to measure the space repartition well as the velocity distribution of the scattered atoms. If the collisions is purely elastic an analysis of the thermal dependence of the specular peak by means of the Debye Waller formula will give the mean square displacements of surface atoms. It is shown however that this simple case is not fulfilled with helium in ordinary beam or solid temperatures. If the collision is inelastic, but dominated by single phonon transfers (as it seems to be the case for helium) information should to get about the phonon dispersion relation of surface atoms. When many-phonon collision occur (Ne and Ar) the analysis is more difficult. A comparison of the experimental result with an approximate calculation of G. Armand is given [fr

  20. Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface

    International Nuclear Information System (INIS)

    Jiang, Zhuoling; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2015-01-01

    Inelastic electron tunneling spectroscopy (IETS) of a single hydrogen atom on the Cu(100) surface in a scanning tunneling microscopy (STM) configuration has been investigated by employing the non-equilibrium Green’s function formalism combined with density functional theory. The electron-vibration interaction is treated at the level of lowest order expansion. Our calculations show that the single peak observed in the previous STM-IETS experiments is dominated by the perpendicular mode of the adsorbed H atom, while the parallel one only makes a negligible contribution even when the STM tip is laterally displaced from the top position of the H atom. This propensity of the IETS is deeply rooted in the symmetry of the vibrational modes and the characteristics of the conduction channel of the Cu-H-Cu tunneling junction, which is mainly composed of the 4s and 4p z atomic orbitals of the Cu apex atom and the 1s orbital of the adsorbed H atom. These findings are helpful for deepening our understanding of the propensity rules for IETS and promoting IETS as a more popular spectroscopic tool for molecular devices

  1. Tuning Nanocrystal Surface Depletion by Controlling Dopant Distribution as a Route Toward Enhanced Film Conductivity

    Science.gov (United States)

    Staller, Corey M.; Robinson, Zachary L.; Agrawal, Ankit; Gibbs, Stephen L.; Greenberg, Benjamin L.; Lounis, Sebastien D.; Kortshagen, Uwe R.; Milliron, Delia J.

    2018-05-01

    Electron conduction through bare metal oxide nanocrystal (NC) films is hindered by surface depletion regions resulting from the presence of surface states. We control the radial dopant distribution in tin-doped indium oxide (ITO) NCs as a means to manipulate the NC depletion width. We find in films of ITO NCs of equal overall dopant concentration that those with dopant-enriched surfaces show decreased depletion width and increased conductivity. Variable temperature conductivity data shows electron localization length increases and associated depletion width decreases monotonically with increased density of dopants near the NC surface. We calculate band profiles for NCs of differing radial dopant distributions and, in agreement with variable temperature conductivity fits, find NCs with dopant-enriched surfaces have narrower depletion widths and longer localization lengths than those with dopant-enriched cores. Following amelioration of NC surface depletion by atomic layer deposition of alumina, all films of equal overall dopant concentration have similar conductivity. Variable temperature conductivity measurements on alumina-capped films indicate all films behave as granular metals. Herein, we conclude that dopant-enriched surfaces decrease the near-surface depletion region, which directly increases the electron localization length and conductivity of NC films.

  2. Probing the Surface Charge on the Basal Planes of Kaolinite Particles with High-Resolution Atomic Force Microscopy.

    Science.gov (United States)

    Kumar, N; Andersson, M P; van den Ende, D; Mugele, F; Siretanu, I

    2017-12-19

    High-resolution atomic force microscopy is used to map the surface charge on the basal planes of kaolinite nanoparticles in an ambient solution of variable pH and NaCl or CaCl 2 concentration. Using DLVO theory with charge regulation, we determine from the measured force-distance curves the surface charge distribution on both the silica-like and the gibbsite-like basal plane of the kaolinite particles. We observe that both basal planes do carry charge that varies with pH and salt concentration. The silica facet was found to be negatively charged at pH 4 and above, whereas the gibbsite facet is positively charged at pH below 7 and negatively charged at pH above 7. Investigations in CaCl 2 at pH 6 show that the surface charge on the gibbsite facet increases for concentration up to 10 mM CaCl 2 and starts to decrease upon further increasing the salt concentration to 50 mM. The increase of surface charge at low concentration is explained by Ca 2+ ion adsorption, while Cl - adsorption at higher CaCl 2 concentrations partially neutralizes the surface charge. Atomic resolution imaging and density functional theory calculations corroborate these observations. They show that hydrated Ca 2+ ions can spontaneously adsorb on the gibbsite facet of the kaolinite particle and form ordered surface structures, while at higher concentrations Cl - ions will co-adsorb, thereby changing the observed ordered surface structure.

  3. Distribution and kinematics of atomic and molecular gas inside the solar circle

    Science.gov (United States)

    Marasco, A.; Fraternali, F.; van der Hulst, J. M.; Oosterloo, T.

    2017-11-01

    The detailed distribution and kinematics of the atomic and the CO-bright molecular hydrogen in the disc of the Milky Way inside the solar circle are derived under the assumptions of axisymmetry and pure circular motions. We divide the Galactic disc into a series of rings, and assume that the gas in each ring is described by four parameters: its rotation velocity, velocity dispersion, midplane density and its scale height. We fit these parameters to the Galactic H I and 12CO (J = 1-0) data by producing artificial H I and CO line-profiles and comparing them with the observations. Our approach allows us to fit all parameters to the data simultaneously without assuming a-priori a radial profile for one of the parameters. We present the distribution and kinematics of the H I and H2 in both the approaching (QIV) and the receding (QI) regions of the Galaxy. Our best-fit models reproduces remarkably well the observed H I and CO longitude-velocity diagrams up to a few degrees of distance from the midplane. With the exception of the innermost 2.5 kpc, QI and QIV show very similar kinematics. The rotation curves traced by the H I and H2 follow each other closely, flattening beyond R = 6.5 kpc. Both the H I and the H2 surface densities show a) a deep depression at 0.5 < R < 2.5 kpc, analogous to that shown by some nearby barred galaxies, b) local overdensities that can be interpreted in terms of spiral arms or ring-like features in the disc. The H I (H2) properties are fairly constant in the region outside the depression, with typical velocity dispersion of 8.9 ± 1.1 (4.4 ± 1.2) km s-1, density of 0.43 ± 0.11 (0.42 ± 0.22) cm-3 and HWHM scale height of 202 ± 28 (64 ± 12) pc. We also show that the H I opacity in the LAB data can be accounted for by using an "effective" spin temperature of 150 K: assuming an optically thin regime leads to an underestimate of the H I mass by about 30%.

  4. Preservation of atomically clean silicon surfaces in air by contact bonding

    DEFF Research Database (Denmark)

    Grey, Francois; Ljungberg, Karin

    1997-01-01

    When two hydrogen-passivated silicon surfaces are placed in contact under cleanroom conditions, a weak bond is formed. Cleaving this bond under ultrahigh vacuum (UHV) conditions, and observing the surfaces with low energy electron diffraction and scanning tunneling microscopy, we find that the or...... reconstruction from oxidation in air, Contact bonding opens the way to novel applications of reconstructed semiconductor surfaces, by preserving their atomic structure intact outside of a UHV chamber. (C) 1997 American Institute of Physics.......When two hydrogen-passivated silicon surfaces are placed in contact under cleanroom conditions, a weak bond is formed. Cleaving this bond under ultrahigh vacuum (UHV) conditions, and observing the surfaces with low energy electron diffraction and scanning tunneling microscopy, we find...... that the ordered atomic structure of the surfaces is protected from oxidation, even after the bonded samples have been in air for weeks. Further, we show that silicon surfaces that have been cleaned and hydrogen-passivated in UHV can be contacted in UHV in a similarly hermetic fashion, protecting the surface...

  5. Spatial Distributions of Metal Atoms During Carbon SWNTs Formation: Measurements and Modelling

    Science.gov (United States)

    Cau, M.; Dorval, N.; Attal-Tretout, B.; Cochon, J. L.; Loiseau, A.; Farhat, S.; Hinkov, I.; Scott, C. D.

    2004-01-01

    Experiments and modelling have been undertaken to clarify the role of metal catalysts during single-wall carbon nanotube formation. For instance, we wonder whether the metal catalyst is active as an atom, a cluster, a liquid or solid nanoparticle [1]. A reactor has been developed for synthesis by continuous CO2-laser vaporisation of a carbon-nickel-cobalt target in laminar helium flow. The laser induced fluorescence technique [2] is applied for local probing of gaseous Ni, Co and CZ species throughout the hot carbon flow of the target heated up to 3500 K. A rapid depletion of C2 in contrast to the spatial extent of metal atoms is observed in the plume (Fig. 1). This asserts that C2 condenses earlier than Ni and Co atoms.[3, 4]. The depletion is even faster when catalysts are present. It may indicate that an interaction between metal atoms and carbon dimers takes place in the gas as soon as they are expelled from the target surface. Two methods of modelling are used: a spatially I-D calculation developed originally for the arc process [5], and a zero-D time dependent calculation, solving the chemical kinetics along the streamlines [6]. The latter includes Ni cluster formation. The peak of C2 density is calculated close to the target surface where the temperature is the highest. In the hot region, C; is dominant. As the carbon products move away from the target and mix with the ambient helium, they recombine into larger clusters, as demonstrated by the peak of C5 density around 1 mm. The profile of Ni-atom density compares fairly well with the measured one (Fig. 2). The early increase is due to the drop of temperature, and the final decrease beyond 6 mm results from Ni cluster formation at the eutectic temperature (approx.1600 K).

  6. Surface Phenomena During Plasma-Assisted Atomic Layer Etching of SiO2.

    Science.gov (United States)

    Gasvoda, Ryan J; van de Steeg, Alex W; Bhowmick, Ranadeep; Hudson, Eric A; Agarwal, Sumit

    2017-09-13

    Surface phenomena during atomic layer etching (ALE) of SiO 2 were studied during sequential half-cycles of plasma-assisted fluorocarbon (CF x ) film deposition and Ar plasma activation of the CF x film using in situ surface infrared spectroscopy and ellipsometry. Infrared spectra of the surface after the CF x deposition half-cycle from a C 4 F 8 /Ar plasma show that an atomically thin mixing layer is formed between the deposited CF x layer and the underlying SiO 2 film. Etching during the Ar plasma cycle is activated by Ar + bombardment of the CF x layer, which results in the simultaneous removal of surface CF x and the underlying SiO 2 film. The interfacial mixing layer in ALE is atomically thin due to the low ion energy during CF x deposition, which combined with an ultrathin CF x layer ensures an etch rate of a few monolayers per cycle. In situ ellipsometry shows that for a ∼4 Å thick CF x film, ∼3-4 Å of SiO 2 was etched per cycle. However, during the Ar plasma half-cycle, etching proceeds beyond complete removal of the surface CF x layer as F-containing radicals are slowly released into the plasma from the reactor walls. Buildup of CF x on reactor walls leads to a gradual increase in the etch per cycle.

  7. Magnetic Interaction between Surface-Engineered Rare-Earth Atomic Spins

    Directory of Open Access Journals (Sweden)

    Chiung-Yuan Lin

    2012-06-01

    Full Text Available We report the ab-initio study of rare-earth adatoms (Gd on an insulating surface. This surface is of interest because of previous studies by scanning tunneling microscopy showing spin excitations of transition-metal adatoms. The present work is the first study of rare-earth spin-coupled adatoms, as well as the geometry effect of spin coupling and the underlying mechanism of ferromagnetic coupling. The exchange coupling between Gd atoms on the surface is calculated to be antiferromagnetic in a linear geometry and ferromagnetic in a diagonal geometry. We also find that the Gd dimers in these two geometries are similar to the nearest-neighbor and the next-nearest-neighbor Gd atoms in GdN bulk. We analyze how much direct exchange, superexchange, and Ruderman-Kittel-Kasuya-Yosida interactions contribute to the exchange coupling for both geometries by additional first-principles calculations of related model systems.

  8. Formation of nanostructures on HOPG surface in presence of surfactant atom during low energy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ranjan, M., E-mail: ranjanm@ipr.res.in; Joshi, P.; Mukherjee, S.

    2016-07-15

    Low energy ions beam often develop periodic patterns on surfaces under normal or off-normal incidence. Formation of such periodic patterns depends on the substrate material, the ion beam parameters, and the processing conditions. Processing conditions introduce unwanted contaminant atoms, which also play strong role in pattern formation by changing the effective sputtering yield of the material. In this work we have analysed the effect of Cu, Fe and Al impurities introduced during low energy Ar{sup +} ion irradiation on HOPG substrate. It is observed that by changing the species of foreign atoms the surface topography changes drastically. The observed surface topography is co-related with the modified sputtering yield of HOPG. Presence of Cu and Fe amplify the effective sputtering yield of HOPG, so that the required threshold for the pattern formation is achieved with the given fluence, whereas Al does not lead to any significant change in the effective yield and hence no pattern formation occurs.

  9. Exploring a potential energy surface by machine learning for characterizing atomic transport

    Science.gov (United States)

    Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

    2018-03-01

    We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

  10. Investigation of graphite composite anodes surfaces by atomic force microscopy and related techniques

    Energy Technology Data Exchange (ETDEWEB)

    Hirasawa, Karen Akemi; Nishioka, Keiko; Sato, Tomohiro; Yamaguchi, Shoji; Mori, Shoichiro [Mitsubishi Chemical Corp., Tsukuba Research Center, Ibaraki (Japan)

    1997-11-01

    The surface of a synthetic graphite (KS-44) and polyvinylidene difluoride binder (PVDF) anode for lithium-ion secondary batteries is imaged using atomic force microscopy (AFM) and several related scanning probe microscope (SPM) instruments including: dynamic force microscopy (DFM), friction force microscopy (FFM), laterally-modulated friction force microscopy (LM-FFM), visco-elasticity atomic force microscopy (VE-AFM), and AFM/simultaneous current measurement mode (SCM). DFM is found to be an exceptional mode for topographic imaging while FFM results in the clearest contrast distinction between PVDF binder and KS-44 graphite regions. (orig.)

  11. Reversal of atomic contrast in scanning probe microscopy on (111) metal surfaces

    Czech Academy of Sciences Publication Activity Database

    Ondráček, Martin; González, C.; Jelínek, Pavel

    2012-01-01

    Roč. 24, 08 (2012), 084003/1-084003/7 ISSN 0953-8984 R&D Projects: GA ČR(CZ) GPP204/11/P578; GA ČR GAP204/10/0952; GA ČR GA202/09/0545; GA MŠk(CZ) ME10076 Grant - others:AVČR(CZ) M100100904 Institutional research plan: CEZ:AV0Z10100521 Keywords : atomic force microscopy * metallic surfaces * atomic contrast * scanning tunneling microscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.355, year: 2012 http://iopscience.iop.org/0953-8984/24/8/084003

  12. Atomic-Scale Visualization of Quasiparticle Interference on a Type-II Weyl Semimetal Surface.

    Science.gov (United States)

    Zheng, Hao; Bian, Guang; Chang, Guoqing; Lu, Hong; Xu, Su-Yang; Wang, Guangqiang; Chang, Tay-Rong; Zhang, Songtian; Belopolski, Ilya; Alidoust, Nasser; Sanchez, Daniel S; Song, Fengqi; Jeng, Horng-Tay; Yao, Nan; Bansil, Arun; Jia, Shuang; Lin, Hsin; Hasan, M Zahid

    2016-12-23

    We combine quasiparticle interference simulation (theory) and atomic resolution scanning tunneling spectromicroscopy (experiment) to visualize the interference patterns on a type-II Weyl semimetal Mo_{x}W_{1-x}Te_{2} for the first time. Our simulation based on first-principles band topology theoretically reveals the surface electron scattering behavior. We identify the topological Fermi arc states and reveal the scattering properties of the surface states in Mo_{0.66}W_{0.34}Te_{2}. In addition, our result reveals an experimental signature of the topology via the interconnectivity of bulk and surface states, which is essential for understanding the unusual nature of this material.

  13. Stripping scattering of fast atoms on surfaces of metal-oxide crystals and ultrathin films; Streifende Streuung schneller Atome an Oberflaechen von Metalloxid-Kristallen und ultraduennen Filmen

    Energy Technology Data Exchange (ETDEWEB)

    Blauth, David

    2010-03-11

    In the framework of the present dissertation the interactions of fast atoms with surfaces of bulk oxides, metals and thin films on metals were studied. The experiments were performed in the regime of grazing incidence of atoms with energies of some keV. The advantage of this scattering geometry is the high surface sensibility and thus the possibility to determine the crystallographic and electronic characteristics of the topmost surface layer. In addition to these experiments, the energy loss and the electron emission induced by scattered projectiles was investigated. The energy for electron emission and exciton excitation on Alumina/NiAl(110) and SiO{sub 2}/Mo(112) are determined. By detection of the number of projectile induced emitted electrons as function of azimuthal angle for the rotation of the target surface, the geometrical structure of atoms forming the topmost layer of different adsorbate films on metal surfaces where determined via ion beam triangulation. (orig.)

  14. Electron mobility on the surface of liquid Helium: influence of surface level atoms and depopulation of lowest subbands

    International Nuclear Information System (INIS)

    Grigoriev, P. D.; Dyugaev, A. M.; Lebedeva, E. V.

    2008-01-01

    The temperature dependence of electron mobility is examined. We calculate the contribution to the electron scattering rate from the surface level atoms (SLAs), proposed in [10]. This contribution is substantial at low temperatures T < 0.5, when the He vapor concentration is exponentially small. We also study the effect of depopulation of the lowest energy subband, which leads to an increase in the electron mobility at high temperature. The results explain certain long-standing discrepancies between the existing theory and experiment on electron mobility on the surface of liquid helium

  15. Molecular dynamics study of the interactions of incident N or Ti atoms with the TiN(001) surface

    International Nuclear Information System (INIS)

    Xu, Zhenhai; Zeng, Quanren; Yuan, Lin; Qin, Yi; Chen, Mingjun; Shan, Debin

    2016-01-01

    Graphical abstract: - Highlights: • Interactions of incident N or Ti atoms with TiN(001) surface are studied by CMD. • The impact position of incident N on the surface determines the interaction modes. • Adsorption could occur due to the atomic exchange process. • Resputtering and reflection may simultaneously occur. • The initial sticking coefficient of N on TiN(001) is much smaller than that of Ti. - Abstract: The interaction processes between incident N or Ti atoms and the TiN(001) surface are simulated by classical molecular dynamics based on the second nearest-neighbor modified embedded-atom method potentials. The simulations are carried out for substrate temperatures between 300 and 700 K and kinetic energies of the incident atoms within the range of 0.5–10 eV. When N atoms impact against the surface, adsorption, resputtering and reflection of particles are observed; several unique atomic mechanisms are identified to account for these interactions, in which the adsorption could occur due to the atomic exchange process while the resputtering and reflection may simultaneously occur. The impact position of incident N atoms on the surface plays an important role in determining the interaction modes. Their occurrence probabilities are dependent on the kinetic energy of incident N atoms but independent on the substrate temperature. When Ti atoms are the incident particles, adsorption is the predominant interaction mode between particles and the surface. This results in the much smaller initial sticking coefficient of N atoms on the TiN(001) surface compared with that of Ti atoms. Stoichiometric TiN is promoted by N/Ti flux ratios larger than one.

  16. Nature of the concentration thresholds of europium atom yield from the oxidized tungsten surface under electron stimulated desorption

    CERN Document Server

    Davydov, S Y

    2002-01-01

    The nature of the electron-stimulated desorption (ESD) of the europium atoms by the E sub e irradiating electrons energies, equal to 50 and 80 eV, as well as peculiarities of the Eu atoms yield dependence on their concentration on the oxidized tungsten surface are discussed. It is shown, that the ESD originates by the electron transition from the interval 5p- or 5s shell of the tungsten surface atom onto the oxygen external unfilled 2p-level

  17. Phonon dispersion on Ag (100) surface: A modified analytic embedded atom method study

    International Nuclear Information System (INIS)

    Zhang Xiao-Jun; Chen Chang-Le

    2016-01-01

    Within the harmonic approximation, the analytic expression of the dynamical matrix is derived based on the modified analytic embedded atom method (MAEAM) and the dynamics theory of surface lattice. The surface phonon dispersions along three major symmetry directions, and XM-bar are calculated for the clean Ag (100) surface by using our derived formulas. We then discuss the polarization and localization of surface modes at points X-bar and M-bar by plotting the squared polarization vectors as a function of the layer index. The phonon frequencies of the surface modes calculated by MAEAM are compared with the available experimental and other theoretical data. It is found that the present results are generally in agreement with the referenced experimental or theoretical results, with a maximum deviation of 10.4%. The agreement shows that the modified analytic embedded atom method is a reasonable many-body potential model to quickly describe the surface lattice vibration. It also lays a significant foundation for studying the surface lattice vibration in other metals. (paper)

  18. DNA adsorption and desorption on mica surface studied by atomic force microscopy

    International Nuclear Information System (INIS)

    Sun Lanlan; Zhao Dongxu; Zhang Yue; Xu Fugang; Li Zhuang

    2011-01-01

    The adsorption of DNA molecules on mica surface and the following desorption of DNA molecules at ethanol-mica interface were studied using atomic force microscopy. By changing DNA concentration, different morphologies on mica surface have been observed. A very uniform and orderly monolayer of DNA molecules was constructed on the mica surface with a DNA concentration of 30 ng/μL. When the samples were immersed into ethanol for about 15 min, various desorption degree of DNA from mica (0-99%) was achieved. It was found that with the increase of DNA concentration, the desorption degree of DNA from the mica at ethanol-mica interface decreased. And when the uniform and orderly DNA monolayers were formed on the mica surface, almost no DNA molecule desorbed from the mica surface in this process. The results indicated that the uniform and orderly DNA monolayer is one of the most stable DNA structures formed on the mica surface. In addition, we have studied the structure change of DNA molecules after desorbed from the mica surface with atomic force microscopy, and found that the desorption might be ascribed to the ethanol-induced DNA condensation.

  19. DNA adsorption and desorption on mica surface studied by atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sun Lanlan [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Graduate school of the Chinese Academy of Sciences, Chinese Academy of Sciences, Renmin Street 5625, Changchun 130022 (China); Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China); Zhao Dongxu [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China); Zhang Yue; Xu Fugang [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Graduate school of the Chinese Academy of Sciences, Chinese Academy of Sciences, Renmin Street 5625, Changchun 130022 (China); Li Zhuang, E-mail: zli@ciac.jl.cn [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Graduate school of the Chinese Academy of Sciences, Chinese Academy of Sciences, Renmin Street 5625, Changchun 130022 (China)

    2011-05-15

    The adsorption of DNA molecules on mica surface and the following desorption of DNA molecules at ethanol-mica interface were studied using atomic force microscopy. By changing DNA concentration, different morphologies on mica surface have been observed. A very uniform and orderly monolayer of DNA molecules was constructed on the mica surface with a DNA concentration of 30 ng/{mu}L. When the samples were immersed into ethanol for about 15 min, various desorption degree of DNA from mica (0-99%) was achieved. It was found that with the increase of DNA concentration, the desorption degree of DNA from the mica at ethanol-mica interface decreased. And when the uniform and orderly DNA monolayers were formed on the mica surface, almost no DNA molecule desorbed from the mica surface in this process. The results indicated that the uniform and orderly DNA monolayer is one of the most stable DNA structures formed on the mica surface. In addition, we have studied the structure change of DNA molecules after desorbed from the mica surface with atomic force microscopy, and found that the desorption might be ascribed to the ethanol-induced DNA condensation.

  20. Atomic structure and composition of the yttria-stabilized zirconia (111) surface.

    Science.gov (United States)

    Vonk, Vedran; Khorshidi, Navid; Stierle, Andreas; Dosch, Helmut

    2013-06-01

    Anomalous and nonanomalous surface X-ray diffraction is used to investigate the atomic structure and composition of the yttria-stabilized zirconia (YSZ)(111) surface. By simulation it is shown that the method is sensitive to Y surface segregation, but that the data must contain high enough Fourier components in order to distinguish between different models describing Y/Zr disorder. Data were collected at room temperature after two different annealing procedures. First by applying oxidative conditions at 10 - 5  mbar O 2 and 700 K to the as-received samples, where we find that about 30% of the surface is covered by oxide islands, which are depleted in Y as compared with the bulk. After annealing in ultrahigh vacuum at 1270 K the island morphology of the surface remains unchanged but the islands and the first near surface layer get significantly enriched in Y. Furthermore, the observation of Zr and oxygen vacancies implies the formation of a porous surface region. Our findings have important implications for the use of YSZ as solid oxide fuel cell electrode material where yttrium atoms and zirconium vacancies can act as reactive centers, as well as for the use of YSZ as substrate material for thin film and nanoparticle growth where defects control the nucleation process.

  1. Magnetic Dichroism of Potassium Atoms on the Surface of Helium Nanodroplets

    International Nuclear Information System (INIS)

    Nagl, Johann; Auboeck, Gerald; Callegari, Carlo; Ernst, Wolfgang E.

    2007-01-01

    The population ratio of Zeeman sublevels of atoms on the surface of superfluid helium droplets (T=0.37 K) has been measured. Laser induced fluorescence spectra of K atoms are measured in the presence of a moderately strong magnetic field (2.9 kG). The relative difference between the two states of circular polarization of the exciting laser is used to determine the electron spin polarization of the ensemble. Equal fluorescence levels indicate that the two spin sublevels of the ground-state K atom are equipopulated, within 1%. Thermalization to 0.37 K would give a population ratio of 0.35. We deduce that the rate of spin relaxation induced by the droplet must be 2 triplet dimer we find instead full thermalization of the spin

  2. A Variance Distribution Model of Surface EMG Signals Based on Inverse Gamma Distribution.

    Science.gov (United States)

    Hayashi, Hideaki; Furui, Akira; Kurita, Yuichi; Tsuji, Toshio

    2017-11-01

    Objective: This paper describes the formulation of a surface electromyogram (EMG) model capable of representing the variance distribution of EMG signals. Methods: In the model, EMG signals are handled based on a Gaussian white noise process with a mean of zero for each variance value. EMG signal variance is taken as a random variable that follows inverse gamma distribution, allowing the representation of noise superimposed onto this variance. Variance distribution estimation based on marginal likelihood maximization is also outlined in this paper. The procedure can be approximated using rectified and smoothed EMG signals, thereby allowing the determination of distribution parameters in real time at low computational cost. Results: A simulation experiment was performed to evaluate the accuracy of distribution estimation using artificially generated EMG signals, with results demonstrating that the proposed model's accuracy is higher than that of maximum-likelihood-based estimation. Analysis of variance distribution using real EMG data also suggested a relationship between variance distribution and signal-dependent noise. Conclusion: The study reported here was conducted to examine the performance of a proposed surface EMG model capable of representing variance distribution and a related distribution parameter estimation method. Experiments using artificial and real EMG data demonstrated the validity of the model. Significance: Variance distribution estimated using the proposed model exhibits potential in the estimation of muscle force. Objective: This paper describes the formulation of a surface electromyogram (EMG) model capable of representing the variance distribution of EMG signals. Methods: In the model, EMG signals are handled based on a Gaussian white noise process with a mean of zero for each variance value. EMG signal variance is taken as a random variable that follows inverse gamma distribution, allowing the representation of noise superimposed onto this

  3. Density Functional Theory and Atomic Force Microscopy Study of Oleate Functioned on Siderite Surface

    Directory of Open Access Journals (Sweden)

    Lixia Li

    2018-01-01

    Full Text Available Efficiently discovering the interaction of the collector oleate and siderite is of great significance for understanding the inherent function of siderite weakening hematite reverse flotation. For this purpose, investigation of the adsorption behavior of oleate on siderite surface was performed by density functional theory (DFT calculations associating with atomic force microscopy (AFM imaging. The siderite crystal geometry was computationally optimized via convergence tests. Calculated results of the interaction energy and the Mulliken population verified that the collector oleate adsorbed on siderite surface and the covalent bond was established as a result of electrons transferring from O1 atoms (in oleate molecule to Fe1 atoms (in siderite lattice. Therefore, valence-electrons’ configurations of Fe1 and O1 changed into 3d6.514s0.37 and 2s1.832p4.73 from 3d6.214s0.31 and 2s1.83p4.88 correspondingly. Siderite surfaces with or without oleate functioned were examined with the aid of AFM imaging in PeakForce Tapping mode, and the functioned siderite surface was found to be covered by vesicular membrane matters with the average roughness of 16.4 nm assuring the oleate adsorption. These results contributed to comprehending the interaction of oleate and siderite.

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

    Science.gov (United States)

    Tachikawa, Hiroto

    2017-02-01

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

  5. Distribution of electrons in double photoionization of helium and heavier atoms in the asymptotic region

    International Nuclear Information System (INIS)

    Drukarev, E.G.

    1995-01-01

    This paper presents an analysis of the energy distribution of the outgoing electrons in the double ionization of helium by photons with energies much larger than the ionization potential. The analysis improves on the one carried out by Amusia et al. [J. Phys. B 8, 1248 (1975)] in the framework of the special model for the wave function of helium. Now the energy distribution is expressed through certain expectation values averaged over the initial state described by the wave function of the general form Ψ(r 1 ,r 2 ). A larger interval of values of photon energies is considered. The limit equations for the angular distribution are obtained. The general features of the process with heavier atoms are also analyzed

  6. Needs for fundamental atomic reference data and data distribution — a collage of discussions

    Science.gov (United States)

    Boumans, P. W. J. M.

    This article reports, in edited form, the discussions following a series of presentations during a Workshop " Needs for Fundamental Atomic Reference Data for Analytical Spectroscopy". This report forms part of the complete Proceedings of the Workshop, in which the extended and edited texts of the presentations, along with the conclusions, are bundled [ Spectrochim. Acta43B, No. 1 (1988)]. In the present "collage", the discussions are grouped under the following headings: (a) targets of the workshop, (b) distribution of the questionnaire, (c) data compilation, (d) clearinghouse for data — accuracy and critical evaluation of data — confidence in data, (e) spectral simulation — partition functions — COSMIC program —understanding the ICP, (f) work at the National Bureau of Standards (NBS) — information on NBS publications, (g) approaches to and instruments for data compilation — multielement interference corrections, (h) type of database and database manager, (i) atomic fluorescence spectrometry - Rydberg states, and (j) transient discharges.

  7. Wave functions and two-electron probability distributions of the Hooke's-law atom and helium

    International Nuclear Information System (INIS)

    O'Neill, Darragh P.; Gill, Peter M. W.

    2003-01-01

    The Hooke's-law atom (hookium) provides an exactly soluble model for a two-electron atom in which the nuclear-electron Coulombic attraction has been replaced by a harmonic one. Starting from the known exact position-space wave function for the ground state of hookium, we present the momentum-space wave function. We also look at the intracules, two-electron probability distributions, for hookium in position, momentum, and phase space. These are compared with the Hartree-Fock results and the Coulomb holes (the difference between the exact and Hartree-Fock intracules) in position, momentum, and phase space are examined. We then compare these results with analogous results for the ground state of helium using a simple, explicitly correlated wave function

  8. Atomic structure of the SbCu surface alloy: A surface X-ray diffraction study

    DEFF Research Database (Denmark)

    Meunier, I.; Gay, J.M.; Lapena, L.

    1999-01-01

    The dissolution at 400 degrees C of an antimony layer deposited at room temperature on a Cu(111) substrate leads to a surface alloy with a p(root 3x root 3)R 30 degrees x 30 degrees superstructure and a Sb composition of 1/3.We present here a structural study of this Sb-Cu compound by surface X...

  9. The surface reactivity of acrylonitrile with oxygen atoms on an analogue of interstellar dust grains

    Science.gov (United States)

    Kimber, Helen J.; Toscano, Jutta; Price, Stephen D.

    2018-06-01

    Experiments designed to reveal the low-temperature reactivity on the surfaces of interstellar dust grains are used to probe the heterogeneous reaction between oxygen atoms and acrylonitrile (C2H3CN, H2C=CH-CN). The reaction is studied at a series of fixed surface temperatures between 14 and 100 K. After dosing the reactants on to the surface, temperature-programmed desorption, coupled with time-of-flight mass spectrometry, reveals the formation of a product with the molecular formula C3H3NO. This product results from the addition of a single oxygen atom to the acrylonitrile reactant. The oxygen atom attack appears to occur exclusively at the C=C double bond, rather than involving the cyano(-CN) group. The absence of reactivity at the cyano site hints that full saturation of organic molecules on dust grains may not always occur in the interstellar medium. Modelling the experimental data provides a reaction probability of 0.007 ± 0.003 for a Langmuir-Hinshelwood style (diffusive) reaction mechanism. Desorption energies for acrylonitrile, oxygen atoms, and molecular oxygen, from the multilayer mixed ice their deposition forms, are also extracted from the kinetic model and are 22.7 ± 1.0 kJ mol-1 (2730 ± 120 K), 14.2 ± 1.0 kJ mol-1 (1710 ± 120 K), and 8.5 ± 0.8 kJ mol-1 (1020 ± 100 K), respectively. The kinetic parameters we extract from our experiments indicate that the reaction between atomic oxygen and acrylonitrile could occur on interstellar dust grains on an astrophysical time-scale.

  10. Drop impacts onto cold and heated rigid surfaces: Morphological comparisons, disintegration limits and secondary atomization

    International Nuclear Information System (INIS)

    Moita, A.S.; Moreira, A.L.N.

    2007-01-01

    This paper addresses an experimental study aimed at characterizing the mechanisms of disintegration which occur when individual water and fuel droplets impact onto heated surfaces. The experiments consider the use of a simplified flow configuration and make use of high-speed visualization together with image processing techniques to characterize the morphology of the impact and to quantify the outcome of secondary atomization in terms of droplet size and number. The results evidence that surface topography, wettability and liquid properties combine in a complex way to alter the wetting behaviour of droplets at impact at different surface temperatures. The relative importance of the dynamic vapor pressure associated with the rate of vaporization and surface roughness increases with surface temperature and becomes dominant at the film boiling regime. The analysis is aimed at giving a phenomenological description of droplet disintegration within the various heat transfer regimes

  11. Measuring adhesion on rough surfaces using atomic force microscopy with a liquid probe

    Directory of Open Access Journals (Sweden)

    Juan V. Escobar

    2017-04-01

    Full Text Available We present a procedure to perform and interpret pull-off force measurements during the jump-off-contact process between a liquid drop and rough surfaces using a conventional atomic force microscope. In this method, a micrometric liquid mercury drop is attached to an AFM tipless cantilever to measure the force required to pull this drop off a rough surface. We test the method with two surfaces: a square array of nanometer-sized peaks commonly used for the determination of AFM tip sharpness and a multi-scaled rough diamond surface containing sub-micrometer protrusions. Measurements are carried out in a nitrogen atmosphere to avoid water capillary interactions. We obtain information about the average force of adhesion between a single peak or protrusion and the liquid drop. This procedure could provide useful microscopic information to improve our understanding of wetting phenomena on rough surfaces.

  12. Distinction of heterogeneity on Au nanostructured surface based on phase contrast imaging of atomic force microscopy

    International Nuclear Information System (INIS)

    Jung, Mi; Choi, Jeong-Woo

    2010-01-01

    The discrimination of the heterogeneity of different materials on nanostructured surfaces has attracted a great deal of interest in biotechnology as well as nanotechnology. Phase imaging through tapping mode of atomic force microscopy (TMAFM) can be used to distinguish the heterogeneity on a nanostructured surface. Nanostructures were fabricated using anodic aluminum oxide (AAO). An 11-mercaptoundecanoic acid (11-MUA) layer adsorbed onto the Au nanodots through self-assembly to improve the bio-compatibility. The Au nanostructures that were modified with 11-MUA and the concave surfaces were investigated using the TMAFM phase images to compare the heterogeneous and homogeneous nanostructured surfaces. Although the topography and phase images were taken simultaneously, the images were different. Therefore, the contrast in the TMAFM phase images revealed the different compositional materials on the heterogeneous nanostructure surface.

  13. Structural dynamics and activity of nanocatalysts inside fuel cells by in operando atomic pair distribution studies.

    Science.gov (United States)

    Petkov, Valeri; Prasai, Binay; Shan, Shiyao; Ren, Yang; Wu, Jinfang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian

    2016-05-19

    Here we present the results from a study aimed at clarifying the relationship between the atomic structure and activity of nanocatalysts for chemical reactions driving fuel cells, such as the oxygen reduction reaction (ORR). In particular, using in operando high-energy X-ray diffraction (HE-XRD) we tracked the evolution of the atomic structure and activity of noble metal-transition metal (NM-TM) nanocatalysts for ORR as they function at the cathode of a fully operational proton exchange membrane fuel cell (PEMFC). Experimental HE-XRD data were analysed in terms of atomic pair distribution functions (PDFs) and compared to the current output of the PEMFC, which was also recorded during the experiments. The comparison revealed that under actual operating conditions, NM-TM nanocatalysts can undergo structural changes that differ significantly in both length-scale and dynamics and so can suffer losses in their ORR activity that differ significantly in both character and magnitude. Therefore we argue that strategies for reducing ORR activity losses should implement steps for achieving control not only over the length but also over the time-scale of the structural changes of NM-TM NPs that indeed occur during PEMFC operation. Moreover, we demonstrate how such a control can be achieved and thereby the performance of PEMFCs improved considerably. Last but not least, we argue that the unique capabilities of in operando HE-XRD coupled to atomic PDF analysis to characterize active nanocatalysts inside operating fuel cells both in a time-resolved manner and with atomic level resolution, i.e. in 4D, can serve well the ongoing search for nanocatalysts that deliver more with less platinum.

  14. Phonon-mediated decay of an atom in a surface-induced potential

    International Nuclear Information System (INIS)

    Kien, Fam Le; Hakuta, K.; Dutta Gupta, S.

    2007-01-01

    We study phonon-mediated transitions between translational levels of an atom in a surface-induced potential. We present a general master equation governing the dynamics of the translational states of the atom. In the framework of the Debye model, we derive compact expressions for the rates for both upward and downward transitions. Numerical calculations for the transition rates are performed for a deep silica-induced potential allowing for a large number of bound levels as well as free states of a cesium atom. The total absorption rate is shown to be determined mainly by the bound-to-bound transitions for deep bound levels and by bound-to-free transitions for shallow bound levels. Moreover, the phonon emission and absorption processes can be orders of magnitude larger for deep bound levels as compared to the shallow bound ones. We also study various types of transitions from free states. We show that, for thermal atomic cesium with a temperature in the range from 100 μK to 400 μK in the vicinity of a silica surface with a temperature of 300 K, the adsorption (free-to-bound decay) rate is about two times larger than the heating (free-to-free upward decay) rate, while the cooling (free-to-free downward decay) rate is negligible

  15. Topography and Mechanical Property Mapping of International Simple Glass Surfaces with Atomic Force Microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pierce, Eric M [ORNL

    2014-01-01

    Quantitative Nanomechanical Peak Force (PF-QNM) TappingModeTM atomic force microscopy measurements are presented for the first time on polished glass surfaces. The PF-QNM technique allows for topography and mechanical property information to be measured simultaneously at each pixel. Results for the international simple glass which represents a simplified version of SON68 glass suggests an average Young s modulus of 78.8 15.1 GPa is within the experimental error of the modulus measured for SON68 glass (83.6 2 GPa) with conventional approaches. Application of the PF-QNM technique will be extended to in situ glass corrosion experiments with the goal of gaining atomic-scale insights into altered layer development by exploiting the mechanical property differences that exist between silica gel (e.g., altered layer) and pristine glass surface.

  16. Pesticides distribution in surface waters and sediments of lotic and ...

    African Journals Online (AJOL)

    An investigation on the availability and distribution of Lindane (HCHs) and Total organochlorine phosphate (TOCP) in the surface waters and sediments of selected water bodies in Agbede wetlands was carried out from December, 2012 to May, 2014 in order to cover seasonal trends in both matrixes. A Gas Chromatograph ...

  17. Surface water assessment on the influence of space distribution on ...

    African Journals Online (AJOL)

    In this work, the influence of space distribution on physico-chemical parameters of refinery effluent discharge has been studied, using treated effluent water discharged from the Port Harcourt Refinery Company (PHRC) into the Ekerekana Creek in Okrika as reference. Samples were collected at surface level from the ...

  18. Study of the Adsorption of Atoms and Molecules on Silicon Surfaces: Crystallographics and Electronic Structure

    International Nuclear Information System (INIS)

    Bengio, Silvina

    2003-01-01

    This thesis work has been concerned with adsorption properties of silicon surfaces.The atomic and electronic structure of molecules and atoms adsorbed on Si has been investigated by means of photoemission experiments combined with synchrotron radiation.The quantitative atomic structure determination was held applying the photoelectron diffraction technique.This technique is sensible to the local structure of a reference atomic specie and has elemental and chemical-state specificity.This approach has been applied to three quite different systems with different degrees of complexity, Sb/Si(111) √3x √3R30 0 , H 2 O/Si(100)2x1 and NH 3 /Si(111)7x7.Our results show that Sb which forms a ( √3√3)R30 0 phase produces a bulklike-terminated Si(111)1x1 substrate free of stacking faults.Regarding the atomic structure of its interface, this study strongly favours the T4-site milkstool model over the H3 one.An important aspect regarding the H 2 O/Si(100)(2x1) system was establishing the limits of precision with which one can determine not only the location of the adsorbed hydroxyl (OH) species, but also the extent to which this adsorption modifes the asymmetric dimers of the clean surface to which it is bonded.On the Si(111)(7x7) surface the problem is particularly complex because there are several different potentially active sites for NH3 adsorption and fragmentation.The application of the PhD method, however, has shown that the majority of the N atoms are on so-called 'rest atom' sites when deposited at RT.This is consistent with the N in the NH2 chemical state.This investigation represents the first quantitative structural study of any molecular adsorbate on the complex Si(111)(7x7) surface.This atomic structures determination shows the PhD is a powerful tool for the atomic structure determination.The molecular systems interacting with the active sites of the substrate fragments producing a short-range order surface.This long-range disorder is produced by the

  19. Measurement of the surface susceptibility and the surface conductivity of atomically thin by spectroscopic ellipsometry

    KAUST Repository

    Jayaswal, Gaurav; Dai, Zhenyu; Zhang, Xixiang; Bagnarol, Mirko; Martucci, Alessandro; Merano, Michele

    2017-01-01

    We show how to correctly extract from the ellipsometric data the surface susceptibility and the surface conductivity that describe the optical properties of monolayer $\\rm MoS_2$. Theoretically, these parameters stem from modelling a single-layer two-dimensional crystal as a surface current, a truly two-dimensional model. Currently experimental practice is to consider this model equivalent to a homogeneous slab with an effective thickness given by the interlayer spacing of the exfoliating bulk material. We prove that the error in the evaluation of the surface susceptibility of monolayer $\\rm MoS_2$, owing to the use of the slab model, is at least 10% or greater, a significant discrepancy in the determination of the optical properties of this material.

  20. Measurement of the surface susceptibility and the surface conductivity of atomically thin by spectroscopic ellipsometry

    KAUST Repository

    Jayaswal, Gaurav

    2017-10-01

    We show how to correctly extract from the ellipsometric data the surface susceptibility and the surface conductivity that describe the optical properties of monolayer $\\ m MoS_2$. Theoretically, these parameters stem from modelling a single-layer two-dimensional crystal as a surface current, a truly two-dimensional model. Currently experimental practice is to consider this model equivalent to a homogeneous slab with an effective thickness given by the interlayer spacing of the exfoliating bulk material. We prove that the error in the evaluation of the surface susceptibility of monolayer $\\ m MoS_2$, owing to the use of the slab model, is at least 10% or greater, a significant discrepancy in the determination of the optical properties of this material.

  1. Adsorption/desorption kinetics of Na atoms on reconstructed Si (111)-7 x 7 surface

    International Nuclear Information System (INIS)

    Chauhan, Amit Kumar Singh; Govind; Shivaprasad, S.M.

    2010-01-01

    Self-assembled nanostructures on a periodic template are fundamentally and technologically important as they put forward the possibility to fabricate and pattern micro/nano-electronics for sensors, ultra high-density memories and nanocatalysts. Alkali-metal (AM) nanostructure grown on a semiconductor surface has received considerable attention because of their simple hydrogen like electronic structure. However, little efforts have been made to understand the fundamental aspects of the growth mechanism of self-assembled nanostructures of AM on semiconductor surfaces. In this paper, we report organized investigation of kinetically controlled room-temperature (RT) adsorption/desorption of sodium (Na) metal atoms on clean reconstructed Si (111)-7 x 7 surface, by X-ray photoelectron spectroscopy (XPS). The RT uptake curve shows a layer-by-layer growth (Frank-vander Merve growth) mode of Na on Si (111)-7 x 7 surfaces and a shift is observed in the binding energy position of Na (1s) spectra. The thermal stability of the Na/Si (111) system was inspected by annealing the system to higher substrate temperatures. Within a temperature range from RT to 350 o C, the temperature induced mobility to the excess Na atoms sitting on top of the bilayer, allowing to arrange themselves. Na atoms desorbed over a wide temperature range of 370 o C, before depleting the Si (111) surface at temperature 720 o C. The acquired valence-band (VB) spectra during Na growth revealed the development of new electronic-states near the Fermi level and desorption leads the termination of these. For Na adsorption up to 2 monolayers, decrease in work function (-1.35 eV) was observed, whereas work function of the system monotonically increases with Na desorption from the Si surface as observed by other studies also. This kinetic and thermodynamic study of Na adsorbed Si (111)-7 x 7 system can be utilized in fabrication of sensors used in night vision devices.

  2. Lateral and vertical manipulations of single atoms on the Ag(1 1 1) surface with the copper single-atom and trimer-apex tips

    International Nuclear Information System (INIS)

    Xie Yiqun; Yang Tianxing; Ye Xiang; Huang Lei

    2011-01-01

    We study the lateral and vertical manipulations of single Ag and Cu atoms on the Ag(1 1 1) surface with the Cu single-atom and trimer-apex tips using molecular statics simulations. The reliability of the lateral manipulation with the Cu single-atom tip is investigated, and compared with that for the Ag tips. We find that overall the manipulation reliability (MR) increases with the decreasing tip height, and in a wide tip-height range the MR is better than those for both the Ag single-atom and trimer-apex tips. This is due to the stronger attractive force of the Cu tip and its better stability against the interactions with the Ag surface. With the Cu trimer-apex tip, the single Ag and Cu adatoms can be picked up from the flat Ag(1 1 1) surface, and moreover a reversible vertical manipulation of single Ag atoms on the stepped Ag(1 1 1) surface is possible, suggesting a method to modify two-dimensional Ag nanostructures on the Ag(1 1 1) surface with the Cu trimer-apex tip.

  3. Defects in oxide surfaces studied by atomic force and scanning tunneling microscopy

    Directory of Open Access Journals (Sweden)

    Thomas König

    2011-01-01

    Full Text Available Surfaces of thin oxide films were investigated by means of a dual mode NC-AFM/STM. Apart from imaging the surface termination by NC-AFM with atomic resolution, point defects in magnesium oxide on Ag(001 and line defects in aluminum oxide on NiAl(110, respectively, were thoroughly studied. The contact potential was determined by Kelvin probe force microscopy (KPFM and the electronic structure by scanning tunneling spectroscopy (STS. On magnesium oxide, different color centers, i.e., F0, F+, F2+ and divacancies, have different effects on the contact potential. These differences enabled classification and unambiguous differentiation by KPFM. True atomic resolution shows the topography at line defects in aluminum oxide. At these domain boundaries, STS and KPFM verify F2+-like centers, which have been predicted by density functional theory calculations. Thus, by determining the contact potential and the electronic structure with a spatial resolution in the nanometer range, NC-AFM and STM can be successfully applied on thin oxide films beyond imaging the topography of the surface atoms.

  4. Interactions between nitrogen molecules and barium atoms on Ru (0001) surface

    International Nuclear Information System (INIS)

    Zhao Xinxin; Mi Yiming; Xu Hongxia; Wang Lili; Ren Li; Tao Xiangming; Tan Mingqiu

    2011-01-01

    We had performed first principles calculations on interactions between nitrogen molecules and barium atoms on Ru (0001) surface using density function theory methods. It was shown that effects of barium atoms weakened the bond strength of nitrogen molecules. The bond length of nitrogen molecule increases from 0.113 nm on Ru (001)-N 2 to 0.120 nm on Ru (001)-N 2 /Ba surface. While stretch vibrational frequency of nitrogen molecule decreased from 2222 cm -1 and charge transfer toward nitrogen molecule increased from 0.3 e to 1.1 e. Charge was mainly translated from 6 s orbitals of barium atoms to 4 d orbitals of substrate, which enhanced the hybridization between 4 d and 2 π orbitals and increased the dipole moment of 5 σ and d π orbitals of nitrogen molecule. The molecular dipole moment of nitrogen molecule was increased by -0.136 e Anstrom. It was suggested that barium had some characters to be an electronic promoter on the process of activating nitrogen molecules on Ru (0001) surface. (authors)

  5. Diffractive scattering of H atoms from the (001) surface of LiF at 78 K

    International Nuclear Information System (INIS)

    Caracciolo, G.; Iannotta, S.; Scoles, G.; Valbusa, U.

    1980-01-01

    We have built an apparatus for the measurement of high resolution diffractive scattering of hydrogen atoms from crystal surfaces. The apparatus comprises a hydrogen atom beam source, a hexapolar magnetic field velocity selector, a variable temperature UHV crystal manipulator, and a rotatable bolometer detector. The diffraction pattern of a beam of hydrogen atoms scattered by a (001) LiF surface at 78 K has been obtained for different angles of incidence and different orientations of the crystal. The Debye--Waller factor has been measured leading to a surface Debye temperature theta/sub S/=550 +- 38 K. The corrugated-hard-wall-with-a-well model of Garibaldi et al. [Surf. Sci. 48, 649 (1975)] has been used for the interpretation of the intensities of the diffracted peaks. By means of a best fit procedure we obtain a main ''corrugation'' parameter xi 0 =0.095 A. By comparison of the data with the theory of Cabrera et al. [Surf. Sci. 19, 70 (1967] at the first order, the strength parameters of a periodic Morse potential have been determined

  6. Quantitative characterization of the atomic-scale structure of oxyhydroxides in rusts formed on steel surfaces

    International Nuclear Information System (INIS)

    Saito, M.; Suzuki, S.; Kimura, M.; Suzuki, T.; Kihira, H.; Waseda, Y.

    2005-01-01

    Quantitative X-ray structural analysis coupled with anomalous X-ray scattering has been used for characterizing the atomic-scale structure of rust formed on steel surfaces. Samples were prepared from rust layers formed on the surfaces of two commercial steels. X-ray scattered intensity profiles of the two samples showed that the rusts consisted mainly of two types of ferric oxyhydroxide, α-FeOOH and γ-FeOOH. The amounts of these rust components and the realistic atomic arrangements in the components were estimated by fitting both the ordinary and the environmental interference functions with a model structure calculated using the reverse Monte Carlo simulation technique. The two rust components were found to be the network structure formed by FeO 6 octahedral units, the network structure itself deviating from the ideal case. The present results also suggest that the structural analysis method using anomalous X-ray scattering and the reverse Monte Carlo technique is very successful in determining the atomic-scale structure of rusts formed on the steel surfaces

  7. Ejected electron energy distribution in the ionization of atomic hydrogen by C6+ impact

    International Nuclear Information System (INIS)

    Dey, Ritu; Roy, A.C.

    2006-01-01

    We report doubly differential cross section (DDCS) for C 6+ impact ionization of atomic hydrogen at the incident energy of 2.5 MeV/amu. The calculation is based on the eikonal approximation (EA) method. A comparison is made of the present DDCS with the results of other theoretical methods and experiment. It is found that the multiple scattering effect has a significant influence on the energy distributions of the ejected electrons. The cross sections predicted by the present EA also show reasonably good agreement with experiment

  8. Atomic pairwise distribution function analysis of the amorphous phase prepared by different manufacturing routes

    DEFF Research Database (Denmark)

    Boetker, Johan P.; Koradia, Vishal; Rades, Thomas

    2012-01-01

    was subjected to quench cooling thereby creating an amorphous form of the drug from both starting materials. The milled and quench cooled samples were, together with the crystalline starting materials, analyzed with X-ray powder diffraction (XRPD), Raman spectroscopy and atomic pair-wise distribution function...... (PDF) analysis of the XRPD pattern. When compared to XRPD and Raman spectroscopy, the PDF analysis was superior in displaying the difference between the amorphous samples prepared by milling and quench cooling approaches of the two starting materials....

  9. Atomic force microscopy recognition of protein A on Staphylococcus aureus cell surfaces by labelling with IgG-Au conjugates.

    Science.gov (United States)

    Tatlybaeva, Elena B; Nikiyan, Hike N; Vasilchenko, Alexey S; Deryabin, Dmitri G

    2013-01-01

    The labelling of functional molecules on the surface of bacterial cells is one way to recognize the bacteria. In this work, we have developed a method for the selective labelling of protein A on the cell surfaces of Staphylococcus aureus by using nanosized immunogold conjugates as cell-surface markers for atomic force microscopy (AFM). The use of 30-nm size Au nanoparticles conjugated with immunoglobulin G (IgG) allowed the visualization, localization and distribution of protein A-IgG complexes on the surface of S. aureus. The selectivity of the labelling method was confirmed in mixtures of S. aureus with Bacillus licheniformis cells, which differed by size and shape and had no IgG receptors on the surface. A preferential binding of the IgG-Au conjugates to S. aureus was obtained. Thus, this novel approach allows the identification of protein A and other IgG receptor-bearing bacteria, which is useful for AFM indication of pathogenic microorganisms in poly-component associations.

  10. Atomic force microscopy recognition of protein A on Staphylococcus aureus cell surfaces by labelling with IgG–Au conjugates

    Directory of Open Access Journals (Sweden)

    Elena B. Tatlybaeva

    2013-11-01

    Full Text Available The labelling of functional molecules on the surface of bacterial cells is one way to recognize the bacteria. In this work, we have developed a method for the selective labelling of protein A on the cell surfaces of Staphylococcus aureus by using nanosized immunogold conjugates as cell-surface markers for atomic force microscopy (AFM. The use of 30-nm size Au nanoparticles conjugated with immunoglobulin G (IgG allowed the visualization, localization and distribution of protein A–IgG complexes on the surface of S. aureus. The selectivity of the labelling method was confirmed in mixtures of S. aureus with Bacillus licheniformis cells, which differed by size and shape and had no IgG receptors on the surface. A preferential binding of the IgG–Au conjugates to S. aureus was obtained. Thus, this novel approach allows the identification of protein A and other IgG receptor-bearing bacteria, which is useful for AFM indication of pathogenic microorganisms in poly-component associations.

  11. Atomic force microscopy recognition of protein A on Staphylococcus aureus cell surfaces by labelling with IgG–Au conjugates

    Science.gov (United States)

    Tatlybaeva, Elena B; Vasilchenko, Alexey S; Deryabin, Dmitri G

    2013-01-01

    Summary The labelling of functional molecules on the surface of bacterial cells is one way to recognize the bacteria. In this work, we have developed a method for the selective labelling of protein A on the cell surfaces of Staphylococcus aureus by using nanosized immunogold conjugates as cell-surface markers for atomic force microscopy (AFM). The use of 30-nm size Au nanoparticles conjugated with immunoglobulin G (IgG) allowed the visualization, localization and distribution of protein A–IgG complexes on the surface of S. aureus. The selectivity of the labelling method was confirmed in mixtures of S. aureus with Bacillus licheniformis cells, which differed by size and shape and had no IgG receptors on the surface. A preferential binding of the IgG–Au conjugates to S. aureus was obtained. Thus, this novel approach allows the identification of protein A and other IgG receptor-bearing bacteria, which is useful for AFM indication of pathogenic microorganisms in poly-component associations. PMID:24367742

  12. Influences of H on the Adsorption of a Single Ag Atom on Si(111-7 × 7 Surface

    Directory of Open Access Journals (Sweden)

    Lin Xiu-Zhu

    2009-01-01

    Full Text Available Abstract The adsorption of a single Ag atom on both clear Si(111-7 × 7 and 19 hydrogen terminated Si(111-7 × 7 (hereafter referred as 19H-Si(111-7 × 7 surfaces has been investigated using first-principles calculations. The results indicated that the pre-adsorbed H on Si surface altered the surface electronic properties of Si and influenced the adsorption properties of Ag atom on the H terminated Si surface (e.g., adsorption site and bonding properties. Difference charge density data indicated that covalent bond is formed between adsorbed Ag and H atoms on 19H-Si(111-7 × 7 surface, which increases the adsorption energy of Ag atom on Si surface.

  13. Hydrophilization of poly(ether ether ketone) films by surface-initiated atom transfer radical polymerization

    DEFF Research Database (Denmark)

    Fristrup, Charlotte Juel; Jankova Atanasova, Katja; Hvilsted, Søren

    2010-01-01

    Surface-Initiated Atom Transfer Radical Polymerization (SI-ATRP) has been exploited to hydrophilize PEEK. The ketone groups on the PEEK surface were reduced to hydroxyl groups which were converted to bromoisobutyrate initiating sites for SI-ATRP. The modification steps were followed by contact...... angle measurements and XPS. Moreover, ATR FTIR has been used to confirm the formation of initiating groups. Grafting of PEGMA from PEEK was performed in aqueous solution. The presence of the PPEGMA grafts on PEEK was revealed by the thermograms from TGA whereas investigations with AFM rejected changes...

  14. Surface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures

    International Nuclear Information System (INIS)

    Evarestov, Robert; Bandura, Andrei; Blokhin, Eugeny

    2009-01-01

    The study of the bulk and surface properties of cubic (fluorite structure) HfO 2 and UO 2 was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO 2 differ from those found for other metal oxides with the closed-shell configuration of d-electrons

  15. Quantum theory of scattering of atoms and diatomic molecules by solid surfaces

    International Nuclear Information System (INIS)

    Liu, W.S.

    1973-01-01

    The unitary treatment, based on standard t-matrix theory, of the quantum theory of scattering of atoms by solid surfaces, is extended to the scattering of particles having internal degrees of freedom by perfect harmonic crystalline surfaces. The diagonal matrix element of the interaction potential which enters into the quantum scattering theory is obtained to represent the potential for the specular beam. From the two-potential formula, the scattering intensities for the diffracted beams and the inelastic beams with or without internal transitions of the particles are obtained by solving the equation for the t-matrix elements. (author)

  16. Surface tension effect on the mechanical properties of nanomaterials measured by atomic force microscopy

    Science.gov (United States)

    Cuenot, Stéphane; Frétigny, Christian; Demoustier-Champagne, Sophie; Nysten, Bernard

    2004-04-01

    The effect of reduced size on the elastic properties measured on silver and lead nanowires and on polypyrrole nanotubes with an outer diameter ranging between 30 and 250 nm is presented and discussed. Resonant-contact atomic force microscopy (AFM) is used to measure their apparent elastic modulus. The measured modulus of the nanomaterials with smaller diameters is significantly higher than that of the larger ones. The latter is comparable to the macroscopic modulus of the materials. The increase of the apparent elastic modulus for the smaller diameters is attributed to surface tension effects. The surface tension of the probed material may be experimentally determined from these AFM measurements.

  17. In situ AFM investigation of electrochemically induced surface-initiated atom-transfer radical polymerization.

    Science.gov (United States)

    Li, Bin; Yu, Bo; Zhou, Feng

    2013-02-12

    Electrochemically induced surface-initiated atom-transfer radical polymerization is traced by in situ AFM technology for the first time, which allows visualization of the polymer growth process. It affords a fundamental insight into the surface morphology and growth mechanism simultaneously. Using this technique, the polymerization kinetics of two model monomers were studied, namely the anionic 3-sulfopropyl methacrylate potassium salt (SPMA) and the cationic 2-(metharyloyloxy)ethyltrimethylammonium chloride (METAC). The growth of METAC is significantly improved by screening the ammonium cations by the addition of ionic liquid electrolyte in aqueous solution. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Atomic force microscopic study of the effects of ethanol on yeast cell surface morphology.

    Science.gov (United States)

    Canetta, Elisabetta; Adya, Ashok K; Walker, Graeme M

    2006-02-01

    The detrimental effects of ethanol toxicity on the cell surface morphology of Saccharomyces cerevisiae (strain NCYC 1681) and Schizosaccharomyces pombe (strain DVPB 1354) were investigated using an atomic force microscope (AFM). In combination with culture viability and mean cell volume measurements AFM studies allowed us to relate the cell surface morphological changes, observed on nanometer lateral resolution, with the cellular stress physiology. Exposing yeasts to increasing stressful concentrations of ethanol led to decreased cell viabilities and mean cell volumes. Together with the roughness and bearing volume analyses of the AFM images, the results provided novel insight into the relative ethanol tolerance of S. cerevisiae and Sc. pombe.

  19. Interaction of scandium and titanium atoms with a carbon surface containing five- and seven-membered rings

    International Nuclear Information System (INIS)

    Krasnov, P. O.; Eliseeva, N. S.; Kuzubov, A. A.

    2012-01-01

    The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of five- and seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

  20. Novel pathways for elimination of chlorine atoms from growing Si(100) surfaces in CVD reactors

    Science.gov (United States)

    Kunioshi, Nílson; Hagino, Sho; Fuwa, Akio; Yamaguchi, Katsunori

    2018-05-01

    Reactions leading to elimination of chlorine atoms from growing Si(100) surfaces were simulated using clusters of silicon atoms of different sizes and shapes, and at the UB3LYP/6-31 g(d,p) level of theory. The reactions of type SiCl2(s) + 2 H2(g), where (s) indicates an adsorbed species at the surface and (g) a gas-phase species, were found to proceed in two steps: SiCl2(s) + H2(g) → SiHCl(s) + HCl(g) and SiHCl(s) + H2(g) → SiH2(s) + HCl(g), each having activation energies around 55 kcal/mol, a value which is comparable to experimental values published in the literature. In addition, the results suggested that H-passivation of Si(100) surfaces support reactions leading to canonical epitaxial growth, providing a plausible explanation for the convenience of passivating the surfaces prior to silicon deposition. The reactions analyzed here can therefore be seen as important steps in the mechanism of epitaxial growth of Si(100) surfaces.

  1. Experimental studies of ions and atoms interaction with insulating surface; Etude experimentale de l'interaction rasante d'atomes et d'ions sur des surfaces isolantes

    Energy Technology Data Exchange (ETDEWEB)

    Villette, J

    2000-10-15

    Grazing collisions (<3 deg.) of keV ions and atoms: H{sup +}, Ne{sup +}, Ne{sup 0}, Na{sup +} on LiF (001) single crystal, an ionic insulator, are investigated by a time of flight technique. The incident beam is chopped and the scattered particles are collected on a position sensitive detector providing differential cross section while the time of flight gives the energy loss. Deflection plates allow the charge state analysis. Secondary electrons are detected in coincidence allowing direct measurements of electron emission yield, angular and energetic distribution through time of flight measurements. The target electronic structure characterized by a large band gap, governs the collisional processes: charge exchange, electronic excitations and electron emission. In particular, these studies show that the population of local target excitations surface excitons is the major contribution to the kinetic energy transfer (stopping power). Auger neutralization of Ne{sup +} and He{sup +} ions reveals the population of quasi-molecular excitons, an exciton bound on two holes. Referenced in the literature as trion. A direct energy balance determines the binding energy associated with these excited states of the surface. Besides these electronic energy loss processes, two nuclear energy loss mechanisms are characterized. These processes imply momentum transfer to individual target atoms during close binary collisions or, if the projectile is charged, to collective mode of optical phonons induced by the projectile coulomb field. The effect of the temperature on the scattering profile, the contribution of topological surface defects to the energy loss profile and to skipping motion on the surface are analyzed in view of classical trajectory simulations. (author)

  2. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

    Energy Technology Data Exchange (ETDEWEB)

    López-Moreno, S., E-mail: sinlopez@uacam.mx [Centro de Investigación en Corrosión, Universidad Autónoma de Campeche, Av. Héroe de Nacozari 480, Campeche, Campeche 24029 (Mexico); Romero, A. H. [Physics Department, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)

    2015-04-21

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O{sub 2} molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

  3. Atomic force microscopy of surface topography of nitrogen plasma treated steel

    CERN Document Server

    Mahboubi, F

    2002-01-01

    Nitriding of steels, using plasma environments has been practiced for many years. A lot of efforts have been put on developing new methods, such as plasma immersion ion implantation (Pl sup 3) and radio frequency (RF) plasma nitriding, for mass transfer of nitrogen into the surface of the work piece. This article presents the results obtained from an in depth investigation of the surface morphology of the treated samples, carried out using an atomic force microscope. Samples from a microalloyed steel, were treated by both methods for 5 hours at different temperatures ranging from 350 to 550 sup d eg sup C in 75% N sub 2 -25% H sub 2 atmosphere. It has been found that the surface of the samples treated by PI sup 3 technique, although having more favorable properties, were rougher than the surfaces treated by RF plasma nitriding.

  4. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

    Science.gov (United States)

    López-Moreno, S.; Romero, A. H.

    2015-04-01

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

  5. Surface diffusion coefficient of Au atoms on single layer graphene grown on Cu

    Energy Technology Data Exchange (ETDEWEB)

    Ruffino, F., E-mail: francesco.ruffino@ct.infn.it; Cacciato, G.; Grimaldi, M. G. [Dipartimento di Fisica ed Astronomia-Universitá di Catania, via S. Sofia 64, 95123 Catania, Italy and MATIS IMM-CNR, via S. Sofia 64, 95123 Catania (Italy)

    2014-02-28

    A 5 nm thick Au film was deposited on single layer graphene sheets grown on Cu. By thermal processes, the dewetting phenomenon of the Au film on the graphene was induced so to form Au nanoparticles. The mean radius, surface-to-surface distance, and surface density evolution of the nanoparticles on the graphene sheets as a function of the annealing temperature were quantified by scanning electron microscopy analyses. These quantitative data were analyzed within the classical mean-field nucleation theory so to obtain the temperature-dependent Au atoms surface diffusion coefficient on graphene: D{sub S}(T)=[(8.2±0.6)×10{sup −8}]exp[−(0.31±0.02(eV)/(at) )/kT] cm{sup 2}/s.

  6. Method for atmospheric pressure reactive atom plasma processing for surface modification

    Science.gov (United States)

    Carr, Jeffrey W [Livermore, CA

    2009-09-22

    Reactive atom plasma processing can be used to shape, polish, planarize and clean the surfaces of difficult materials with minimal subsurface damage. The apparatus and methods use a plasma torch, such as a conventional ICP torch. The workpiece and plasma torch are moved with respect to each other, whether by translating and/or rotating the workpiece, the plasma, or both. The plasma discharge from the torch can be used to shape, planarize, polish, and/or clean the surface of the workpiece, as well as to thin the workpiece. The processing may cause minimal or no damage to the workpiece underneath the surface, and may involve removing material from the surface of the workpiece.

  7. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

    International Nuclear Information System (INIS)

    López-Moreno, S.; Romero, A. H.

    2015-01-01

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O 2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered

  8. Surface kinetic roughening caused by dental erosion: An atomic force microscopy study

    Science.gov (United States)

    Quartarone, Eliana; Mustarelli, Piercarlo; Poggio, Claudio; Lombardini, Marco

    2008-05-01

    Surface kinetic roughening takes place both in case of growth and erosion processes. Teeth surfaces are eroded by contact with acid drinks, such as those used to supplement mineral salts during sporting activities. Calcium-phosphate based (CPP-ACP) pastes are known to reduce the erosion process, and to favour the enamel remineralization. In this study we used atomic force microscopy (AFM) to investigate the surface roughening during dental erosion, and the mechanisms at the basis of the protection role exerted by a commercial CPP-ACP paste. We found a statistically significant difference (p<0.01) in the roughness of surfaces exposed and not exposed to the acid solutions. The treatment with the CPP-ACP paste determined a statistically significant reduction of the roughness values. By interpreting the AFM results in terms of fractal scaling concepts and continuum stochastic equations, we showed that the protection mechanism of the paste depends on the chemical properties of the acid solution.

  9. The global distribution and dynamics of surface soil moisture

    Science.gov (United States)

    McColl, Kaighin A.; Alemohammad, Seyed Hamed; Akbar, Ruzbeh; Konings, Alexandra G.; Yueh, Simon; Entekhabi, Dara

    2017-01-01

    Surface soil moisture has a direct impact on food security, human health and ecosystem function. It also plays a key role in the climate system, and the development and persistence of extreme weather events such as droughts, floods and heatwaves. However, sparse and uneven observations have made it difficult to quantify the global distribution and dynamics of surface soil moisture. Here we introduce a metric of soil moisture memory and use a full year of global observations from NASA's Soil Moisture Active Passive mission to show that surface soil moisture--a storage believed to make up less than 0.001% of the global freshwater budget by volume, and equivalent to an, on average, 8-mm thin layer of water covering all land surfaces--plays a significant role in the water cycle. Specifically, we find that surface soil moisture retains a median 14% of precipitation falling on land after three days. Furthermore, the retained fraction of the surface soil moisture storage after three days is highest over arid regions, and in regions where drainage to groundwater storage is lowest. We conclude that lower groundwater storage in these regions is due not only to lower precipitation, but also to the complex partitioning of the water cycle by the surface soil moisture storage layer at the land surface.

  10. Deposition of O atomic layers on Si(100) substrates for epitaxial Si-O superlattices: investigation of the surface chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Jayachandran, Suseendran, E-mail: suseendran.jayachandran@imec.be [KU Leuven, Department of Metallurgy and Materials, Castle Arenberg 44, B-3001 Leuven (Belgium); IMEC, Kapeldreef 75, 3001 Leuven (Belgium); Delabie, Annelies; Billen, Arne [KU Leuven, Department of Chemistry, Celestijnenlaan 200F, B-3001 Leuven (Belgium); IMEC, Kapeldreef 75, 3001 Leuven (Belgium); Dekkers, Harold; Douhard, Bastien; Conard, Thierry; Meersschaut, Johan; Caymax, Matty [IMEC, Kapeldreef 75, 3001 Leuven (Belgium); Vandervorst, Wilfried [KU Leuven, Department of Physics and Astronomy, Celestijnenlaan 200D, B-3001 Leuven (Belgium); IMEC, Kapeldreef 75, 3001 Leuven (Belgium); Heyns, Marc [KU Leuven, Department of Metallurgy and Materials, Castle Arenberg 44, B-3001 Leuven (Belgium); IMEC, Kapeldreef 75, 3001 Leuven (Belgium)

    2015-01-01

    Highlights: • Atomic layer is deposited by O{sub 3} chemisorption reaction on H-terminated Si(100). • O-content has critical impact on the epitaxial thickness of the above-deposited Si. • Oxygen atoms at dimer/back bond configurations enable epitaxial Si on O atomic layer. • Oxygen atoms at hydroxyl and more back bonds, disable epitaxial Si on O atomic layer. - Abstract: Epitaxial Si-O superlattices consist of alternating periods of crystalline Si layers and atomic layers of oxygen (O) with interesting electronic and optical properties. To understand the fundamentals of Si epitaxy on O atomic layers, we investigate the O surface species that can allow epitaxial Si chemical vapor deposition using silane. The surface reaction of ozone on H-terminated Si(100) is used for the O deposition. The oxygen content is controlled precisely at and near the atomic layer level and has a critical impact on the subsequent Si deposition. There exists only a small window of O-contents, i.e. 0.7–0.9 atomic layers, for which the epitaxial deposition of Si can be realized. At these low O-contents, the O atoms are incorporated in the Si-Si dimers or back bonds (-OSiH), with the surface Si atoms mainly in the 1+ oxidation state, as indicated by infrared spectroscopy. This surface enables epitaxial seeding of Si. For O-contents higher than one atomic layer, the additional O atoms are incorporated in the Si-Si back bonds as well as in the Si-H bonds, where hydroxyl groups (-Si-OH) are created. In this case, the Si deposition thereon becomes completely amorphous.

  11. Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

    Science.gov (United States)

    McBriarty, Martin E.

    Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.

  12. Surface effects on sputtered atoms and their angular and energy dependence

    International Nuclear Information System (INIS)

    Hassanein, A.M.

    1985-04-01

    A comprehensive three-dimensional Monte Carlo computer code, Ion Transport in Materials and Compounds (ITMC), has been developed to study in detail the surfaces related phenomena that affect the amount of sputtered atoms and back-scattered ions and their angular and energy dependence. A number of important factors that can significantly affect the sputtering behavior of a surface can be studied in detail, such as having different surface properties and composition than the bulk and synergistic effects due to surface segregation of alloys. These factors can be important in determining and lifetime of fusion reactor first walls and limiters. The ITMC Code is based on Monte Carlo methods to track down the path and the damage produced by charged particles as they slow down in solid metal surfaces or compounds. The major advantages of the ITMC code are its flexibility and ability to use and compare all existing models for energy losses, all known interatomic potentials, and to use different materials and compounds with different surface and bulk composition to allow for dynamic surface composition to allow for dynamic surface composition changes. There is good agreement between the code and available experimental results without using adjusting parameters for the energy losses mechanisms. The ITMC Code is highly optimized, very fast to run and easy to use

  13. Electronic spectral properties of surfaces and adsorbates and atom-adsorbate van der Waals interactions

    International Nuclear Information System (INIS)

    Lovric, D.; Gumhalter, B.

    1988-01-01

    The relevance of van der Waals interactions in the scattering of neutral atoms from adsorbates has been recently confirmed by highly sensitive molecular-beam techniques. The theoretical descriptions of the collision dynamics which followed the experimental studies have necessitated very careful qualitative and quantitative examinations and evaluations of the properties of atom-adsorbate van der Waals interactions for specific systems. In this work we present a microscopic calculation of the strengths and reference-plane positions for van der Waals potentials relevant for scattering of He atoms from CO adsorbed on various metallic substrates. In order to take into account the specificities of the polarization properties of real metals (noble and transition metals) and of chemisorbed CO, we first calculate the spectra of the electronic excitations characteristic of the respective electronic subsystems by using various data sources available and combine them with the existing theoretical models. The reliability of the calculated spectra is then verified in each particular case by universal sum rules which may be established for the electronic excitations of surfaces and adsorbates. The substrate and adsorbate polarization properties which derive from these calculations serve as input data for the evaluation of the strengths and reference-plane positions of van der Waals potentials whose computed values are tabulated for a number of real chemisorption systems. The implications of the obtained results are discussed in regard to the atom-adsorbate scattering cross sections pertinent to molecular-beam scattering experiments

  14. Self-diffusion dynamic behavior of atomic clusters on Re(0 0 0 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Liu Fusheng [Department of Applied Physics, Hunan University, Changsha 410082 (China); Hu Wangyu, E-mail: wangyuhu2001cn@yahoo.com.cn [Department of Applied Physics, Hunan University, Changsha 410082 (China); Deng Huiqiu; Luo Wenhua; Xiao Shifang [Department of Applied Physics, Hunan University, Changsha 410082 (China); Yang Jianyu [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China)

    2009-08-15

    Using molecular dynamics simulations and a modified analytic embedded atom potential, the self-diffusion dynamics of rhenium atomic clusters up to seven atoms on Re(0 0 0 1) surface have been studied in the temperature ranges from 600 K to 1900 K. The simulation time varies from 20 ns to 200 ns according to the cluster sizes and the temperature. The heptamer and trimer are more stable comparing to other neighboring non-compact clusters. The diffusion coefficients of clusters are derived from the mean square displacement of cluster's mass-center, and diffusion prefactors D{sub 0} and activation energies E{sub a} are derived from the Arrhenius relation. It is found that the Arrhenius relation of the adatom can be divided into two parts at different temperature range. The activation energy of clusters increases with the increasing of the atom number in clusters. The prefactor of the heptamer is 2-3 orders of magnitude higher than a usual prefactor because of a large number of nonequivalent diffusion processes. The trimer and heptamer are the nuclei at different temperature range according to the nucleation theory.

  15. Adsorption behavior of Fe atoms on a naphthalocyanine monolayer on Ag(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Linghao; Wu, Rongting; Bao, Deliang; Ren, Junhai; Zhang, Yanfang; Zhang, Haigang; Huang, Li; Wang, Yeliang; Du, Shixuan; Huan, Qing; Gao, Hong-Jun

    2015-05-29

    Adsorption behavior of Fe atoms on a metal-free naphthalocyanine (H2Nc) monolayer on Ag(111) surface at room temperature has been investigated using scanning tunneling microscopy combined with density functional theory (DFT) based calculations. We found that the Fe atoms adsorbed at the centers of H2Nc molecules and formed Fe-H2Nc complexes at low coverage. DFT calculations show that the configuration of Fe at the center of a molecule is the most stable site, in good agreement with the experimental observations. After an Fe-H2Nc complex monolayer was formed, the extra Fe atoms self-assembled to Fe clusters of uniform size and adsorbed dispersively at the interstitial positions of Fe-H2Nc complex monolayer. Furthermore, the H2Nc monolayer grown on Ag(111) could be a good template to grow dispersed magnetic metal atoms and clusters at room temperature for further investigation of their magnetism-related properties.

  16. A method for atomic-level noncontact thermometry with electron energy distribution

    Science.gov (United States)

    Kinoshita, Ikuo; Tsukada, Chiharu; Ouchi, Kohei; Kobayashi, Eiichi; Ishii, Juntaro

    2017-04-01

    We devised a new method of determining the temperatures of materials with their electron-energy distributions. The Fermi-Dirac distribution convoluted with a linear combination of Gaussian and Lorentzian distributions was fitted to the photoelectron spectrum measured for the Au(110) single-crystal surface at liquid N2-cooled temperature. The fitting successfully determined the surface-local thermodynamic temperature and the energy resolution simultaneously from the photoelectron spectrum, without any preliminary results of other measurements. The determined thermodynamic temperature was 99 ± 2.1 K, which was in good agreement with the reference temperature of 98.5 ± 0.5 K measured using a silicon diode sensor attached to the sample holder.

  17. Size Effects on Surface Elastic Waves in a Semi-Infinite Medium with Atomic Defect Generation

    Directory of Open Access Journals (Sweden)

    F. Mirzade

    2013-01-01

    Full Text Available The paper investigates small-scale effects on the Rayleigh-type surface wave propagation in an isotopic elastic half-space upon laser irradiation. Based on Eringen’s theory of nonlocal continuum mechanics, the basic equations of wave motion and laser-induced atomic defect dynamics are derived. Dispersion equation that governs the Rayleigh surface waves in the considered medium is derived and analyzed. Explicit expressions for phase velocity and attenuation (amplification coefficients which characterize surface waves are obtained. It is shown that if the generation rate is above the critical value, due to concentration-elastic instability, nanometer sized ordered concentration-strain structures on the surface or volume of solids arise. The spatial scale of these structures is proportional to the characteristic length of defect-atom interaction and increases with the increase of the temperature of the medium. The critical value of the pump parameter is directly proportional to recombination rate and inversely proportional to deformational potentials of defects.

  18. Method for controlling a coolant liquid surface of cooling system instruments in an atomic power plant

    International Nuclear Information System (INIS)

    Monta, Kazuo.

    1974-01-01

    Object: To prevent coolant inventory within a cooling system loop in an atomic power plant from being varied depending on loads thereby relieving restriction of varied speed of coolant flow rate to lowering of a liquid surface due to short in coolant. Structure: Instruments such as a superheater, an evaporator, and the like, which constitute a cooling system loop in an atomic power plant, have a plurality of free liquid surface of coolant. Portions whose liquid surface is controlled and portions whose liquid surface is varied are adjusted in cross-sectional area so that the sum total of variation in coolant inventory in an instrument such as a superheater provided with an annulus portion in the center thereof and an inner cylindrical portion and a down-comer in the side thereof comes equal to that of variation in coolant inventory in an instrument such as an evaporator similar to the superheater. which is provided with an overflow pipe in its inner cylindrical portion or down-comer, thereby minimizing variation in coolant inventory of the entire coolant due to loads thus minimizing variation in varied speed of the coolant. (Kamimura, M.)

  19. Low temperature removal of surface oxides and hydrocarbons from Ge(100) using atomic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Walker, M., E-mail: m.walker@warwick.ac.uk; Tedder, M.S.; Palmer, J.D.; Mudd, J.J.; McConville, C.F.

    2016-08-30

    Highlights: • Preparation of a clean, well-ordered Ge(100) surface with atomic hydrogen. • Surface oxide layers removed by AHC at room temperature, but not hydrocarbons. • Increasing surface temperature during AHC dramatically improves efficiency. • AHC with the surface heated to 250 °C led to a near complete removal of contaminants. • (2 × 1) LEED pattern from IBA and AHC indicates asymmetric dimer reconstruction. - Abstract: Germanium is a group IV semiconductor with many current and potential applications in the modern semiconductor industry. Key to expanding the use of Ge is a reliable method for the removal of surface contamination, including oxides which are naturally formed during the exposure of Ge thin films to atmospheric conditions. A process for achieving this task at lower temperatures would be highly advantageous, where the underlying device architecture will not diffuse through the Ge film while also avoiding electronic damage induced by ion irradiation. Atomic hydrogen cleaning (AHC) offers a low-temperature, damage-free alternative to the common ion bombardment and annealing (IBA) technique which is widely employed. In this work, we demonstrate with X-ray photoelectron spectroscopy (XPS) that the AHC method is effective in removing surface oxides and hydrocarbons, yielding an almost completely clean surface when the AHC is conducted at a temperature of 250 °C. We compare the post-AHC cleanliness and (2 × 1) low energy electron diffraction (LEED) pattern to that obtained via IBA, where the sample is annealed at 600 °C. We also demonstrate that the combination of a sample temperature of 250 °C and atomic H dosing is required to clean the surface. Lower temperatures prove less effective in removal of the oxide layer and hydrocarbons, whilst annealing in ultra-high vacuum conditions only removes weakly bound hydrocarbons. Finally, we examine the subsequent H-termination of an IBA-cleaned sample using XPS, LEED and ultraviolet

  20. Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jun; Jiang, Bin; Guo, Hua, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

    2013-11-28

    A rigorous, general, and simple method to fit global and permutation invariant potential energy surfaces (PESs) using neural networks (NNs) is discussed. This so-called permutation invariant polynomial neural network (PIP-NN) method imposes permutation symmetry by using in its input a set of symmetry functions based on PIPs. For systems with more than three atoms, it is shown that the number of symmetry functions in the input vector needs to be larger than the number of internal coordinates in order to include both the primary and secondary invariant polynomials. This PIP-NN method is successfully demonstrated in three atom-triatomic reactive systems, resulting in full-dimensional global PESs with average errors on the order of meV. These PESs are used in full-dimensional quantum dynamical calculations.

  1. On the theory of diffraction of Maxwellian atomic beams by solid surfaces

    International Nuclear Information System (INIS)

    Goodman, F.O.

    1976-01-01

    In the context of diffraction of Maxwellian (thermal) atomic beams by solid surfaces, the usual assumption that the angular position of the maximum in a diffracted beam corresponds to the diffraction angle of atoms with the most probable de Broglie wavelength is examined, and compared with other possible criteria and with the correct result. It is concluded that, although this criterion may be the best simple one available, it is certainly bad in some situations; the reasons why, and the conditions under which, it is expected to be good are discussed. Also, it is shown that considerable care must be taken when shapes of diffracted beams and when angular positions of their maxima are calculated, because certain physical effects (which are always present) may change these shapes and positions in unexpected ways. The theory is compared with two sets of relatively modern experimental data, one set for which the fit is good, and another set for which a fit is impossible

  2. Self-cleaning and surface chemical reactions during hafnium dioxide atomic layer deposition on indium arsenide.

    Science.gov (United States)

    Timm, Rainer; Head, Ashley R; Yngman, Sofie; Knutsson, Johan V; Hjort, Martin; McKibbin, Sarah R; Troian, Andrea; Persson, Olof; Urpelainen, Samuli; Knudsen, Jan; Schnadt, Joachim; Mikkelsen, Anders

    2018-04-12

    Atomic layer deposition (ALD) enables the ultrathin high-quality oxide layers that are central to all modern metal-oxide-semiconductor circuits. Crucial to achieving superior device performance are the chemical reactions during the first deposition cycle, which could ultimately result in atomic-scale perfection of the semiconductor-oxide interface. Here, we directly observe the chemical reactions at the surface during the first cycle of hafnium dioxide deposition on indium arsenide under realistic synthesis conditions using photoelectron spectroscopy. We find that the widely used ligand exchange model of the ALD process for the removal of native oxide on the semiconductor and the simultaneous formation of the first hafnium dioxide layer must be significantly revised. Our study provides substantial evidence that the efficiency of the self-cleaning process and the quality of the resulting semiconductor-oxide interface can be controlled by the molecular adsorption process of the ALD precursors, rather than the subsequent oxide formation.

  3. Quasi-elastic helium-atom scattering from surfaces: experiment and interpretation

    International Nuclear Information System (INIS)

    Jardine, A.P.; Ellis, J.; Allison, W.

    2002-01-01

    Diffusion of an adsorbate is affected both by the adiabatic potential energy surface in which the adsorbate moves and by the rate of thermal coupling between the adsorbate and substrate. In principle both factors are amenable to investigation through quasi-elastic broadening in the energy spread of a probing beam of helium atoms. This review provides a topical summary of both the quasi-elastic helium-atom scattering technique and the available data in relation to the determination of diffusion parameters. In particular, we discuss the activation barriers deduced from experiment and their relation to the adiabatic potential and the central role played by the friction parameter, using the CO/Cu(001) system as a case study. The main issues to emerge are the need for detailed molecular dynamics simulations in the interpretation of data and the desirability of significantly greater energy resolution in the experiments themselves. (author)

  4. Ultrafast terahertz control of extreme tunnel currents through single atoms on a silicon surface

    DEFF Research Database (Denmark)

    Jelic, Vedran; Iwaszczuk, Krzysztof; Nguyen, Peter H.

    2017-01-01

    scanning tunnelling microscopy (THz-STM) in ultrahigh vacuum as a new platform for exploring ultrafast non-equilibrium tunnelling dynamics with atomic precision. Extreme terahertz-pulse-driven tunnel currents up to 10(7) times larger than steady-state currents in conventional STM are used to image...... terahertz-induced band bending and non-equilibrium charging of surface states opens new conduction pathways to the bulk, enabling extreme transient tunnel currents to flow between the tip and sample.......Ultrafast control of current on the atomic scale is essential for future innovations in nanoelectronics. Extremely localized transient electric fields on the nanoscale can be achieved by coupling picosecond duration terahertz pulses to metallic nanostructures. Here, we demonstrate terahertz...

  5. Influence of the atomic force microscope tip on the multifractal analysis of rough surfaces

    International Nuclear Information System (INIS)

    Klapetek, Petr; Ohlidal, Ivan; Bilek, Jindrich

    2004-01-01

    In this paper, the influence of atomic force microscope tip on the multifractal analysis of rough surfaces is discussed. This analysis is based on two methods, i.e. on the correlation function method and the wavelet transform modulus maxima method. The principles of both methods are briefly described. Both methods are applied to simulated rough surfaces (simulation is performed by the spectral synthesis method). It is shown that the finite dimensions of the microscope tip misrepresent the values of the quantities expressing the multifractal analysis of rough surfaces within both the methods. Thus, it was concretely shown that the influence of the finite dimensions of the microscope tip changed mono-fractal properties of simulated rough surface to multifractal ones. Further, it is shown that a surface reconstruction method developed for removing the negative influence of the microscope tip does not improve the results obtained in a substantial way. The theoretical procedures concerning both the methods, i.e. the correlation function method and the wavelet transform modulus maxima method, are illustrated for the multifractal analysis of randomly rough gallium arsenide surfaces prepared by means of the thermal oxidation of smooth gallium arsenide surfaces and subsequent dissolution of the oxide films

  6. Nonlinear dynamic response of cantilever beam tip during atomic force microscopy (AFM) nanolithography of copper surface

    International Nuclear Information System (INIS)

    Yeh, Y-L; Jang, M-J; Wang, C-C; Lin, Y-P; Chen, K-S

    2008-01-01

    This paper investigates the nonlinear dynamic response of an atomic force microscope (AFM) cantilever beam tip during the nanolithography of a copper (Cu) surface using a high-depth feed. The dynamic motion of the tip is modeled using a combined approach based on Newton's law and empirical observations. The cutting force is determined from experimental observations of the piling height on the Cu surface and the rotation angle of the cantilever beam tip. It is found that the piling height increases linearly with the cantilever beam carrier velocity. Furthermore, the cantilever beam tip is found to execute a saw tooth motion. Both this motion and the shear cutting force are nonlinear. The elastic modulus in the y direction is variable. Finally, the velocity of the cantilever beam tip as it traverses the specimen surface has a discrete characteristic rather than a smooth, continuous profile

  7. Direct observation of deformation of nafion surfaces induced by methanol treatment by using atomic force microscopy

    International Nuclear Information System (INIS)

    Umemura, Kazuo; Kuroda, Reiko; Gao Yanfeng; Nagai, Masayuki; Maeda, Yuta

    2008-01-01

    We successfully characterized the effect of methanol treatment on the nanoscopic structures of a nafion film, which is widely used in direct methanol fuel cells (DMFCs). Atomic force microscopy (AFM) was used to repetitively image a particular region of a nafion sample before and after methanol solutions were dropped onto the nafion film and dried in air. When the surface was treated with 20% methanol for 5 min, many nanopores appeared on the surface. The number of nanopores increased when the sample was treated twice or thrice. By repetitive AFM imaging of a particular region of the same sample, we found that the shapes of the nanopores were deformed by the repeated methanol treatment, although the size of the nanopores had not significantly changed. The creation of the nanopores was affected by the concentration of methanol. Our results directly visualized the effects of methanol treatment on the surface structures of a nafion film at nanoscale levels for the first time

  8. Imprints from the solar cycle on the helium atom and helium pickup ion distributions

    Directory of Open Access Journals (Sweden)

    D. Rucinski

    Full Text Available Neutral interstellar helium atoms penetrate into the solar system almost unaffected by gas–plasma interactions in the heliospheric interface region, and thus can be considered as carriers of original information on the basic parameters (like density, temperature, bulk velocity of the Very Local Interstellar Medium (VLISM. Such information can nowadays be derived from analysis of data obtained from different experimental methods: in situ measurements of He atoms (Ulysses, observations of the solar backscattered He 584 A radiation (EUVE, in situ measurements of He + pickup ions (AMPTE, Ulysses, Wind, SOHO, ACE. In view of the current coordinated international ISSI campaign devoted to the study of the helium focusing cone structure and its evolution, we analyze expected variations of neutral He density, of He + pickup fluxes and of their phase space distributions at various phases of the solar activity cycle based on a realistic time-dependent modelling of the neutral helium and He + pickup ion distributions, which reflect solar cycle-induced variations of the photoionization rate. We show that the neutral helium density values are generally anticorrelated with the solar activity phase and in extreme cases (near the downwind axis the maximum-to-minimum density ratio may even exceed factors of ~ 3 at 1 AU. We also demonstrate that in the upwind hemisphere (at 1 AU and beyond the He + fluxes are correlated with the solar cycle activity, whereas on the downwind side the maximum of the expected flux up to distances of ~ 3 AU occurs around solar minimum epoch, and only further away does the correlation with solar activity become positive. Finally, we present the response of the phase space distribution spectra of He + pickup ions (in the solar wind frame for different epochs of the solar cycle and heliocentric distances from 1 to 5 AU covering the range of Ulysses, Wind and ACE observations.

    Key words. Solar physics, astrophysics and astronomy

  9. Imprints from the solar cycle on the helium atom and helium pickup ion distributions

    Directory of Open Access Journals (Sweden)

    D. Rucinski

    2003-06-01

    Full Text Available Neutral interstellar helium atoms penetrate into the solar system almost unaffected by gas–plasma interactions in the heliospheric interface region, and thus can be considered as carriers of original information on the basic parameters (like density, temperature, bulk velocity of the Very Local Interstellar Medium (VLISM. Such information can nowadays be derived from analysis of data obtained from different experimental methods: in situ measurements of He atoms (Ulysses, observations of the solar backscattered He 584 A radiation (EUVE, in situ measurements of He + pickup ions (AMPTE, Ulysses, Wind, SOHO, ACE. In view of the current coordinated international ISSI campaign devoted to the study of the helium focusing cone structure and its evolution, we analyze expected variations of neutral He density, of He + pickup fluxes and of their phase space distributions at various phases of the solar activity cycle based on a realistic time-dependent modelling of the neutral helium and He + pickup ion distributions, which reflect solar cycle-induced variations of the photoionization rate. We show that the neutral helium density values are generally anticorrelated with the solar activity phase and in extreme cases (near the downwind axis the maximum-to-minimum density ratio may even exceed factors of ~ 3 at 1 AU. We also demonstrate that in the upwind hemisphere (at 1 AU and beyond the He + fluxes are correlated with the solar cycle activity, whereas on the downwind side the maximum of the expected flux up to distances of ~ 3 AU occurs around solar minimum epoch, and only further away does the correlation with solar activity become positive. Finally, we present the response of the phase space distribution spectra of He + pickup ions (in the solar wind frame for different epochs of the solar cycle and heliocentric distances from 1 to 5 AU covering the range of Ulysses, Wind and ACE observations.Key words. Solar physics, astrophysics and astronomy

  10. Single-mode surface plasmon distributed feedback lasers.

    Science.gov (United States)

    Karami Keshmarzi, Elham; Tait, R Niall; Berini, Pierre

    2018-03-29

    Single-mode surface plasmon distributed feedback (DFB) lasers are realized in the near infrared using a two-dimensional non-uniform long-range surface plasmon polariton structure. The surface plasmon mode is excited onto a 20 nm-thick, 1 μm-wide metal stripe (Ag or Au) on a silica substrate, where the stripe is stepped in width periodically, forming a 1st order Bragg grating. Optical gain is provided by optically pumping a 450 nm-thick IR-140 doped PMMA layer as the top cladding, which covers the entire length of the Bragg grating, thus creating a DFB laser. Single-mode lasing peaks of very narrow linewidth were observed for Ag and Au DFBs near 882 nm at room temperature. The narrow linewidths are explained by the low spontaneous emission rate into the surface plasmon lasing mode as well as the high quality factor of the DFB structure. The lasing emission is exclusively TM polarized. Kinks in light-light curves accompanied by spectrum narrowing were observed, from which threshold pump power densities can be clearly identified (0.78 MW cm-2 and 1.04 MW cm-2 for Ag and Au DFB lasers, respectively). The Schawlow-Townes linewidth for our Ag and Au DFB lasers is estimated and very narrow linewidths are predicted for the lasers. The lasers are suitable as inexpensive, recyclable and highly coherent sources of surface plasmons, or for integration with other surface plasmon elements of similar structure.

  11. Change of Cr atoms distribution in Fe85Cr15 alloy caused by 250 keV He+ ion irradiation to different doses

    International Nuclear Information System (INIS)

    Dubiel, S.M.; Żukrowski, J.

    2015-01-01

    Highlights: • Effect of He-ion irradiation dose on Fe 85 Cr 15 alloy. • Irradiation-induced clustering of Cr atoms. • Irradiation-caused reorientation of the surface magnetization vector. • Irradiation-caused increase of Fe-site spin-density. - Abstract: Redistribution of Cr atoms in a Fe 85 Cr 15 alloy caused by its irradiation with 250 keV He + ions to different doses, D = 8 ⋅ 10 16 , 16 ⋅ 10 16 and 48 ⋅ 10 16 ions/cm 2 was investigated by means of conversion electrons Mössbauer spectroscopy. The redistribution was expressed in terms of the Warren–Cowley short-range order parameters α 1 , α 2 and α 12 pertaining to the first (1NN), second (2NN) and both i.e. 1NN + 2NN shells, respectively. Clear evidence was found, both for non-irradiated and irradiated samples that the actual distribution of Cr atoms is characteristic of the shell, and for a given shell it depends on the irradiation dose. In particular, α 1 is positive, hence indicates an under population of Cr atoms in 1NN with respect to the random case, α 2 is negative, giving evidence thereby that 2NN is overpopulated by Cr atoms, and α 12 is weakly positive. Under the applied irradiation the number of Cr atoms in both neighbor shells decreased signifying thereby a clustering of Cr atoms. The underlying decrease of Cr concentration within the 1NN–2NN volume around the probe Fe atoms was estimated at 1.5 at.% ranging between 2.1 for the lowest and 0.8 at.% for the highest dose

  12. Reconstruction of the Tip-Surface Interaction Potential by Analysis of the Brownian Motion of an Atomic Force Microscope Tip

    NARCIS (Netherlands)

    Willemsen, O.H.; Kuipers, L.; van der Werf, Kees; de Grooth, B.G.; Greve, Jan

    2000-01-01

    The thermal movement of an atomic force microscope (AFM) tip is used to reconstruct the tip-surface interaction potential. If a tip is brought into the vicinity of a surface, its movement is governed by the sum of the harmonic cantilever potential and the tip-surface interaction potential. By

  13. Charge-state distribution in close collisions of 3 MeV C2+ ions with Ag and Au atoms

    NARCIS (Netherlands)

    Boerma, D.O; Arnoldbik, W.M.; Kabachnik, N.M.; Khodyrev, V.A.

    The charge-state distributions of 3 MeV carbon ions scattered over angles of 40 degrees and 60 degrees from sub-monolayers of Ag and Au atoms evaporated on a substrate and from thick layers of Ag and Au have been measured. A close similarity of the charge distributions in all cases is interpreted as

  14. Evaluation of protein adsorption onto a polyurethane nanofiber surface having different segment distributions

    Energy Technology Data Exchange (ETDEWEB)

    Morita, Yuko; Koizumi, Gaku [Frontier Fiber Technology and Science, Graduate School of Engineering, University of Fukui (Japan); Sakamoto, Hiroaki, E-mail: hi-saka@u-fukui.ac.jp [Tenure-Track Program for Innovative Research, University of Fukui (Japan); Suye, Shin-ichiro [Frontier Fiber Technology and Science, Graduate School of Engineering, University of Fukui (Japan)

    2017-02-01

    Electrospinning is well known to be an effective method for fabricating polymeric nanofibers with a diameter of several hundred nanometers. Recently, the molecular-level orientation within nanofibers has attracted particular attention. Previously, we used atomic force microscopy to visualize the phase separation between soft and hard segments of a polyurethane (PU) nanofiber surface prepared by electrospinning. The unstretched PU nanofibers exhibited irregularly distributed hard segments, whereas hard segments of stretched nanofibers prepared with a high-speed collector exhibited periodic structures along the long-axis direction. PU was originally used to inhibit protein adsorption, but because the surface segment distribution was changed in the stretched nanofiber, here, we hypothesized that the protein adsorption property on the stretched nanofiber might be affected. We investigated protein adsorption onto PU nanofibers to elucidate the effects of segment distribution on the surface properties of PU nanofibers. The amount of adsorbed protein on stretched PU nanofibers was increased compared with that of unstretched nanofibers. These results indicate that the hard segment alignment on stretched PU nanofibers mediated protein adsorption. It is therefore expected that the amount of protein adsorption can be controlled by rotation of the collector. - Highlights: • The hard segments of stretched PU nanofibers exhibit periodic structures. • The adsorbed protein on stretched PU nanofibers was increased compared with PU film. • The hard segment alignment on stretched PU nanofibers mediated protein adsorption.

  15. Study on Droplet Size and Velocity Distributions of a Pressure Swirl Atomizer Based on the Maximum Entropy Formalism

    Directory of Open Access Journals (Sweden)

    Kai Yan

    2015-01-01

    Full Text Available A predictive model for droplet size and velocity distributions of a pressure swirl atomizer has been proposed based on the maximum entropy formalism (MEF. The constraint conditions of the MEF model include the conservation laws of mass, momentum, and energy. The effects of liquid swirling strength, Weber number, gas-to-liquid axial velocity ratio and gas-to-liquid density ratio on the droplet size and velocity distributions of a pressure swirl atomizer are investigated. Results show that model based on maximum entropy formalism works well to predict droplet size and velocity distributions under different spray conditions. Liquid swirling strength, Weber number, gas-to-liquid axial velocity ratio and gas-to-liquid density ratio have different effects on droplet size and velocity distributions of a pressure swirl atomizer.

  16. A Monte Carlo simulation of the exchange reaction between gaseous molecules and the atoms on a heterogeneous solid surface

    International Nuclear Information System (INIS)

    Imai, Hisao

    1980-01-01

    A method of the Monte Carlo simulation of the isotopic exchange reaction between gaseous molecules and the atoms on an arbitrarily heterogeneous solid surface is described by employing hydrogen as an example. (author)

  17. Collective migration of adsorbed atoms on a solid surface in the laser radiation field

    International Nuclear Information System (INIS)

    Andreev, V V; Ignat'ev, D V; Telegin, Gennadii G

    2004-01-01

    The lateral (in the substrate plane) interaction between dipoles induced in particles adsorbed on a solid surface is studied in a comparatively weak laser radiation field with a Gaussian transverse distribution. It is shown that the particles migrate over the surface in the radial direction either outside an illuminated spot with the formation of a 'crater' or inside the spot with the formation of a 'mound'. (interaction of laser radiation with matter. laser plasma)

  18. Surface modification of nanodiamond through metal free atom transfer radical polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Guangjian; Liu, Meiying; Shi, Kexin; Heng, Chunning; Mao, Liucheng; Wan, Qing; Huang, Hongye [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Deng, Fengjie, E-mail: fengjiedeng@aliyun.com [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Zhang, Xiaoyong, E-mail: xiaoyongzhang1980@gmail.com [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Wei, Yen, E-mail: weiyen@tsinghua.edu.cn [Department of Chemistry and the Tsinghua Center for Frontier Polymer Research, Tsinghua University, Beijing, 100084 (China)

    2016-12-30

    Highlights: • Surface modification of ND with water soluble and biocompatible polymers. • Functionalized ND through metal free surface initiated ATRP. • The metal free surface initiated ATRP is rather simple and effective. • The ND-poly(MPC) showed high dispersibility and desirable biocompatibility. - Abstract: Surface modification of nanodiamond (ND) with poly(2-methacryloyloxyethyl phosphorylcholine) [poly(MPC)] has been achieved by using metal free surface initiated atom transfer radical polymerization (SI-ATRP). The ATRP initiator was first immobilized on the surface of ND through direct esterification reaction between hydroxyl group of ND and 2-bromoisobutyryl bromide. The initiator could be employed to obtain ND-poly(MPC) nanocomposites through SI-ATRP using an organic catalyst. The final functional materials were characterized by {sup 1}H nuclear magnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and thermo gravimetric analysis in detailed. All of these characterization results demonstrated that ND-poly(MPC) have been successfully obtained via metal free photo-initiated SI-ATRP. The ND-poly(MPC) nanocomposites shown enhanced dispersibility in various solvents as well as excellent biocompatibility. As compared with traditional ATRP, the metal free ATRP is rather simple and effective. More importantly, this preparation method avoided the negative influence of metal catalysts. Therefore, the method described in this work should be a promising strategy for fabrication of polymeric nanocomposites with great potential for different applications especially in biomedical fields.

  19. Following the surface response of caffeine cocrystals to controlled humidity storage by atomic force microscopy.

    Science.gov (United States)

    Cassidy, A M C; Gardner, C E; Jones, W

    2009-09-08

    Active pharmaceutical ingredient (API) stability in solid state tablet formulation is frequently a function of the relative humidity (RH) environment in which the drug is stored. Caffeine is one such problematic API. Previously reported caffeine cocrystals, however, were found to offer increased resistance to caffeine hydrate formation. Here we report on the use of atomic force microscopy (AFM) to image the surface of two caffeine cocrystal systems to look for differences between the surface and bulk response of the cocrystal to storage in controlled humidity environments. Bulk responses have previously been assessed by powder X-ray diffraction. With AFM, pinning sites were identified at step edges on caffeine/oxalic acid, with these sites leading to non-uniform step movement on going from ambient to 0% RH. At RH >75%, areas of fresh crystal growth were seen on the cocrystal surface. In the case of caffeine/malonic acid the cocrystals were observed to absorb water anisotropically after storage at 75% RH for 2 days, affecting the surface topography of the cocrystal. These results show that AFM expands on the data gathered by bulk analytical techniques, such as powder X-ray diffraction, by providing localised surface information. This surface information may be important for better predicting API stability in isolation and at a solid state API-excipient interface.

  20. Surface modification of nanodiamond through metal free atom transfer radical polymerization

    International Nuclear Information System (INIS)

    Zeng, Guangjian; Liu, Meiying; Shi, Kexin; Heng, Chunning; Mao, Liucheng; Wan, Qing; Huang, Hongye; Deng, Fengjie; Zhang, Xiaoyong; Wei, Yen

    2016-01-01

    Highlights: • Surface modification of ND with water soluble and biocompatible polymers. • Functionalized ND through metal free surface initiated ATRP. • The metal free surface initiated ATRP is rather simple and effective. • The ND-poly(MPC) showed high dispersibility and desirable biocompatibility. - Abstract: Surface modification of nanodiamond (ND) with poly(2-methacryloyloxyethyl phosphorylcholine) [poly(MPC)] has been achieved by using metal free surface initiated atom transfer radical polymerization (SI-ATRP). The ATRP initiator was first immobilized on the surface of ND through direct esterification reaction between hydroxyl group of ND and 2-bromoisobutyryl bromide. The initiator could be employed to obtain ND-poly(MPC) nanocomposites through SI-ATRP using an organic catalyst. The final functional materials were characterized by 1 H nuclear magnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and thermo gravimetric analysis in detailed. All of these characterization results demonstrated that ND-poly(MPC) have been successfully obtained via metal free photo-initiated SI-ATRP. The ND-poly(MPC) nanocomposites shown enhanced dispersibility in various solvents as well as excellent biocompatibility. As compared with traditional ATRP, the metal free ATRP is rather simple and effective. More importantly, this preparation method avoided the negative influence of metal catalysts. Therefore, the method described in this work should be a promising strategy for fabrication of polymeric nanocomposites with great potential for different applications especially in biomedical fields.

  1. In situ measurement of fixed charge evolution at silicon surfaces during atomic layer deposition

    International Nuclear Information System (INIS)

    Ju, Ling; Watt, Morgan R.; Strandwitz, Nicholas C.

    2015-01-01

    Interfacial fixed charge or interfacial dipoles are present at many semiconductor-dielectric interfaces and have important effects upon device behavior, yet the chemical origins of these electrostatic phenomena are not fully understood. We report the measurement of changes in Si channel conduction in situ during atomic layer deposition (ALD) of aluminum oxide using trimethylaluminum and water to probe changes in surface electrostatics. Current-voltage data were acquired continually before, during, and after the self-limiting chemical reactions that result in film growth. Our measurements indicated an increase in conductance on p-type samples with p + ohmic contacts and a decrease in conductance on analogous n-type samples. Further, p + contacted samples with n-type channels exhibited an increase in measured current and n + contacted p-type samples exhibited a decrease in current under applied voltage. Device physics simulations, where a fixed surface charge was parameterized on the channel surface, connect the surface charge to changes in current-voltage behavior. The simulations and analogous analytical relationships for near-surface conductance were used to explain the experimental results. Specifically, the changes in current-voltage behavior can be attributed to the formation of a fixed negative charge or the modification of a surface dipole upon chemisorption of trimethylaluminum. These measurements allow for the observation of fixed charge or dipole formation during ALD and provide further insight into the electrostatic behavior at semiconductor-dielectric interfaces during film nucleation

  2. The conditions for total reflection of low-energy atoms from crystal surfaces

    International Nuclear Information System (INIS)

    Hou, M.; Robinson, M.T.

    1978-01-01

    The critical angles for the total reflection of low-energy particles from Cu rows and (001) planes have been investigated, using the binary collision approximation computer simulation code MARLOWE Breakthrough angles were evaluated for H, N, Ne, Ar, Cu, Xe, and Au in the energy range from 0.1 to 7.5 keV. In both the axial and the planar cases, recoiling of the target atoms lowers the energy barrier which the target surface presents to the heavy projectiles. Consequently, the breakthrough angles are reduced for heavy projectiles below the values expected either from observations on light projectiles or from analytical channeling theory. (orig.) [de

  3. Correlating yeast cell stress physiology to changes in the cell surface morphology: atomic force microscopic studies.

    Science.gov (United States)

    Canetta, Elisabetta; Walker, Graeme M; Adya, Ashok K

    2006-07-06

    Atomic Force Microscopy (AFM) has emerged as a powerful biophysical tool in biotechnology and medicine to investigate the morphological, physical, and mechanical properties of yeasts and other biological systems. However, properties such as, yeasts' response to environmental stresses, metabolic activities of pathogenic yeasts, cell-cell/cell-substrate adhesion, and cell-flocculation have rarely been investigated so far by using biophysical tools. Our recent results obtained by AFM on one strain each of Saccharomyces cerevisiae and Schizosaccharomyces pombe show a clear correlation between the physiology of environmentally stressed yeasts and the changes in their surface morphology. The future directions of the AFM related techniques in relation to yeasts are also discussed.

  4. Atomic force microscopy-based repeated machining theory for nanochannels on silicon oxide surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Z.Q., E-mail: wangzhiqian@sia.cn [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100049 (China); Jiao, N.D. [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China); Tung, S. [Department of Mechanical Engineering, University of Arkansas, Fayetteville, AR 72701 (United States); Dong, Z.L. [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China)

    2011-02-01

    The atomic force microscopy (AFM)-based repeated nanomachining of nanochannels on silicon oxide surfaces is investigated both theoretically and experimentally. The relationships of the initial nanochannel depth vs. final nanochannel depth at a normal force are systematically studied. Using the derived theory and simulation results, the final nanochannel depth can be predicted easily. Meanwhile, if a nanochannel with an expected depth needs to be machined, a right normal force can be selected simply and easily in order to decrease the wear of the AFM tip. The theoretical analysis and simulation results can be effectively used for AFM-based fabrication of nanochannels.

  5. Osmium Atoms and Os2 Molecules Move Faster on Selenium-Doped Compared to Sulfur-Doped Boronic Graphenic Surfaces.

    Science.gov (United States)

    Barry, Nicolas P E; Pitto-Barry, Anaïs; Tran, Johanna; Spencer, Simon E F; Johansen, Adam M; Sanchez, Ana M; Dove, Andrew P; O'Reilly, Rachel K; Deeth, Robert J; Beanland, Richard; Sadler, Peter J

    2015-07-28

    We deposited Os atoms on S- and Se-doped boronic graphenic surfaces by electron bombardment of micelles containing 16e complexes [Os(p-cymene)(1,2-dicarba-closo-dodecarborane-1,2-diselenate/dithiolate)] encapsulated in a triblock copolymer. The surfaces were characterized by energy-dispersive X-ray (EDX) analysis and electron energy loss spectroscopy of energy filtered TEM (EFTEM). Os atoms moved ca. 26× faster on the B/Se surface compared to the B/S surface (233 ± 34 pm·s(-1) versus 8.9 ± 1.9 pm·s(-1)). Os atoms formed dimers with an average Os-Os distance of 0.284 ± 0.077 nm on the B/Se surface and 0.243 ± 0.059 nm on B/S, close to that in metallic Os. The Os2 molecules moved 0.83× and 0.65× more slowly than single Os atoms on B/S and B/Se surfaces, respectively, and again markedly faster (ca. 20×) on the B/Se surface (151 ± 45 pm·s(-1) versus 7.4 ± 2.8 pm·s(-1)). Os atom motion did not follow Brownian motion and appears to involve anchoring sites, probably S and Se atoms. The ability to control the atomic motion of metal atoms and molecules on surfaces has potential for exploitation in nanodevices of the future.

  6. Angular distributions of atomic vapor stream produced by electron beam heating

    Energy Technology Data Exchange (ETDEWEB)

    Ohba, Hironori; Amekawa, Kazuhiro; Shibata, Takemasa [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1997-03-01

    The angular distributions were measured as a function of deposition rate for aluminium, copper, gadolinium and cerium vapor stream produced by an electron beam gun with water-cooled copper crucible. The distributions were recorded on the mounted on a semicircular (120mm in radius) mask over the evaporation source. The measured distributions were able to be described by a simple cosine law, that is cos{sup n} {theta}, except for the case of extremely high evaporation rate with a porous material, where n is a rate-dependent beaming exponent, {theta} is the angle from the vertical. For many kinds of evaporants, it was confirmed that the beaming exponents increase continuously from unity to 3 or 4 with increasing deposition rate and are approximately proportional to R{sup 0.25} where R is the deposition rate. Moreover, it was found that the beaming exponents n are able to be expressed as n = {alpha} Kn{sub 0}{sup -0.25}, where Kn{sub 0}{sup -1} is the inverse of Knudsen number, which is defined by the mean free path of evaporated atoms and the evaporation spot size, and {alpha} is the constant. (author)

  7. Angular distributions of atomic vapor stream produced by electron beam heating

    International Nuclear Information System (INIS)

    Ohba, Hironori; Amekawa, Kazuhiro; Shibata, Takemasa

    1997-03-01

    The angular distributions were measured as a function of deposition rate for aluminium, copper, gadolinium and cerium vapor stream produced by an electron beam gun with water-cooled copper crucible. The distributions were recorded on the mounted on a semicircular (120mm in radius) mask over the evaporation source. The measured distributions were able to be described by a simple cosine law, that is cos n θ, except for the case of extremely high evaporation rate with a porous material, where n is a rate-dependent beaming exponent, θ is the angle from the vertical. For many kinds of evaporants, it was confirmed that the beaming exponents increase continuously from unity to 3 or 4 with increasing deposition rate and are approximately proportional to R 0.25 where R is the deposition rate. Moreover, it was found that the beaming exponents n are able to be expressed as n = α Kn 0 -0.25 , where Kn 0 -1 is the inverse of Knudsen number, which is defined by the mean free path of evaporated atoms and the evaporation spot size, and α is the constant. (author)

  8. Atom-optics knife-edge: Measuring sub-nanokelvin momentum distributions

    Science.gov (United States)

    Ramos, Ramon; Spierings, David; Steinberg, Aephraim

    2017-04-01

    Temperatures below 1 nanokelvin have been achieved in the recent years, enabling new classes of experiments which benefit from the resulting long coherence times. This achievement comes hand in hand with the challenge of measuring such low temperatures. By employing the equivalent of a knife-edge measurement for matter-waves, we have been able to characterize ultra-low momentum widths. We measured a momentum width corresponding to an effective temperature of 900 +/- 200 pK, only limited by our cooling performance. We show that this technique compares favourably with more traditional methods, which would require expansion times of 100's of ms or frequency stability of 10's of Hz. Finally, we show that the effective knife-edge, created by a potential barrier, begins to become ''blunt'' due to tunneling for thin barriers, and we obtain quantitative agreement with a theoretical model. This method is a useful tool for atomic interferometry and other areas in ultracold atoms where a robust and precise technique for characterizing the momentum distribution is required.

  9. Effect of current and atomized grain size distribution on the solidification of Plasma Transferred Arc coatings

    Directory of Open Access Journals (Sweden)

    Danielle Bond

    2012-10-01

    Full Text Available Plasma Transferred Arc (PTA is the only thermal spray process that results in a metallurgical bond, being frequently described as a hardfacing process. The superior properties of coatings have been related to the fine microstructures obtained, which are finer than those processed under similar heat input with welding techniques using wire feedstock. This observation suggests that the atomized feedstock plays a role on the solidification of coatings. In this study a model for the role of the powders grains in the solidification of PTA coatings is put forward and discussed. An experiment was setup to discuss the model which involved the deposition of an atomized Co-based alloy with different grain size distributions and deposition currents. X ray diffraction showed that there were no phase changes due to the processing parameters. Microstructure analysis by Laser Confocal Microscopy, dilution with the substrate steel and Vickers microhardness were used the characterized coatings and enriched the discussion confirming the role of the powdered feedstock on the solidification of coatings.

  10. Electron-induced desorption of europium atoms from oxidized tungsten surface: concentration dependence of low-energy peak

    CERN Document Server

    Davydov, S Y

    2002-01-01

    One discusses nature of electron induced desorption of Eu sup 0 europium atoms under E sub e irradiating electron low-energies (approx 30 eV) and peculiarities of yield dependence of Eu sup 0 atoms on their concentration at oxidized tungsten surface. Primary act of vacancy origination in europium adatom inner 5p-shell turned to be the determining stage. Evaluations have shown that just the first of two possible scenarios of ionization (electron intra-atomic to Eu adatom external quasi-level or realise of knocked out electron into vacuum) leads to Eu sup 0 desorption. One determined concentration threshold for yield of Eu sup 0 atoms

  11. Matter density distribution in atomic nuclei as illuminated by high energy hadrons

    International Nuclear Information System (INIS)

    Strugalski, Z.

    1991-01-01

    The method is proposed for the intranuclear matter density distribution study by means of high energy strongly interacting probes. The newly recognized process - the passage of hadrons through atomic nuclei - is employed as the physical basis of the operational principle of the method; the passage is accompanied by the nucleon emission from the target nuclei. It seems that the hadronic projectile sees a definite number of nucleons at a definite impact parameter, in passing through the target nucleus, but the number of the protons among the nucleus seen fluctuates according the binomial formula; in average, this number corresponds to the neutron-proton ratio (A-Z0/Z. 21 refs.; 4 figs.; 1 tab

  12. A distributed, graphical user interface based, computer control system for atomic physics experiments.

    Science.gov (United States)

    Keshet, Aviv; Ketterle, Wolfgang

    2013-01-01

    Atomic physics experiments often require a complex sequence of precisely timed computer controlled events. This paper describes a distributed graphical user interface-based control system designed with such experiments in mind, which makes use of off-the-shelf output hardware from National Instruments. The software makes use of a client-server separation between a user interface for sequence design and a set of output hardware servers. Output hardware servers are designed to use standard National Instruments output cards, but the client-server nature should allow this to be extended to other output hardware. Output sequences running on multiple servers and output cards can be synchronized using a shared clock. By using a field programmable gate array-generated variable frequency clock, redundant buffers can be dramatically shortened, and a time resolution of 100 ns achieved over effectively arbitrary sequence lengths.

  13. A distributed, graphical user interface based, computer control system for atomic physics experiments

    Science.gov (United States)

    Keshet, Aviv; Ketterle, Wolfgang

    2013-01-01

    Atomic physics experiments often require a complex sequence of precisely timed computer controlled events. This paper describes a distributed graphical user interface-based control system designed with such experiments in mind, which makes use of off-the-shelf output hardware from National Instruments. The software makes use of a client-server separation between a user interface for sequence design and a set of output hardware servers. Output hardware servers are designed to use standard National Instruments output cards, but the client-server nature should allow this to be extended to other output hardware. Output sequences running on multiple servers and output cards can be synchronized using a shared clock. By using a field programmable gate array-generated variable frequency clock, redundant buffers can be dramatically shortened, and a time resolution of 100 ns achieved over effectively arbitrary sequence lengths.

  14. The extraction of liquid, protein molecules and yeast cells from paper through surface acoustic wave atomization.

    Science.gov (United States)

    Qi, Aisha; Yeo, Leslie; Friend, James; Ho, Jenny

    2010-02-21

    Paper has been proposed as an inexpensive and versatile carrier for microfluidics devices with abilities well beyond simple capillary action for pregnancy tests and the like. Unlike standard microfluidics devices, extracting a fluid from the paper is a challenge and a drawback to its broader use. Here, we extract fluid from narrow paper strips using surface acoustic wave (SAW) irradiation that subsequently atomizes the extracted fluid into a monodisperse aerosol for use in mass spectroscopy, medical diagnostics, and drug delivery applications. Two protein molecules, ovalbumin and bovine serum albumin (BSA), have been preserved in paper and then extracted using atomized mist through SAW excitation; protein electrophoresis shows there is less than 1% degradation of either protein molecule in this process. Finally, a solution of live yeast cells was infused into paper, which was subsequently dried for preservation then remoistened to extract the cells via SAW atomization, yielding live cells at the completion of the process. The successful preservation and extraction of fluids, proteins and yeast cells significantly expands the usefulness of paper in microfluidics.

  15. Visualization and automatic detection of defect distribution in GaN atomic structure from sampling Moiré phase.

    Science.gov (United States)

    Wang, Qinghua; Ri, Shien; Tsuda, Hiroshi; Kodera, Masako; Suguro, Kyoichi; Miyashita, Naoto

    2017-09-19

    Quantitative detection of defects in atomic structures is of great significance to evaluating product quality and exploring quality improvement process. In this study, a Fourier transform filtered sampling Moire technique was proposed to visualize and detect defects in atomic arrays in a large field of view. Defect distributions, defect numbers and defect densities could be visually and quantitatively determined from a single atomic structure image at low cost. The effectiveness of the proposed technique was verified from numerical simulations. As an application, the dislocation distributions in a GaN/AlGaN atomic structure in two directions were magnified and displayed in Moire phase maps, and defect locations and densities were detected automatically. The proposed technique is able to provide valuable references to material scientists and engineers by checking the effect of various treatments for defect reduction. © 2017 IOP Publishing Ltd.

  16. A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Erikat, I. A., E-mail: ihsanas@yahoo.com [Department of Physics, Jerash University, Jerash-26150 (Jordan); Hamad, B. A. [Department of Physics, The University of Jordan, Amman-11942 (Jordan)

    2013-11-07

    We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

  17. A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

    Science.gov (United States)

    Erikat, I. A.; Hamad, B. A.

    2013-11-01

    We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir-C and Ir-Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

  18. A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

    International Nuclear Information System (INIS)

    Erikat, I. A.; Hamad, B. A.

    2013-01-01

    We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule

  19. Inhomogeneous distribution of manganese atoms in ferromagnetic ZnSnAs{sub 2}:Mn thin films on InP revealed by three-dimensional atom probe investigation

    Energy Technology Data Exchange (ETDEWEB)

    Uchitomi, Naotaka, E-mail: uchitomi@nagaokaut.ac.jp; Inoue, Hiroaki; Kato, Takahiro; Toyota, Hideyuki [Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan); Uchida, Hiroshi [Toshiba Nanoanalysis Corporation, 8 Shinsugita-cho, Isogo-ku, Yokohama 235-8522 (Japan)

    2015-05-07

    Atomic-scale Mn distributions in ferromagnetic ZnSnAs{sub 2}:Mn thin films grown on InP substrates have been studied by applying three-dimensional atom probe (3DAP) microscopy. It is found that Mn atoms in cross-sectional 3DAP maps show the presence of inhomogeneities in Mn distribution, which is characteristic patterns of a spinoidal decomposition phase with slightly high and low concentration regions. The high Mn concentration regions are expected to be coherently clustered MnAs in the zinc-blende structure, resulting in the formation of Mn-As random connecting patterns. The origin of room-temperature ferromagnetism in ZnSnAs{sub 2}:Mn on InP can be well explained by the formation of atomic-scale magnetic clustering by spinoidal decomposition without breaking the continuity of the zinc-blende structure, which has been suggested by previous theoretical works. The lattice-matching between magnetic epi-layers and substrates should be one of the most important factors to avoid the formation of secondary hexagonal MnAs phase precipitates in preparing ferromagnetic semiconductor thin films.

  20. First-principles study on the interaction of nitrogen atom with α–uranium: From surface adsorption to bulk diffusion

    International Nuclear Information System (INIS)

    Su, Qiulei; Deng, Huiqiu; Xiao, Shifang; Li, Xiaofan; Hu, Wangyu; Ao, Bingyun; Chen, Piheng

    2014-01-01

    Experimental studies of nitriding on uranium surfaces show that the modified layers provide considerable protection against air corrosion. The bimodal distribution of nitrogen is affected by both its implantation and diffusion, and the diffusion of nitrogen during implantation is also governed by vacancy trapping. In the present paper, nitrogen adsorption, absorption, diffusion, and vacancy trapping on the surface of and in the bulk of α–uranium are studied with a first-principles density functional theory approach and the climbing image nudged elastic band method. The calculated results indicate that, regardless of the nitrogen coverage, a nitrogen atom prefers to reside at the hollow1 site and octahedral (Oct) site on and below the surface, respectively. The lowest energy barriers for on-surface and penetration diffusion occur at a coverage of 1/2 monolayer. A nitrogen atom prefers to occupy the Oct site in bulk α–uranium. High energy barriers are observed during the diffusion between neighboring Oct sites. A vacancy can capture its nearby interstitial nitrogen atom with a low energy barrier, providing a significant attractive nitrogen-vacancy interaction at the trapping center site. This study provides a reference for understanding the nitriding process on uranium surfaces

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

    Science.gov (United States)

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

    2018-06-13

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

  2. Analysis and Calibration of in situ scanning tunnelling microscopy Images with atomic Resolution Influenced by Surface Drift Phenomena

    DEFF Research Database (Denmark)

    Andersen, Jens Enevold Thaulov; Møller, Per

    1994-01-01

    The influence of surface drift velocities on in situ scanning tunnelling microscopy (STM) experiments with atomic resolution is analysed experimentally and mathematically. Constant drift velocities much smaller than the speed of scanning can in many in situ STM experiments with atomic resolution ...... as well as the vectors of the non-distorted surface lattice can be determined. The calibration of distances can thus be carried out also when the image is influenced by drift. Results with gold surfaces and graphite surfaces are analysed and discussed....

  3. Correlation between morphology, electron band structure, and resistivity of Pb atomic chains on the Si(5 5 3)-Au surface

    International Nuclear Information System (INIS)

    Jałochowski, M; Kwapiński, T; Łukasik, P; Nita, P; Kopciuszyński, M

    2016-01-01

    Structural and electron transport properties of multiple Pb atomic chains fabricated on the Si(5 5 3)-Au surface are investigated using scanning tunneling spectroscopy, reflection high electron energy diffraction, angular resolved photoemission electron spectroscopy and in situ electrical resistance. The study shows that Pb atomic chains growth modulates the electron band structure of pristine Si(5 5 3)-Au surface and hence changes its sheet resistivity. Strong correlation between chains morphology, electron band structure and electron transport properties is found. To explain experimental findings a theoretical tight-binding model of multiple atomic chains interacting on effective substrate is proposed. (paper)

  4. Energy spectrum of surface electrons over a {sup 3}He – {sup 4}He solution with a spatially non-uniform distribution of the light isotope

    Energy Technology Data Exchange (ETDEWEB)

    Bezsmolnyy, Ya.Yu.; Sokolova, E.S.; Sokolov, S.S. [B.Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, 47 Prospekt Nauky, 61103 Kharkov (Ukraine); Studart, Nelson [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Av. dos Estados, 5001, 09210-580 Santo André, São Paulo (Brazil); Departamento de Física, Universidade Federal de São Carlos, via Washington Luís, km 235, 13565-905 Säo Carlos, São Paulo (Brazil)

    2017-02-15

    The energy gap between the ground and first excited energy levels of surface electrons deposited over a dilute {sup 3}He - {sup 4}He solution is evaluated. Two spatial distributions of {sup 3}He atoms near the free surface solution are considered. One consists of a thin though macroscopic {sup 3}He film and in the other the {sup 3}He concentration varies continuously from the surface inside the liquid. The energy gap is calculated as a function of the parameters of the {sup 3}He spatial distribution for these distributions. It is shown that the energy gap dependence on the distribution parameters allows using measurements of intersubband transitions of the surface electrons to determine the {sup 3}He concentration distribution and, in principle, the nature of the spatial distribution of the light isotope near the surface of the solution.

  5. Thickness and morphology of polyelectrolyte coatings on silica surfaces before and after protein exposure studied by atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Haselberg, Rob, E-mail: r.haselberg@vu.nl [Biomolecular Analysis, Utrecht University, Universiteitsweg 99, 3584 CG Utrecht (Netherlands); AIMMS Division of BioMolecular Analysis, VU University Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Flesch, Frits M. [Biomolecular Analysis, Utrecht University, Universiteitsweg 99, 3584 CG Utrecht (Netherlands); Boerke, Arjan [Department of Biochemistry and Cell Biology, Utrecht University, Yalelaan 2, 3508 TD Utrecht (Netherlands); Somsen, Govert W. [Biomolecular Analysis, Utrecht University, Universiteitsweg 99, 3584 CG Utrecht (Netherlands); AIMMS Division of BioMolecular Analysis, VU University Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam (Netherlands)

    2013-05-24

    Graphical abstract: -- Highlights: •Atomic force microscopy is used to characterize polyelectrolyte coatings. •Coating procedure leads to nm-thick layers on a silica surface. •Polyelectrolyte coatings effectively prevent protein adsorption. •AFM provides the high resolution to investigate these thin films. •AFM results support earlier findings obtained with capillary electrophoresis. -- Abstract: Analyte–wall interaction is a significant problem in capillary electrophoresis (CE) as it may compromise separation efficiencies and migration time repeatability. In CE, self-assembled polyelectrolyte multilayer films of Polybrene (PB) and dextran sulfate (DS) or poly(vinylsulfonic acid) (PVS) have been used to coat the capillary inner wall and thereby prevent analyte adsorption. In this study, atomic force microscopy (AFM) was employed to investigate the layer thickness and surface morphology of monolayer (PB), bilayer, (PB-DS and PB-PVS), and trilayer (PB-DS-PB and PB-PVS-PB) coatings on glass surfaces. AFM nanoshaving experiments providing height distributions demonstrated that the coating procedures led to average layer thicknesses between 1 nm (PB) and 5 nm (PB-DS-PB), suggesting the individual polyelectrolytes adhere flat on the silica surface. Investigation of the surface morphology of the different coatings by AFM revealed that the PB coating does not completely cover the silica surface, whereas full coverage was observed for the trilayer coatings. The DS-containing coatings appeared on average 1 nm thicker than the corresponding PVS-containing coatings, which could be attributed to the molecular structure of the anionic polymers applied. Upon exposure to the basic protein cytochrome c, AFM measurements showed an increase of the layer thickness for bare (3.1 nm) and PB-DS-coated (4.6 nm) silica, indicating substantial protein adsorption. In contrast, a very small or no increase of the layer thickness was observed for the PB and PB-DS-PB coatings

  6. Effect of atomic layer deposition coatings on the surface structure of anodic aluminum oxide membranes.

    Science.gov (United States)

    Xiong, Guang; Elam, Jeffrey W; Feng, Hao; Han, Catherine Y; Wang, Hsien-Hau; Iton, Lennox E; Curtiss, Larry A; Pellin, Michael J; Kung, Mayfair; Kung, Harold; Stair, Peter C

    2005-07-28

    Anodic aluminum oxide (AAO) membranes were characterized by UV Raman and FT-IR spectroscopies before and after coating the entire surface (including the interior pore walls) of the AAO membranes by atomic layer deposition (ALD). UV Raman reveals the presence of aluminum oxalate in bulk AAO, both before and after ALD coating with Al2O3, because of acid anion incorporation during the anodization process used to produce AAO membranes. The aluminum oxalate in AAO exhibits remarkable thermal stability, not totally decomposing in air until exposed to a temperature >900 degrees C. ALD was used to cover the surface of AAO with either Al2O3 or TiO2. Uncoated AAO have FT-IR spectra with two separate types of OH stretches that can be assigned to isolated OH groups and hydrogen-bonded surface OH groups, respectively. In contrast, AAO surfaces coated by ALD with Al2O3 display a single, broad band of hydrogen-bonded OH groups. AAO substrates coated with TiO2 show a more complicated behavior. UV Raman results show that very thin TiO2 coatings (1 nm) are not stable upon annealing to 500 degrees C. In contrast, thicker coatings can totally cover the contaminated alumina surface and are stable at temperatures in excess of 500 degrees C.

  7. Silicon surface passivation using thin HfO2 films by atomic layer deposition

    International Nuclear Information System (INIS)

    Gope, Jhuma; Vandana; Batra, Neha; Panigrahi, Jagannath; Singh, Rajbir; Maurya, K.K.; Srivastava, Ritu; Singh, P.K.

    2015-01-01

    Graphical abstract: - Highlights: • HfO 2 films using thermal ALD are studied for silicon surface passivation. • As-deposited thin film (∼8 nm) shows better passivation with surface recombination velocity (SRV) <100 cm/s. • Annealing improves passivation quality with SRV ∼20 cm/s for ∼8 nm film. - Abstract: Hafnium oxide (HfO 2 ) is a potential material for equivalent oxide thickness (EOT) scaling in microelectronics; however, its surface passivation properties particularly on silicon are not well explored. This paper reports investigation on passivation properties of thermally deposited thin HfO 2 films by atomic layer deposition system (ALD) on silicon surface. As-deposited pristine film (∼8 nm) shows better passivation with <100 cm/s surface recombination velocity (SRV) vis-à-vis thicker films. Further improvement in passivation quality is achieved with annealing at 400 °C for 10 min where the SRV reduces to ∼20 cm/s. Conductance measurements show that the interface defect density (D it ) increases with film thickness whereas its value decreases after annealing. XRR data corroborate with the observations made by FTIR and SRV data.

  8. Investigating biomolecular recognition at the cell surface using atomic force microscopy.

    Science.gov (United States)

    Wang, Congzhou; Yadavalli, Vamsi K

    2014-05-01

    Probing the interaction forces that drive biomolecular recognition on cell surfaces is essential for understanding diverse biological processes. Force spectroscopy has been a widely used dynamic analytical technique, allowing measurement of such interactions at the molecular and cellular level. The capabilities of working under near physiological environments, combined with excellent force and lateral resolution make atomic force microscopy (AFM)-based force spectroscopy a powerful approach to measure biomolecular interaction forces not only on non-biological substrates, but also on soft, dynamic cell surfaces. Over the last few years, AFM-based force spectroscopy has provided biophysical insight into how biomolecules on cell surfaces interact with each other and induce relevant biological processes. In this review, we focus on describing the technique of force spectroscopy using the AFM, specifically in the context of probing cell surfaces. We summarize recent progress in understanding the recognition and interactions between macromolecules that may be found at cell surfaces from a force spectroscopy perspective. We further discuss the challenges and future prospects of the application of this versatile technique. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Ex situ investigation of the step bunching on crystal surfaces by atomic force microscopy

    Science.gov (United States)

    Krasinski, Mariusz J.

    1997-07-01

    We are describing ex situ observation of step bunching on the surfaces of solution grown potassium dihydrogen phosphate (KDP) and sodium chlorate monocrystals. The measurements have been done with the use of atomic force microscope. The use of this equipment allowed us to see directly the structure of macrosteps. Observation confirmed the existence of step pinning which is one of the proposed mechanisms of step bunching. Despite the very high resolution of AFM it was not possible to determine the nature of pinning point. The monatomic steps on KDP and sodium chlorate crystal surfaces are mainly one unit cell high what seems to be the result of the steps pairing. The origin of observed step pattern is discussed in frames of existing theories.

  10. Micro and nanostructural characterization of surfaces and interfaces of Portland cement mortars using atomic force microscopy

    International Nuclear Information System (INIS)

    Barreto, M.F.O.; Brandao, P.R.G.

    2014-01-01

    The characterization of Portland cement mortars is very important in the study the interfaces and surfaces that make up the system grout/ceramic block. In this sense, scanning electron microscopy and energy-dispersive (X-ray) spectrometer are important tools in investigating the morphology and chemical aspects. However, more detailed topographic information can be necessary in the characterization process. In this work, the aim was to characterize topographically surfaces and interfaces of mortars applied onto ceramic blocks. This has been accomplished by using the atomic force microscope (AFM) - MFP-3D-SA Asylum Research. To date, the results obtained from this research show that the characterization of cementitious materials with the help of AFM has an important contribution in the investigation and differentiation of hydrated calcium silicates (CSH), calcium hydroxide (Ca(OH)2, ettringite and calcium carbonate by providing morphological and micro topographical data, which are extremely important and reliable for the understanding of cementitious materials. (author)

  11. Nanoscopic morphological changes in yeast cell surfaces caused by oxidative stress: an atomic force microscopic study.

    Science.gov (United States)

    Canetta, Elisabetta; Walker, Graeme M; Adya, Ashok K

    2009-06-01

    Nanoscopic changes in the cell surface morphology of the yeasts Saccharomyces cerevisiae (strain NCYC 1681) and Schizosaccharomyces pombe (strain DVPB 1354), due to their exposure to varying concentrations of hydrogen peroxide (oxidative stress), were investigated using an atomic force microscope (AFM). Increasing hydrogen peroxide concentration led to a decrease in cell viabilities and mean cell volumes, and an increase in the surface roughness of the yeasts. In addition, AFM studies revealed that oxidative stress caused cell compression in both S. cerevisiae and Schiz. pombe cells and an increase in the number of aged yeasts. These results confirmed the importance and usefulness of AFM in investigating the morphology of stressed microbial cells at the nanoscale. The results also provided novel information on the relative oxidative stress tolerance of S. cerevisiae and Schiz. pombe.

  12. Atom-specific look at the surface chemical bond using x-ray emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, A.; Wassdahl, N.; Weinelt, M. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    CO and N{sub 2} adsorbed on the late transition metals have become prototype systems regarding the general understanding of molecular adsorption. It is in general assumed that the bonding of molecules to transition metals can be explained in terms of the interaction of the frontier HOMO and LUMO molecular orbitals with the d-orbitals. In such a picture the other molecular orbitals should remain essentially the same as in the free molecule. For the adsorption of the isoelectronic molecules CO and N{sub 2} this has led to the so called Blyholder model i.e., a synergetic {sigma} (HOMO) donor and {pi} (LUMO) backdonation bond. The authors results at the ALS show that such a picture is oversimplified. The direct observation and identification of the states related to the surface chemical bond is an experimental challenge. For noble and transition metal surfaces, the adsorption induced states overlap with the metal d valence band. Their signature is therefore often obscured by bulk substrate states. This complication has made it difficult for techniques such as photoemission and inverse photoemission to provide reliable information on the energy of chemisorption induced states and has left questions unanswered regarding the validity of the frontier orbitals concept. Here the authors show how x-ray emission spectroscopy (XES), in spite of its inherent bulk sensitivity, can be used to investigate adsorbed molecules. Due to the localization of the core-excited intermediate state, XE spectroscopy allows an atomic specific separation of the valence electronic states. Thus the molecular contributions to the surface measurements make it possible to determine the symmetry of the molecular states, i.e., the separation of {pi} and {sigma} type states. In all the authors can obtain an atomic view of the electronic states involved in the formation of the chemical bond to the surface.

  13. Atomic-scale simulation of dust grain collisions: Surface chemistry and dissipation beyond existing theory

    Science.gov (United States)

    Quadery, Abrar H.; Doan, Baochi D.; Tucker, William C.; Dove, Adrienne R.; Schelling, Patrick K.

    2017-10-01

    The early stages of planet formation involve steps where submicron-sized dust particles collide to form aggregates. However, the mechanism through which millimeter-sized particles aggregate to kilometer-sized planetesimals is still not understood. Dust grain collision experiments carried out in the environment of the Earth lead to the prediction of a 'bouncing barrier' at millimeter-sizes. Theoretical models, e.g., Johnson-Kendall-Roberts and Derjaguin-Muller-Toporov theories, lack two key features, namely the chemistry of dust grain surfaces, and a mechanism for atomic-scale dissipation of energy. Moreover, interaction strengths in these models are parameterized based on experiments done in the Earth's environment. To address these issues, we performed atomic-scale simulations of collisions between nonhydroxylated and hydroxylated amorphous silica nanoparticles. We used the ReaxFF approach which enables modeling chemical reactions using an empirical potential. We found that nonhydroxylated nanograins tend to adhere with much higher probability than suggested by existing theories. By contrast, hydroxylated nanograins exhibit a strong tendency to bounce. Also, the interaction between dust grains has the characteristics of a strong chemical force instead of weak van der Waals forces. This suggests that the formation of strong chemical bonds and dissipation via internal atomic vibration may result in aggregation beyond what is expected based on our current understanding. Our results also indicate that experiments should more carefully consider surface conditions to mimic the space environment. We also report results of simulations with molten silica nanoparticles. It is found that molten particles are more likely to adhere due to viscous dissipation, which supports theories that suggest aggregation to kilometer scales might require grains to be in a molten state.

  14. Morphology and microstructure of Ag islands of aggregated atoms on oil surfaces

    Institute of Scientific and Technical Information of China (English)

    Zhang Chu-Hang; Lü Neng; Zhang Xiao-Fei; Saida Ajeeb; Xia A-Gen; Ye Gao-Xiang

    2011-01-01

    The morphology evolution of silver islands on silicone oil surfaces is measured and the microstructure of the islands is studied. The deposited Ag atoms diffuse and aggregate on the oil surface and then Ag islands with the width of the order of 102-nm form. After the samples are removed from the vacuum chamber, the immediate measurement shows that the apparent Ag coverage of the total area decays with the magnitude up to (23.0±3.8)% in few minutes. In the following two hours, the samples are kept in the ambient atmosphere and several unexpected results are detected: 1)as the topological structure of the islands evolves, the total area of each island decreases gradually and the maximum decrement measured is around 20%; 2) if an island breaks and becomes two small pieces, the total area decreases obviously; 3) however, if two small islands meet and stick together, a sudden increment of the total area is observed.These phenomena, mirroring the evolution process of the island microstructure, are resulted from both the diffusion of the atoms and the combination of the defects inside the islands.

  15. Atomistic modeling determination of placeholder binding energy of Ti, C, and N atoms on a-Fe (100) surfaces

    International Nuclear Information System (INIS)

    Wei, X J; Liu, Y P; Han, S P

    2015-01-01

    A Fe(100) surface containing Ti, C, and N was constructed and optimized to study the placeholder binding energy of the Ti, C, and N surface atoms; this was achieved by searching the transition state with the LST (linear synchronous transit) method of the CASTEP (Cambridge Serial Total Energy Package) module. Also, the authors analyzed electron structures to determine how Ti, C, and N atoms strengthen the Fe(100) surface. The results show that when Ti, C, or N atoms take placeholder alone, or simultaneously at the Fe(100) surface, the structure stability is at its best. When including Ti, C, and N as solid solutions on the Fe(100) surface, orbital electrons of Fe3d, Ti3d, C2p, and N2p hybridize near the Fermi level; the number of electronic bonding peaks increase and bonding capacity enhances. Also, a large amount of covalent bonds formed. Covalent bonds and metallic bond coexisted. (paper)

  16. Assembling three-dimensional nanostructures on metal surfaces with a reversible vertical single-atom manipulation: A theoretical modeling

    International Nuclear Information System (INIS)

    Yang Tianxing; Ye Xiang; Huang Lei; Xie Yiqun; Ke Sanhuang

    2012-01-01

    Highlights: ► We simulate the reversible vertical single-atom manipulations on several metal surfaces. ► We propose a method to predict whether a reversible vertical single-atom manipulation can be successful on several metal surfaces. ► A 3-dimensional Ni nanocluster is assembled on the Ni(1 1 1) surface using a Ni trimer-apex tip. - Abstract: We propose a theoretical model to show that pulling up an adatom from an atomic step requires a weaker force than from the flat surfaces of Al(0 0 1), Ni(1 1 1), Pt(1 1 0) and Au(1 1 0). Single adatom in the atomic step can be extracted vertically by a trimer-apex tip while can be released to the flat surface. This reversible vertical manipulation can then be used to fabricate a supported three-dimensional (3D) nanostructure on the Ni(1 1 1) surface. The present modeling can be used to predict whether the reversible vertical single-atom manipulation and thus the assembling of 3D nanostructures can be achieved on a metal surface.

  17. Nuclear momentum distribution and potential energy surface in hexagonal ice

    Science.gov (United States)

    Lin, Lin; Morrone, Joseph; Car, Roberto; Parrinello, Michele

    2011-03-01

    The proton momentum distribution in ice Ih has been recently measured by deep inelastic neutron scattering and calculated from open path integral Car-Parrinello simulation. Here we report a detailed investigation of the relation between momentum distribution and potential energy surface based on both experiment and simulation results. The potential experienced by the proton is largely harmonic and characterized by 3 principal frequencies, which can be associated to weighted averages of phonon frequencies via lattice dynamics calculations. This approach also allows us to examine the importance of quantum effects on the dynamics of the oxygen nuclei close to the melting temperature. Finally we quantify the anharmonicity that is present in the potential acting on the protons. This work is supported by NSF and by DOE.

  18. Ride control of surface effect ships using distributed control

    Directory of Open Access Journals (Sweden)

    Asgeir J. Sørensen

    1994-04-01

    Full Text Available A ride control system for active damping of heave and pitch accelerations of Surface Effect Ships (SES is presented. It is demonstrated that distributed effects that are due to a spatially varying pressure in the air cushion result in significant vertical vibrations in low and moderate sea states. In order to achieve a high quality human comfort and crew workability it is necessary to reduce these vibrations using a control system which accounts for distributed effects due to spatial pressure variations in the air cushion. A mathematical model of the process is presented, and collocated sensor and actuator pairs are used. The process stability is ensured using a controller with appropriate passivity properties. Sensor and actuator location is also discussed. The performance of the ride control system is shown by power spectra of the vertical accelerations obtained from full scale experiments with a 35 m SES.

  19. Three dimensional classical theory of rainbow scattering of atoms from surfaces

    International Nuclear Information System (INIS)

    Pollak, Eli; Miret-Artes, Salvador

    2010-01-01

    Graphical abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously. - Abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously.

  20. Three dimensional classical theory of rainbow scattering of atoms from surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Pollak, Eli, E-mail: eli.pollak@weizmann.ac.il [Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovoth (Israel); Miret-Artes, Salvador [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain)

    2010-10-05

    Graphical abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously. - Abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously.

  1. Comparison of the bidirectional reflectance distribution function of various surfaces

    International Nuclear Information System (INIS)

    Fernandez, R.; Seasholtz, R.G.; Oberle, L.G.; Kadambi, J.R.

    1989-01-01

    This paper describes the development and use of a system to measure the bidirectional reflectance distribution function (BRDF) of various surfaces. The BRDF measurements are to be used in the analysis and design of optical measurement systems such as laser anemometers. An Ar-ion laser (514 nm) was the light source. Preliminary results are presented for eight samples: two glossy black paints, two flat black paints, black glass, sand-blasted Al, unworked Al, and a white paint. A BaSO4 white reflectance standard was used as the reference sample throughout the tests. 8 refs

  2. Quantifying the importance of galactofuranose in Aspergillus nidulans hyphal wall surface organization by atomic force microscopy.

    Science.gov (United States)

    Paul, Biplab C; El-Ganiny, Amira M; Abbas, Mariam; Kaminskyj, Susan G W; Dahms, Tanya E S

    2011-05-01

    The fungal wall mediates cell-environment interactions. Galactofuranose (Galf), the five-member ring form of galactose, has a relatively low abundance in Aspergillus walls yet is important for fungal growth and fitness. Aspergillus nidulans strains deleted for Galf biosynthesis enzymes UgeA (UDP-glucose-4-epimerase) and UgmA (UDP-galactopyranose mutase) lacked immunolocalizable Galf, had growth and sporulation defects, and had abnormal wall architecture. We used atomic force microscopy and force spectroscopy to image and quantify cell wall viscoelasticity and surface adhesion of ugeAΔ and ugmAΔ strains. We compared the results for ugeAΔ and ugmAΔ strains with the results for a wild-type strain (AAE1) and the ugeB deletion strain, which has wild-type growth and sporulation. Our results suggest that UgeA and UgmA are important for cell wall surface subunit organization and wall viscoelasticity. The ugeAΔ and ugmAΔ strains had significantly larger surface subunits and lower cell wall viscoelastic moduli than those of AAE1 or ugeBΔ hyphae. Double deletion strains (ugeAΔ ugeBΔ and ugeAΔ ugmAΔ) had more-disorganized surface subunits than single deletion strains. Changes in wall surface structure correlated with changes in its viscoelastic modulus for both fixed and living hyphae. Wild-type walls had the largest viscoelastic modulus, while the walls of the double deletion strains had the smallest. The ugmAΔ strain and particularly the ugeAΔ ugmAΔ double deletion strain were more adhesive to hydrophilic surfaces than the wild type, consistent with changes in wall viscoelasticity and surface organization. We propose that Galf is necessary for full maturation of A. nidulans walls during hyphal extension.

  3. Surface modes of ultra-cold atomic clouds with very large number of vortices

    Energy Technology Data Exchange (ETDEWEB)

    Cazalilla, M A [Donostia International Physics Center, Donostia (Spain); [Abdus Salam International Centre for Theoretical Physics, Trieste (Italy)

    2003-04-01

    We study the surface modes of some of the vortex liquids recently found by means of exact diagonalizations in systems of rapidly rotating bosons. In contrast to the surface modes of Bose condensates, we find that the surface waves have a frequency linear in the excitation angular momentum, h-bar l > 0. Furthermore, in analogy with the edge waves of electronic quantum Hall states, these excitations are chiral, that is, they can be excited only for values of l that increase the total angular momentum of the vortex liquid. However, differently from the quantum Hall phenomena for electrons, we also find other excitations that are approximately degenerate in the laboratory frame with the surface modes, and which decrease the total angular momentum by l quanta. The surface modes of the Laughlin, as well as other scalar and vector boson states are analyzed, and their observable properties characterized. We argue that measurement of the response of a vortex liquid to a weak time-dependent potential that imparts angular momentum to the system should provide valuable information to characterize the vortex liquid. In particular, the intensity of the signal of the surface waves in the dynamic structure factor has been studied and found to depend on the type of vortex liquid. We point out that the existence of surface modes has observable consequences on the density profile of the Laughlin state. These features are due to the strongly correlated behavior of atoms in the vortex liquids. We point out that these correlations should be responsible for a remarkable stability of some vortex liquids with respect to three-body losses. (author)

  4. MODELING THE ATOMIC-TO-MOLECULAR TRANSITION AND CHEMICAL DISTRIBUTIONS OF TURBULENT STAR-FORMING CLOUDS

    Energy Technology Data Exchange (ETDEWEB)

    Offner, Stella S. R. [Department of Astronomy, Yale University, New Haven, CT 06511 (United States); Bisbas, Thomas G.; Viti, Serena [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6B (United Kingdom); Bell, Tom A., E-mail: stella.offner@yale.edu [Centro de Astrobiologia (CSIC-INTA), Carretera de Ajalvir, km 4, E-28850 Madrid (Spain)

    2013-06-10

    We use 3D-PDR, a three-dimensional astrochemistry code for modeling photodissociation regions (PDRs), to post-process hydrodynamic simulations of turbulent, star-forming clouds. We focus on the transition from atomic to molecular gas, with specific attention to the formation and distribution of H, C{sup +}, C, H{sub 2}, and CO. First, we demonstrate that the details of the cloud chemistry and our conclusions are insensitive to the simulation spatial resolution, to the resolution at the cloud edge, and to the ray angular resolution. We then investigate the effect of geometry and simulation parameters on chemical abundances and find weak dependence on cloud morphology as dictated by gravity and turbulent Mach number. For a uniform external radiation field, we find similar distributions to those derived using a one-dimensional PDR code. However, we demonstrate that a three-dimensional treatment is necessary for a spatially varying external field, and we caution against using one-dimensional treatments for non-symmetric problems. We compare our results with the work of Glover et al., who self-consistently followed the time evolution of molecule formation in hydrodynamic simulations using a reduced chemical network. In general, we find good agreement with this in situ approach for C and CO abundances. However, the temperature and H{sub 2} abundances are discrepant in the boundary regions (A{sub v} {<=} 5), which is due to the different number of rays used by the two approaches.

  5. Differential MS2 Interaction with Food Contact Surfaces Determined by Atomic Force Microscopy and Virus Recovery.

    Science.gov (United States)

    Shim, J; Stewart, D S; Nikolov, A D; Wasan, D T; Wang, R; Yan, R; Shieh, Y C

    2017-12-15

    Enteric viruses are recognized as major etiologies of U.S. foodborne infections. These viruses are easily transmitted via food contact surfaces. Understanding virus interactions with surfaces may facilitate the development of improved means for their removal, thus reducing transmission. Using MS2 coliphage as a virus surrogate, the strength of virus adhesion to common food processing and preparation surfaces of polyvinyl chloride (PVC) and glass was assessed by atomic force microscopy (AFM) and virus recovery assays. The interaction forces of MS2 with various surfaces were measured from adhesion peaks in force-distance curves registered using a spherical bead probe preconjugated with MS2 particles. MS2 in phosphate-buffered saline (PBS) demonstrated approximately 5 times less adhesion force to glass (0.54 nN) than to PVC (2.87 nN) ( P force for PVC (∼0 nN) and consistently increased virus recovery by 19%. With direct and indirect evidence of virus adhesion, this study illustrated a two-way assessment of virus adhesion for the initial evaluation of potential means to mitigate virus adhesion to food contact surfaces. IMPORTANCE The spread of foodborne viruses is likely associated with their adhesive nature. Virus attachment on food contact surfaces has been evaluated by quantitating virus recoveries from inoculated surfaces. This study aimed to evaluate the microenvironment in which nanometer-sized viruses interact with food contact surfaces and to compare the virus adhesion differences using AFM. The virus surrogate MS2 demonstrated less adhesion force to glass than to PVC via AFM, with the force-contributing factors including the intrinsic nature and the topography of the contact surfaces. This adhesion finding is consistent with the virus recoveries, which were determined indirectly. Greater numbers of viruses were recovered from glass than from PVC, after application at the same levels. The stronger MS2 adhesion onto PVC could be interrupted by incorporating a

  6. Light emission from sputtered or backscattered atoms on tungsten surfaces under ion irradiation

    International Nuclear Information System (INIS)

    Sakai, Yasuhiro; Nogami, Keisuke; Kato, Daiji; Sakaue, Hiroyuki A.; Kenmotsu, Takahiko; Furuya, Kenji; Motohashi, Kenji

    2013-01-01

    We measured the intensity of light emission from sputtered atoms on tungsten surfaces under the irradiations of Kr"+ ion and Ar"+ ion, as a function of the perpendicular distance from the surface. Using the analysis of decay curve, we estimated the mean vertical velocity component in direction normal to the surface. We found that the estimated mean velocity had much differences according to the excited state. For example, although the estimated mean vertical velocity component normal to the surface from the 400.9 nm line((5d"5(6S)6p "7p_4→(5d"5(6S)6s "7S_3 transition) was 5.6±1.7 km/sec, that from the 386.8 nm line((5d"4(6S)6p "7D_4→(5d"5(6S)6s "7S_4 transition) was 2.8±1.0 km/sec. However, for different projectiles and energies, we found no remarkable changes in the velocity. (author)

  7. Adsorption of atomic oxygen on PdAg/Pd(111) surface alloys and coadsorption of CO

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, Arnold P. [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany); Reaction Kinetics Research Group, University of Szeged, Chemical Research Center of the Hungarian Academy of Sciences, H-6720 Szeged (Hungary); Bansmann, Joachim; Diemant, Thomas; Behm, R. Juergen [Institute of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm (Germany)

    2011-07-01

    The interaction of dissociated oxygen with structurally well-defined PdAg/Pd(111) surface alloys and the coadsorption of CO was studied by high resolution electron energy loss spectroscopy (HREELS) and temperature-programmed desorption (TPD). After oxygen saturation of the non-modified Pd(111) surface at RT, we observed the formation of a prominent peak in the HREEL spectra at 60 meV corresponding to the perpendicular vibration of oxygen atoms adsorbed in threefold hollow sites. Deposition of small Ag amounts does not change the signal intensity of this peak; it decreases only above 20% Ag. Beyond this Ag content, the peak intensity steeply declines and disappears at around 55-60% Ag. CO coadsorption on the oxygen pre-covered surfaces at 120 K leads to the formation of additional features in HREELS. For a surface alloy with 29% Ag, three loss features due to CO adsorption in on-top, bridge, and threefold-hollow sites can be discriminated already after the lowest CO exposure. Annealing of the co-adsorbed layer to 200 K triggers a decrease of the oxygen concentration due to CO{sub 2} formation. These findings are corroborated by TPD spectra of the CO desorption and CO{sub 2} production.

  8. Imaging surface nanobubbles at graphite–water interfaces with different atomic force microscopy modes

    International Nuclear Information System (INIS)

    Yang, Chih-Wen; Lu, Yi-Hsien; Hwang, Ing-Shouh

    2013-01-01

    We have imaged nanobubbles on highly ordered pyrolytic graphite (HOPG) surfaces in pure water with different atomic force microscopy (AFM) modes, including the frequency-modulation, the tapping, and the PeakForce techniques. We have compared the performance of these modes in obtaining the surface profiles of nanobubbles. The frequency-modulation mode yields a larger height value than the other two modes and can provide more accurate measurement of the surface profiles of nanobubbles. Imaging with PeakForce mode shows that a nanobubble appears smaller and shorter with increasing peak force and disappears above a certain peak force, but the size returns to the original value when the peak force is reduced. This indicates that imaging with high peak forces does not cause gas removal from the nanobubbles. Based on the presented findings and previous AFM observations, the existing models for nanobubbles are reviewed and discussed. The model of gas aggregate inside nanobubbles provides a better explanation for the puzzles of the high stability and the contact angle of surface nanobubbles. (paper)

  9. Effective Electrostatic Interactions Between Two Overall Neutral Surfaces with Quenched Charge Heterogeneity Over Atomic Length Scale

    Science.gov (United States)

    Zhou, S.

    2017-12-01

    Using Monte Carlo results as a reference, a classical density functional theory ( CDFT) is shown to reliably predict the forces between two heterogeneously charged surfaces immersed in an electrolyte solution, whereas the Poisson-Boltzmann ( PB) theory is demonstrated to deteriorate obviously for the same system even if the system parameters considered fall within the validity range of the PB theory in the homogeneously charged surfaces. By applying the tested CDFT, we study the effective electrostatic potential of mean force ( EPMF) between two face-face planar and hard surfaces of zero net charge on which positive and negative charges are separated and considered to present as discontinuous spots on the inside edges of the two surfaces. Main conclusions are summarized as follows: (i) strength of the EPMF in the surface charge separation case is very sensitively and positively correlated with the surface charge separation level and valency of the salt ion. Particularly, the charge separation level and the salt ion valency have a synergistic effect, which makes high limit of the EPMF strength in the surface charge separation case significantly go beyond that of the ideal homogeneously charged surface counterpart at average surface charge density similar to the average surface positive or negative charge density in the charge separation case. (ii) The surface charge distribution patterns mainly influence sign of the EPMF: symmetrical and asymmetrical patterns induce repulsive and attractive (at small distances) EPMF, respectively; but with low valency salt ions and low charge separation level the opposite may be the case. With simultaneous presence of both higher valency cation and anion, the EPMF can be repulsive at intermediate distances for asymmetrical patterns. (iii) Salt ion size has a significant impact, which makes the EPMF tend to become more and more repulsive with the ion diameter regardless of the surface charge distribution patterns and the valency of

  10. Path-integral theory of the scattering of 4He atoms at the surface of liquid 4He

    International Nuclear Information System (INIS)

    Swanson, D.R.; Edwards, D.O.

    1988-01-01

    The path-integral theory of the scattering of a 4 He atom near the free surface of liquid 4 He, which was originally formulated by Echenique and Pendry, has been recalculated with use of a physically realistic static potential and atom-ripplon interaction outside the liquid. The static potential and atom-ripplon interaction are based on the variational calculation of Edwards and Fatouros. An important assumption in the path-integral theory is the ''impulse approximation'': that the motion of the scattered atom is very fast compared with the motion of the surface due to ripplons. This is found to be true only for ripplons with wave vectors smaller than q/sub m/∼0.2 A/sup -1/. If ripplons above q/sub m/ made an important contribution to the scattering of the atom there would be a substantial dependence of the elastic reflection coefficient on the angle of incidence of the atom. Since this is not observed experimentally, it is argued that ripplons above q/sub m/ give a negligible effect and should be excluded from the calculation. With this modification the theory gives a good fit to the experimental reflection coefficient as a function of the momentum and angle of incidence of the atom. The new version of the theory indicates that there is a substantial probability that an atom may reach the surface of the liquid without exciting any ripplons. The theory is not valid when the atom enters the liquid but analysis of the experiments shows that, once inside the liquid, the atom has a negligible chance of being scattered out again

  11. Electrode surface engineering by atomic layer deposition: A promising pathway toward better energy storage

    KAUST Repository

    Ahmed, Bilal

    2016-04-29

    Research on electrochemical energy storage devices including Li ion batteries (LIBs), Na ion batteries (NIBs) and supercapacitors (SCs) has accelerated in recent years, in part because developments in nanomaterials are making it possible to achieve high capacities and energy and power densities. These developments can extend battery life in portable devices, and open new markets such as electric vehicles and large-scale grid energy storage. It is well known that surface reactions largely determine the performance and stability of electrochemical energy storage devices. Despite showing impressive capacities and high energy and power densities, many of the new nanostructured electrode materials suffer from limited lifetime due to severe electrode interaction with electrolytes or due to large volume changes. Hence control of the surface of the electrode material is essential for both increasing capacity and improving cyclic stability of the energy storage devices.Atomic layer deposition (ALD) which has become a pervasive synthesis method in the microelectronics industry, has recently emerged as a promising process for electrochemical energy storage. ALD boasts excellent conformality, atomic scale thickness control, and uniformity over large areas. Since ALD is based on self-limiting surface reactions, complex shapes and nanostructures can be coated with excellent uniformity, and most processes can be done below 200. °C. In this article, we review recent studies on the use of ALD coatings to improve the performance of electrochemical energy storage devices, with particular emphasis on the studies that have provided mechanistic insight into the role of ALD in improving device performance. © 2016 Elsevier Ltd.

  12. Mineral distribution in rice: Measurement by Microwave Plasma Atomic Emission Spectroscopy (MP-AES)

    International Nuclear Information System (INIS)

    Ramos, Nerissa C.; Ramos, R.G.A.; Quirit, L.L.; Arcilla, C.A.

    2015-01-01

    Microwave Plasma Atomic Emission Spectroscopy (MP-AES) is a new technology with comparable performance and sensitivity to Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES). Both instrument use plasma as the energy source that produces atomic and ionic emission lines. However, MP-AES uses nitrogen as the plasma gas instead of argon which is an additional expense for ICP-OES. Thus, MP-AES is more economical. This study quantified six essential minerals (Se, Zn, Fe, Cu, Mn and K) in rice using MP-AES. Hot plate digestion was used for sample extraction and the detection limit for each instrument was compared with respect to the requirement for routine analysis in rice. Black, red and non-pigmented rice samples were polished in various intervals to determine the concentration loss of minerals. The polishing time corresponds to the structure of the rice grains such as outer bran layer (0 to 15), inner bran layer (15 to 30), outer endosperm layer (30 to 45), and middle endosperm layer (45 to 60). Results of MP-AES analysis showed that black rice had all essential materials (except K) in high concentration at the outer bran layer. The red and non-pigmented rice samples on the other hand, contained high levels of Se, Zn, Fe, and Mn in the whole bran portion. After 25 seconds, the mineral concentrations remained constant. The concentration of Cu however, gave consistent value in all polishing intervals, hence Cu might be located in the inner endosperm layer. Results also showed that K was uniformly distributed in all samples where 5% loss was consistently observed for every polishing interval. Therefore, the concentration of K was also affected by polishing time. Thus, the new MP-AES technology with comparable performance to ICP-OES is a promising tool for routine analysis in rice. (author)

  13. Distribution of the Ammoniated Species on the Surface of Ceres

    Science.gov (United States)

    Ammannito, E.; De Sanctis, M. C.; Carrorro, F. G.; Ciarniello, M.; Combe, J. P.; De Angelis, S.; Ehlmann, B. L.; Frigeri, A.; Marchi, S.; McSween, H. Y., Jr.; Raponi, A.; Toplis, M. J.; Tosi, F.; Castillo, J. C.; Capaccioni, F.; Capria, M. T.; Fonte, S.; Giardino, M.; Jaumann, R.; Longobardo, A.; Joy, S. P.; Magni, G.; McCord, T. B.; McFadden, L. A.; Palomba, E.; Pieters, C. M.; Polanskey, C. A.; Prettyman, T. H.; Rayman, M.; Raymond, C. A.; Schenk, P.; Zambon, F.; Russell, C. T.

    2016-12-01

    The Dawn spacecraft has been acquiring data on dwarf planet Ceres since January 2015 (1). The VIR spectrometer (0.25-5.0 μm) acquired data at different altitudes providing information on the composition of the surface of Ceres at resolutions ranging from few kilometers to about one hundred meters (2). The average spectrum of Ceres is well represented by a mixture of dark minerals, Mg- phyllosilicates, ammoniated clays, and Mg carbonates (3). This result confirms previous studies based on ground based spectra (4, 5). Maps of the surface at about 1 km/px show that the components identified in the average spectrum are present all across the surface with variations in their relative abundance (6). Some localized areas however have peculiar spectral characteristics. One example is the spectrum of the bright regions within Occator crater that is most consistent with a large amount of Na-carbonates and possibly ammonium salts (7). The presence of ammoniated species poses a constraint on the pH and redox condition during the evolution of Ceres. Therefore, we have studied the distribution across the surface of such species to better understand the evolutionary pathway of Ceres. References : (1) Russell, C. T. et al. 2016, Science. (2) De Sanctis M.C. et al., The VIR Spectrometer, 2011, Space Science Reviews. (3) De Sanctis M.C. et al. Ammoniated phyllosilicates on dwarf planet Ceres reveal an outer solar system origin, Nature, 2015. (4) King T. et al. (1992) Science, 255, 1551-1553. (5) Rivkin A.S. et al. (2006) Icarus, 185, 563-567. (6) Ammannito E. et al., Spectral diversity of Ceres surface as measured by VIR, 2016, Science. (7) De Sanctis et al. (2016), Nature

  14. Atomic force microscopy measurements of topography and friction on dotriacontane films adsorbed on a SiO2 surface

    DEFF Research Database (Denmark)

    Trogisch, S.; Simpson, M.J.; Taub, H.

    2005-01-01

    We report comprehensive atomic force microscopy (AFM) measurements at room temperature of the nanoscale topography and lateral friction on the surface of thin solid films of an intermediate-length normal alkane, dotriacontane (n-C32H66), adsorbed onto a SiO2 surface. Our topographic and frictional...

  15. Surface passivation of nano-textured fluorescent SiC by atomic layer deposited TiO2

    DEFF Research Database (Denmark)

    Lu, Weifang; Ou, Yiyu; Jokubavicius, Valdas

    2016-01-01

    Nano-textured surfaces have played a key role in optoelectronic materials to enhance the light extraction efficiency. In this work, morphology and optical properties of nano-textured SiC covered with atomic layer deposited (ALD) TiO2 were investigated. In order to obtain a high quality surface fo...

  16. Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors

    DEFF Research Database (Denmark)

    Vojvodic, Aleksandra; Ruberto, C.; Lundqvist, Bengt

    2010-01-01

    ) surfaces. The spatial extent and the dangling bond nature of these SRs are supported by real-space analyses of the calculated Kohn-Sham wavefunctions. Then, atomic and molecular adsorption energies, geometries, and charge transfers are presented. An analysis of the adsorbate-induced changes in surface DOSs...

  17. Atomic Structure of a Spinel-like Transition Al2O3 (100) Surface

    DEFF Research Database (Denmark)

    Jensen, Thomas Nørregaard; Meinander, Kristoffer; Helveg, Stig

    2014-01-01

    We study a crystalline epitaxial alumina thin film with the characteristics of a spinel-type transition Al2O3(100) surface by using atom-resolved noncontact atomic force microscopy and density functional theory. It is shown that the films are terminated by an Al-O layer rich in Al vacancies......, exhibiting a strong preference for surface hydroxyl group formation in two configurations. The transition alumina films are crystalline and perfectly stable in ambient atmospheres, a quality which is expected to open the door to new fundamental studies of the surfaces of transition aluminas....

  18. In Situ Investigation of Electrochemically Mediated Surface-Initiated Atom Transfer Radical Polymerization by Electrochemical Surface Plasmon Resonance.

    Science.gov (United States)

    Chen, Daqun; Hu, Weihua

    2017-04-18

    Electrochemically mediated atom transfer radical polymerization (eATRP) initiates/controls the controlled/living ATRP chain propagation process by electrochemically generating (regenerating) the activator (lower-oxidation-state metal complex) from deactivator (higher-oxidation-state metal complex). Despite successful demonstrations in both of the homogeneous polymerization and heterogeneous systems (namely, surface-initiated ATRP, SI-ATRP), the eATRP process itself has never been in situ investigated, and important information regarding this process remains unrevealed. In this work, we report the first investigation of the electrochemically mediated SI-ATRP (eSI-ATRP) by rationally combining the electrochemical technique with real-time surface plasmon resonance (SPR). In the experiment, the potential of a SPR gold chip modified by the self-assembled monolayer of the ATRP initiator was controlled to electrochemically reduce the deactivator to activator to initiate the SI-ATRP, and the whole process was simultaneously monitored by SPR with a high time resolution of 0.1 s. It is found that it is feasible to electrochemically trigger/control the SI-ATRP and the polymerization rate is correlated to the potential applied to the gold chip. This work reveals important kinetic information for eSI-ATRP and offers a powerful platform for in situ investigation of such complicated processes.

  19. Ab initio study of the atomic motion in liquid metal surfaces: comparison with Lennard-Jones systems

    International Nuclear Information System (INIS)

    Gonzalez, Luis E; Gonzalez, David J

    2006-01-01

    It is established that liquid metals exhibit surface layering at the liquid-vapour interface, while dielectric simple systems, like those interacting through Lennard-Jones potentials, show a monotonic decay from the liquid density to that of the vapour. First principles molecular dynamics simulations of the free liquid surface of several liquid metals (Li, Na, K, Rb, Cs, Mg, Ba, Al, Tl and Si), and the Na 3 K 7 alloy near their triple points have been performed in order to study the atomic motion at the interface, mainly at the outer layer. Comparison with the results of classical molecular dynamics simulations of a Lennard-Jones system shows interesting differences and similarities. The probability distribution function of the time of residence in a layer shows a peak at very short times and a long-lasting tail. The mean residence time in a layer increases when approaching the interfacial region, slightly in the Lennard-Jones system but strongly in the metallic systems. The motion within the layers, parallel to the interface, can be described as diffusion enhanced (strongly in the case of the outermost layer) with respect to the bulk, for both types of systems, despite its reduced dimensionality in metals

  20. Direct detection of neutral metal atoms in electron-stimulated desorption: Al from CH3O/Al(111) - velocity distribution and absolute yield

    International Nuclear Information System (INIS)

    Whitten, J.E.; Young, C.E.; Pellin, M.J.; Gruen, D.M.; Jones, P.L.

    1994-01-01

    Electron-stimulated desorption of neutral aluminum from the system CH 3 O/Al(111) has been directly monitored via quasiresonant photoionization with 193 nm excimer laser light and confirmed by two-step resonant ionization, utilizing the Al 3d 2 D manifold. Velocity distribution measurements for the neutral Al peak at ∼ 800 m/s for 1 keV incident electron energy. An absolute yield of 3.2 x 10 -6 Al atoms/electron was determined by comparison with sputtering measurements in the same apparatus. This is the first observation of electron-stimulated metal desorption from adsorbate-covered metallic surfaces

  1. A unified model for diffractive and inelastic scattering of a light atom from a solid surface

    International Nuclear Information System (INIS)

    Adams, J.E.; Miller, W.H.

    1979-01-01

    A simple model for gas-surface scattering is presented which permits treatment of inelastic effects in diffractive systems. The model, founded on an impulsive collision assumption, leads to an intensity distribution which is just a sum of contributions from n-phonon scattering events. Furthemore, by using a convenient form for the repulsive interaction potential, analytic expressions are obtained for the elastic and one-phonon intensities that are in qualitative agreement with experimental results. (Auth.)

  2. Implanting very low energy atomic ions into surface adsorbed cage molecules: the formation/emission of Cs/C60+

    International Nuclear Information System (INIS)

    Kolodney, Eli; Kaplan, Andrey; Manor, Yoni; Bekkerman, Anatoly; Tsipinyuk, Boris

    2004-01-01

    Full Text: We demonstrate the formation of an endo-complex via a collision of energetic ions with molecular overlayers on a surface. An incoming atomic ion is encapsulated inside a very large molecule or cluster by implanting the primary ion into the target species, which then recovers its original structure or rearrange itself around the implanted ion in some stable configuration. Here we describe an experiment resulting in the formation and ejection of an endo-complex, within a single collision. We study the formation and emission of endohedral fullerenes, Cs/C 60 + and Cs/C 70 + , following a single collision of Cs + ion with a sub-monolayer of C 60 (steady state coverage) on gold and silicon surfaces and with a sub-monolayer of C 70 on gold. A continuous low energy (E 0 =35-220 eV) Cs + ion beam hit the Cs + covered surface and the collisional formation and ejection of the endohedral Cs/Cs 60 + complex, within a single Cs + /C 60 collision was observed and characterized. Several experimental observations clearly demonstrate the single collision nature of the combined atom penetration endo-complex ejection event. The fullerene molecule is actually being picked up off the surface by the penetrating Cs + ion. The evidence for the trapping of the Cs + ion inside the fullerene cage is given both by the appearance of the Cs/Cs (602-2n) + (n=1-5) sequence and its termination at Cs/Cs 50 + . Kinetic Energy Distributions (KEDs) of the outgoing Cs/Cs 60 + were measured for two different Cs + impact energies under field-free conditions. The most striking observation is the near independence of the KEDs on the impact energy. Both KEDs peak around 1.2 eV with similar line shapes. A simple model for the formation/ejection/fragmentation dynamics of the endohedral complex is proposed and is found to be in good agreement with the experimental results

  3. Constructing Functional Ionic Membrane Surface by Electrochemically Mediated Atom Transfer Radical Polymerization

    Directory of Open Access Journals (Sweden)

    Fen Ran

    2016-01-01

    Full Text Available The sodium polyacrylate (PAANa contained polyethersulfone membrane that was fabricated by preparation of PES-NH2 via nonsolvent phase separation method, the introduction of bromine groups as active sites by grafting α-Bromoisobutyryl bromide, and surface-initiated electrochemically atom transfer radical polymerization (SI-eATRP of sodium acrylate (AANa on the surface of PES membrane. The polymerization could be controlled by reaction condition, such as monomer concentration, electric potential, polymerization time, and modifier concentration. The membrane surface was uniform when the monomer concentration was 0.9 mol/L, the electric potential was −0.12 V, the polymerization time was 8 h, and the modifier concentration was 2 wt.%. The membrane showed excellent hydrophilicity and blood compatibility. The water contact angle decreased from 84° to 68° and activated partial thromboplastin increased from 51 s to 84 s after modification of the membranes.

  4. Kirchhoff approximation and closed-form expressions for atom-surface scattering

    International Nuclear Information System (INIS)

    Marvin, A.M.

    1980-01-01

    In this paper an approximate solution for atom-surface scattering is presented beyond the physical optics approximation. The potential is well represented by a hard corrugated surface but includes an attractive tail in front. The calculation is carried out analytically by two different methods, and the limit of validity of our formulas is well established in the text. In contrast with other workers, I find those expressions to be exact in both limits of small (Rayleigh region) and large momenta (classical region), with the correct behavior at the threshold. The result is attained through a particular use of the extinction theorem in writing the scattered amplitudes, hitherto not employed, and not for particular boundary values of the field. An explicit evaluation of the field on the surface shows in fact the present formulas to be simply related to the well known Kirchhoff approximation (KA) or more generally to an ''extended'' KA fit to the potential model above. A possible application of the theory to treat strong resonance-overlapping effects is suggested in the last part of the work

  5. Atomic layer deposition in nanostructured photovoltaics: tuning optical, electronic and surface properties

    Science.gov (United States)

    Palmstrom, Axel F.; Santra, Pralay K.; Bent, Stacey F.

    2015-07-01

    Nanostructured materials offer key advantages for third-generation photovoltaics, such as the ability to achieve high optical absorption together with enhanced charge carrier collection using low cost components. However, the extensive interfacial areas in nanostructured photovoltaic devices can cause high recombination rates and a high density of surface electronic states. In this feature article, we provide a brief review of some nanostructured photovoltaic technologies including dye-sensitized, quantum dot sensitized and colloidal quantum dot solar cells. We then introduce the technique of atomic layer deposition (ALD), which is a vapor phase deposition method using a sequence of self-limiting surface reaction steps to grow thin, uniform and conformal films. We discuss how ALD has established itself as a promising tool for addressing different aspects of nanostructured photovoltaics. Examples include the use of ALD to synthesize absorber materials for both quantum dot and plasmonic solar cells, to grow barrier layers for dye and quantum dot sensitized solar cells, and to infiltrate coatings into colloidal quantum dot solar cell to improve charge carrier mobilities as well as stability. We also provide an example of monolayer surface modification in which adsorbed ligand molecules on quantum dots are used to tune the band structure of colloidal quantum dot solar cells for improved charge collection. Finally, we comment on the present challenges and future outlook of the use of ALD for nanostructured photovoltaics.

  6. Adsorption of chitosan onto carbonaceous surfaces and its application: atomic force microscopy study

    International Nuclear Information System (INIS)

    Tan Shengnan; Liu Zhiguo; Zu Yuangang; Fu Yujie; Xing Zhimin; Zhao Lin; Sun Tongze; Zhou Zhen

    2011-01-01

    The adsorption of chitosan onto highly ordered pyrolytic graphite(HOPG) surfaces and its applications have been studied by atomic force microscopy (AFM). The results indicated that chitosan topography formed on the HOPG surface significantly depends on the pH conditions and its concentration for the incubation. Under strongly acidic conditions (pH -1 , chitosan formed into uniform network structures composed of fine chains. When the solution pH was changed from 3.5 to 6.5, chitosan tends to form a thicker film. Under neutral and basic conditions, chitosan changed into spherical nanoparticles, and their sizes were increased with increasing pH. Dendritic structures have been observed when the chitosan concentration was increased up to 5 mg ml -1 . In addition, the chitosan topography can also be influenced by ionic strength and the addition of different metal ions. When 0.1 M metal ions Na + , Mg 2+ , Ca 2+ and Cu 2+ were added into the chitosan solution at pH 3.0 for the incubation, network structures, branched chains, block structures and dense networks attached with many small particles were observed, respectively. The potential applications of these chitosan structures on HOPG have been explored. Preliminary results characterized by AFM and XPS indicated that the chitosan network formed on the HOPG surface can be used for AFM lithography, selective adsorption of gold nanoparticles and DNA molecules.

  7. Evaluation of surface roughness of orthodontic wires by means of atomic force microscopy.

    Science.gov (United States)

    D'Antò, Vincenzo; Rongo, Roberto; Ametrano, Gianluca; Spagnuolo, Gianrico; Manzo, Paolo; Martina, Roberto; Paduano, Sergio; Valletta, Rosa

    2012-09-01

    To compare the surface roughness of different orthodontic archwires. Four nickel-titanium wires (Sentalloy(®), Sentalloy(®) High Aesthetic, Titanium Memory ThermaTi Lite(®), and Titanium Memory Esthetic(®)), three β-titanium wires (TMA(®), Colored TMA(®), and Beta Titanium(®)), and one stainless-steel wire (Stainless Steel(®)) were considered for this study. Three samples for each wire were analyzed by atomic force microscopy (AFM). Three-dimensional images were processed using Gwiddion software, and the roughness average (Ra), the root mean square (Rms), and the maximum height (Mh) values of the scanned surface profile were recorded. Statistical analysis was performed by one-way analysis of variance (ANOVA) followed by Tukey's post hoc test (P Sentalloy High Aesthetic was the roughest (Ra  =  133.5 ± 10.8; Rms  =  165.8 ± 9.8; Mh  =  949.6 ± 192.1) of the archwires. The surface quality of the wires investigated differed significantly. Ion implantation effectively reduced the roughness of TMA. Moreover, Teflon(®)-coated Titanium Memory Esthetic was less rough than was ion-implanted Sentalloy High Aesthetic.

  8. Surface modification of nanodiamond through metal free atom transfer radical polymerization

    Science.gov (United States)

    Zeng, Guangjian; Liu, Meiying; Shi, Kexin; Heng, Chunning; Mao, Liucheng; Wan, Qing; Huang, Hongye; Deng, Fengjie; Zhang, Xiaoyong; Wei, Yen

    2016-12-01

    Surface modification of nanodiamond (ND) with poly(2-methacryloyloxyethyl phosphorylcholine) [poly(MPC)] has been achieved by using metal free surface initiated atom transfer radical polymerization (SI-ATRP). The ATRP initiator was first immobilized on the surface of ND through direct esterification reaction between hydroxyl group of ND and 2-bromoisobutyryl bromide. The initiator could be employed to obtain ND-poly(MPC) nanocomposites through SI-ATRP using an organic catalyst. The final functional materials were characterized by 1H nuclear magnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and thermo gravimetric analysis in detailed. All of these characterization results demonstrated that ND-poly(MPC) have been successfully obtained via metal free photo-initiated SI-ATRP. The ND-poly(MPC) nanocomposites shown enhanced dispersibility in various solvents as well as excellent biocompatibility. As compared with traditional ATRP, the metal free ATRP is rather simple and effective. More importantly, this preparation method avoided the negative influence of metal catalysts. Therefore, the method described in this work should be a promising strategy for fabrication of polymeric nanocomposites with great potential for different applications especially in biomedical fields.

  9. Numeral series hidden in the distribution of atomic mass of amino acids to codon domains in the genetic code.

    Science.gov (United States)

    Wohlin, Åsa

    2015-03-21

    The distribution of codons in the nearly universal genetic code is a long discussed issue. At the atomic level, the numeral series 2x(2) (x=5-0) lies behind electron shells and orbitals. Numeral series appear in formulas for spectral lines of hydrogen. The question here was if some similar scheme could be found in the genetic code. A table of 24 codons was constructed (synonyms counted as one) for 20 amino acids, four of which have two different codons. An atomic mass analysis was performed, built on common isotopes. It was found that a numeral series 5 to 0 with exponent 2/3 times 10(2) revealed detailed congruency with codon-grouped amino acid side-chains, simultaneously with the division on atom kinds, further with main 3rd base groups, backbone chains and with codon-grouped amino acids in relation to their origin from glycolysis or the citrate cycle. Hence, it is proposed that this series in a dynamic way may have guided the selection of amino acids into codon domains. Series with simpler exponents also showed noteworthy correlations with the atomic mass distribution on main codon domains; especially the 2x(2)-series times a factor 16 appeared as a conceivable underlying level, both for the atomic mass and charge distribution. Furthermore, it was found that atomic mass transformations between numeral systems, possibly interpretable as dimension degree steps, connected the atomic mass of codon bases with codon-grouped amino acids and with the exponent 2/3-series in several astonishing ways. Thus, it is suggested that they may be part of a deeper reference system. Copyright © 2015 The Author. Published by Elsevier Ltd.. All rights reserved.

  10. Micropatterning of bacteria on two-dimensional lattice protein surface observed by atomic force microscopy

    International Nuclear Information System (INIS)

    Oh, Y.J.; Jo, W.; Lim, J.; Park, S.; Kim, Y.S.; Kim, Y.

    2008-01-01

    In this study, we characterized the two-dimensional lattice of bovine serum albumin (BSA) as a chemical and physical barrier against bacterial adhesion, using fluorescence microscopy and atomic force microscopy (AFM). The lattice of BSA on glass surface was fabricated by micro-contact printing (μCP), which is a useful way to pattern a wide range of molecules into microscale features on different types of substrates. The contact-mode AFM measurements showed that the average height of the printed BSA monolayer was 5-6 nm. Escherichia coli adhered rapidly on bare glass slide, while the bacterial adhesion was minimized on the lattices in the range of 1-3 μm 2 . Especially, the bacterial adhesion was completely inhibited on a 1 μm 2 lattice. The results suggest that the anti-adhesion effects are due by the steric repulsion forces exerted by BSA

  11. Scanning tunneling microscopy of the atomically smooth (001) surface of vanadium pentoxide V_2O_5 crystals

    International Nuclear Information System (INIS)

    Muslimov, A. E.; Butashin, A. V.; Kanevsky, V. M.

    2017-01-01

    The (001) cleavage surface of vanadium pentoxide (V_2O_5) crystal has been studied by scanning tunneling spectroscopy (STM). It is shown that the surface is not reconstructed; the STM image allows geometric lattice parameters to be determined with high accuracy. The nanostructure formed on the (001) cleavage surface of crystal consists of atomically smooth steps with a height multiple of unit-cell parameter c = 4.37 Å. The V_2O_5 crystal cleavages can be used as references in calibration of a scanning tunneling microscope under atmospheric conditions both along the (Ñ…, y) surface and normally to the sample surface (along the z axis). It is found that the terrace surface is not perfectly atomically smooth; its roughness is estimated to be ~0.5 Å. This circumstance may introduce an additional error into the microscope calibration along the z coordinate.

  12. Deepwater Horizon - Estimating surface oil volume distribution in real time

    Science.gov (United States)

    Lehr, B.; Simecek-Beatty, D.; Leifer, I.

    2011-12-01

    Spill responders to the Deepwater Horizon (DWH) oil spill required both the relative spatial distribution and total oil volume of the surface oil. The former was needed on a daily basis to plan and direct local surface recovery and treatment operations. The latter was needed less frequently to provide information for strategic response planning. Unfortunately, the standard spill observation methods were inadequate for an oil spill this size, and new, experimental, methods, were not ready to meet the operational demands of near real-time results. Traditional surface oil estimation tools for large spills include satellite-based sensors to define the spatial extent (but not thickness) of the oil, complemented with trained observers in small aircraft, sometimes supplemented by active or passive remote sensing equipment, to determine surface percent coverage of the 'thick' part of the slick, where the vast majority of the surface oil exists. These tools were also applied to DWH in the early days of the spill but the shear size of the spill prevented synoptic information of the surface slick through the use small aircraft. Also, satellite images of the spill, while large in number, varied considerably in image quality, requiring skilled interpretation of them to identify oil and eliminate false positives. Qualified staff to perform this task were soon in short supply. However, large spills are often events that overcome organizational inertia to the use of new technology. Two prime examples in DWH were the application of hyper-spectral scans from a high-altitude aircraft and more traditional fixed-wing aircraft using multi-spectral scans processed by use of a neural network to determine, respectively, absolute or relative oil thickness. But, with new technology, come new challenges. The hyper-spectral instrument required special viewing conditions that were not present on a daily basis and analysis infrastructure to process the data that was not available at the command

  13. PREFACE: International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS2014)

    Science.gov (United States)

    Ancarani, Lorenzo Ugo

    2015-04-01

    This volume contains a collection of contributions from the invited speakers at the 2014 edition of the International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces held in Metz, France, from 15th to 18th July 2014. This biennial conference alternates with the ICPEAC satellite International Symposium on (e,2e), Double Photoionization and Related Topics, and is concerned with experimental and theoretical studies of radiation interactions with matter. These include many-body and electron-electron correlation effects in excitation, and in single and multiple ionization of atoms, molecules, clusters and surfaces with various projectiles: electrons, photons and ions. More than 80 scientists, from 19 different countries around the world, came together to discuss the most recent progress on these topics. The scientific programme included 28 invited talks and a poster session extending over the three days of the meeting. Amongst the 51 posters, 11 have been selected and were advertised through short talks. Besides, Professor Nora Berrah gave a talk in memory of Professor Uwe Becker who sadly passed away shortly after co-chairing the previous edition of this conference. Financial support from the Institut Jean Barriol, Laboratoire SRSMC, Groupement de Recherche THEMS (CNRS), Ville de Metz, Metz Métropole, Conseil Général de la Moselle and Région Lorraine is gratefully acknowledged. Finally, I would like to thank the members of the local committee and the staff of the Université de Lorraine for making the conference run smoothly, the International Advisory Board for building up the scientific programme, the sessions chairpersons, those who gave their valuable time in carefully refereeing the articles of this volume and last, but not least, all participants for contributing to lively and fruitful discussions throughout the meeting.

  14. The Influence of Atoms-in Molecules Methods on Shared Electron Distribution Indices and Domain Averaged Fermi Holes

    Czech Academy of Sciences Publication Activity Database

    Bultinck, P.; Cooper, D.L.; Ponec, Robert

    2010-01-01

    Roč. 114, č. 33 (2010), s. 8754-8763 ISSN 1089-5639 R&D Projects: GA ČR GA203/09/0118 Institutional research plan: CEZ:AV0Z40720504 Keywords : shared electron distribution index * domain averaged fermi holes * atoms in molecules Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.732, year: 2010

  15. Counterintuitive angular shifts in the photoelectron momentum distribution for atoms in strong few-cycle circularly polarized laser pulses

    DEFF Research Database (Denmark)

    Martiny, Christian; Abu-Samha, Mahmoud; Madsen, Lars Bojer

    2009-01-01

    We solve the three-dimensional time-dependent Schrödinger equation for a three-cycle circularly polarized laser pulse interacting with an atom. The photoelectron momentum distributions show counterintuitive shifts, similar to those observed in a recent experiment (Eckle et al 2008 Science 322 1525...

  16. Magnetization distribution of single-particle states and 2/sup +/ rotational states from muonic atoms

    CERN Document Server

    Backe, H; Engfer, R; Kankeleit, E; Link, R; Michaelsen, R; Petitjean, C; Schellenberg, L; Schneuwly, H; Schröder, W U; Vuilleumier, J L; Walter, H K; Zehnder, A

    1973-01-01

    The lowest states in muonic atoms are rather sensitive to the spatial distribution of the nuclear magnetization density, and several results were deduced from the broadening of the muonic 2p/sub 1/2/-1s/sub 1/2/ and 3d/sub 3/2/-2p/sub 1/2/ transitions. By measuring low energetic transitions such as the 2s/sub 1/2/-2p/sub 1/2/ transition or nuclear gamma -transitions, it is possible to resolve the magnetic hyperfine splittings. The magnetic hf splitting of the 2s/sub 1/2/-2p/sub 1/2/ transition in mu /sup 115/In and of the 3/2/sup +/-1/2/sup +/ nuclear gamma -transitions in mu /sup 203/Tl at 279 keV, and in mu /sup 205/Tl at 204 keV, have been resolved. For the 2/sup +/-0/sup +/ nuclear gamma -transition in mu /sup 190,192/Os at 187 keV and 206 keV, respectively, the magnetic hf splitting of the 2/sup +/ rotational levels and the intensities of the hf components were determined from a nearly resolved doublet splitting. (7 refs).

  17. Nanostructural Deformation Analysis of Calcium Silicate Hydrate in Portland Cement Paste by Atomic Pair Distribution Function

    Directory of Open Access Journals (Sweden)

    Hiroshi Suzuki

    2016-01-01

    Full Text Available The deformation of nanostructure of calcium silicate hydrate (C-S-H in Portland cement (PC paste under compression was characterized by the atomic pair distribution function (PDF, measured using synchrotron X-ray diffraction. The PDF of the PC paste exhibited a unique deformation behavior for a short-range order below 2.0 nm, close to the size of the C-S-H globule, while the deformation for a long-range order was similar to that of a calcium hydroxide phase measured by Bragg peak shift. The compressive deformation of the C-S-H nanostructure was comprised of three stages with different interactions between globules. This behavior would originate from the granular nature of C-S-H, which deforms with increasing packing density by slipping the interfaces between globules, rearranging the overall C-S-H nanostructure. This new approach will lead to increasing applications of the PDF technique to understand the deformation mechanism of C-S-H in PC-based materials.

  18. Features of static and dynamic friction profiles in one and two dimensions on polymer and atomically flat surfaces using atomic force microscopy

    International Nuclear Information System (INIS)

    Watson, G S; Watson, J A

    2008-01-01

    In this paper we correlate the Atomic Force Microscope probe movement with surface location while scanning in the imaging and Force versus distance modes. Static and dynamic stick-slip processes are described on a scale of nanometres to microns on a range of samples. We demonstrate the limits and range of the tip apex being fixed laterally in the force versus distance mode and static friction slope dependence on probe parameters. Micron scale static and dynamic friction can be used to purposefully manipulate soft surfaces to produce well defined frictional gradients

  19. Measurement of Tritium Surface Distribution on TFTR Bumper Limiter Tiles

    International Nuclear Information System (INIS)

    Sugiyama, K.; Tanabe, T.; Skinner, C.H.; Gentile, C.A.

    2004-01-01

    The tritium surface distribution on graphite tiles used in the Tokamak Fusion Test Reactor (TFTR) bumper limiter and exposed to TFTR deuterium-tritium (D-T) discharges from 1993 to 1997 was measured by the Tritium Imaging Plate Technique (TIPT). The TFTR bumper limiter shows both re-/co-deposition and erosion. The tritium images for all tiles measured are strongly correlated with erosion and deposition patterns, and long-term tritium retention was found in the re-/co-depositions and flakes. The CFC tiles located at erosion dominated areas clearly showed their woven structure in their tritium images owing to different erosion yields between fibers and matrix. Significantly high tritium retention was observed on all sides of the erosion tiles, indicating carbon transport via repetition of local erosion/deposition cycles

  20. Formaldehyde Surface Distributions and Variability in the Mexico City Basin

    Science.gov (United States)

    Junkermann, W.; Mohr, C.; Steinbrecher, R.; Ruiz Suarez, L.

    2007-05-01

    Formaldehyde ambient air mole fractions were measured throughout the dry season in March at three different locations in the Mexico City basin. The continuously running instruments were operated at Tenago del Aire, a site located in the Chalco valley in the southern venting area of the basin, at the Intituto Mexicano del Petroleo (IMP) in the northern part of the city and about 30 km north of the city at the campus of the Universidad Tecnològica de Tecamac (UTTEC). The technique used is the Hantzsch technology with a time resolution of 2 minutes and a detection limit of 100 ppt. Daily maxima peaked at 35 ppb formaldehyde in the city and about 15 to 20 ppb at the other sites. During night formaldehyde levels dropped to about 5 ppb or less. It is evident that the observed spatial and temporal variability in near surface formaldehyde distributions is strongly affected by local and regional advection processes.

  1. Environmental conditioning on uranium surface distribution in the tropical region

    International Nuclear Information System (INIS)

    Silva, Heitor Evangelista da; Licinio, Marcus V.S.; Miranda, Marcio R.

    2001-01-01

    Based on a high resolution aerogammaspectrometer survey over the State of Rio de Janeiro, it is presented an associative study of equivalent uranium concentration and environmental parameters. The aspects considered in this study included geological domains like Sandys, Gnaisses, Granites, Xists; soils domains like Organic and Alluvial ones, Litolic, Glei, Podzolic, Red-yellow, Latossolo, Planossolo, Red bruizem, Cambissolo, Hidromorphic Podzol, Yellow latossolo; geomorphology (Coast Plains and River Accumulation Land, Coast Tabulators, Pomba-Muriae Rivers Spread Depression, Northern Mantiqueira, main Hills and Coastal Rock Massifs, Steep slopes and Reverses of Serra do Mar Mountain Range ,Serra dos Orgaos Mountain Range and Bocaina Tablelands), Paraiba do Sul Crests Alignment, Medium Paraiba do Sul Depression); influence of mean annual rain intensity and hydrographical categories were also evaluated. Geoprocessing of each environmental data base at the same cartographical base of uranium surface distribution was the basic methodology employed. (author)

  2. Effect of antimony nano-scale surface-structures on a GaSb/AlAsSb distributed Bragg reflector

    International Nuclear Information System (INIS)

    Husaini, S.; Shima, D.; Ahirwar, P.; Rotter, T. J.; Hains, C. P.; Dang, T.; Bedford, R. G.; Balakrishnan, G.

    2013-01-01

    Effects of antimony crystallization on the surface of GaSb during low temperature molecular beam epitaxy growth are investigated. The geometry of these structures is studied via transmission electron and atomic force microscopies, which show the surface metal forms triangular-shaped, elongated nano-wires with a structured orientation composed entirely of crystalline antimony. By depositing antimony on a GaSb/AlAsSb distributed Bragg reflector, the field is localized within the antimony layer. Polarization dependent transmission measurements are carried out on these nano-structures deposited on a GaSb/AlAsSb distributed Bragg reflector. It is shown that the antimony-based structures at the surface favor transmission of light polarized perpendicular to the wires.

  3. 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...

  4. Atomic and electronic structure of the CdTe(111)B–(2√3 × 4) orthogonal surface

    Energy Technology Data Exchange (ETDEWEB)

    Bekenev, V. L., E-mail: bekenev@ipms.kiev.ua; Zubkova, S. M. [National Academy of Sciences of Ukraine, Frantsevych Institute for Problems of Materials Science (Ukraine)

    2017-01-15

    The atomic and electronic structure of four variants of Te-terminated CdTe(111)B–(2√3 × 4) orthogonal polar surface (ideal, relaxed, reconstructed, and reconstructed with subsequent relaxation) are calculated ab initio for the first time. The surface is modeled by a film composed of 12 atomic layers with a vacuum gap of ~16 Å in the layered superlattice approximation. To close Cd dangling bonds on the opposite side of the film, 24 fictitious hydrogen atoms with a charge of 1.5 electrons each are added. Ab initio calculations are performed using the Quantum Espresso program based on density functional theory. It is demonstrated that relaxation leads to splitting of the four upper layers. The band energy structures and total and layer-by-layer densities of electronic states for the four surface variants are calculated and analyzed.

  5. Atomic Scale coexistence of Periodic and quasiperiodic order in a2-fold A1-Ni-Co decagonal quasicrystal surface

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jeong Young; Ogletree, D. Frank; Salmeron, Miquel; Ribeiro,R.A.; Canfield, P.C.; Jenks, C.J.; Thiel, P.A.

    2005-11-14

    Decagonal quasicrystals are made of pairs of atomic planes with pentagonal symmetry periodically stacked along a 10-fold axis. We have investigated the atomic structure of the 2-fold surface of a decagonal Al-Ni-Co quasicrystal using scanning tunneling microscopy (STM). The surface consists of terraces separated by steps of heights 1.9, 4.7, 7.8, and 12.6{angstrom} containing rows of atoms parallel to the 10-fold direction with an internal periodicity of 4{angstrom}. The rows are arranged aperiodically, with separations that follow a Fibonacci sequence and inflation symmetry. The results indicate that the surfaces are preferentially Al-terminated and in general agreement with bulk models.

  6. Effect of ozone concentration on silicon surface passivation by atomic layer deposited Al2O3

    International Nuclear Information System (INIS)

    Gastrow, Guillaume von; Li, Shuo; Putkonen, Matti; Laitinen, Mikko; Sajavaara, Timo; Savin, Hele

    2015-01-01

    Highlights: • The ALD Al 2 O 3 passivation quality can be controlled by the ozone concentration. • Ozone concentration affects the Si/Al 2 O 3 interface charge and defect density. • A surface recombination velocity of 7 cm/s is reached combining ozone and water ALD. • Carbon and hydrogen concentrations correlate with the surface passivation quality. - Abstract: We study the impact of ozone-based Al 2 O 3 Atomic Layer Deposition (ALD) on the surface passivation quality of crystalline silicon. We show that the passivation quality strongly depends on the ozone concentration: the higher ozone concentration results in lower interface defect density and thereby improved passivation. In contrast to previous studies, our results reveal that too high interface hydrogen content can be detrimental to the passivation. The interface hydrogen concentration can be optimized by the ozone-based process; however, the use of pure ozone increases the harmful carbon concentration in the film. Here we demonstrate that low carbon and optimal hydrogen concentration can be achieved by a single process combining the water- and ozone-based reactions. This process results in an interface defect density of 2 × 10 11 eV −1 cm −2 , and maximum surface recombination velocities of 7.1 cm/s and 10 cm/s, after annealing and after an additional firing at 800 °C, respectively. In addition, our results suggest that the effective oxide charge density can be optimized in a simple way by varying the ozone concentration and by injecting water to the ozone process.

  7. Protective capping and surface passivation of III-V nanowires by atomic layer deposition

    Directory of Open Access Journals (Sweden)

    Veer Dhaka

    2016-01-01

    Full Text Available Low temperature (∼200 °C grown atomic layer deposition (ALD films of AlN, TiN, Al2O3, GaN, and TiO2 were tested for protective capping and surface passivation of bottom-up grown III-V (GaAs and InP nanowires (NWs, and top-down fabricated InP nanopillars. For as-grown GaAs NWs, only the AlN material passivated the GaAs surface as measured by photoluminescence (PL at low temperatures (15K, and the best passivation was achieved with a few monolayer thick (2Å film. For InP NWs, the best passivation (∼2x enhancement in room-temperature PL was achieved with a capping of 2nm thick Al2O3. All other ALD capping layers resulted in a de-passivation effect and possible damage to the InP surface. Top-down fabricated InP nanopillars show similar passivation effects as InP NWs. In particular, capping with a 2 nm thick Al2O3 layer increased the carrier decay time from 251 ps (as-etched nanopillars to about 525 ps. Tests after six months ageing reveal that the capped nanostructures retain their optical properties. Overall, capping of GaAs and InP NWs with high-k dielectrics AlN and Al2O3 provides moderate surface passivation as well as long term protection from oxidation and environmental attack.

  8. Protective capping and surface passivation of III-V nanowires by atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Dhaka, Veer, E-mail: veer.dhaka@aalto.fi; Perros, Alexander; Kakko, Joona-Pekko; Haggren, Tuomas; Lipsanen, Harri [Department of Micro- and Nanosciences, Micronova, Aalto University, P.O. Box 13500, FI-00076 (Finland); Naureen, Shagufta; Shahid, Naeem [Research School of Physics & Engineering, Department of Electronic Materials Engineering, Australian National University, Canberra ACT 2601 (Australia); Jiang, Hua; Kauppinen, Esko [Department of Applied Physics and Nanomicroscopy Center, Aalto University, P.O. Box 15100, FI-00076 (Finland); Srinivasan, Anand [School of Information and Communication Technology, KTH Royal Institute of Technology, Electrum 229, S-164 40 Kista (Sweden)

    2016-01-15

    Low temperature (∼200 °C) grown atomic layer deposition (ALD) films of AlN, TiN, Al{sub 2}O{sub 3}, GaN, and TiO{sub 2} were tested for protective capping and surface passivation of bottom-up grown III-V (GaAs and InP) nanowires (NWs), and top-down fabricated InP nanopillars. For as-grown GaAs NWs, only the AlN material passivated the GaAs surface as measured by photoluminescence (PL) at low temperatures (15K), and the best passivation was achieved with a few monolayer thick (2Å) film. For InP NWs, the best passivation (∼2x enhancement in room-temperature PL) was achieved with a capping of 2nm thick Al{sub 2}O{sub 3}. All other ALD capping layers resulted in a de-passivation effect and possible damage to the InP surface. Top-down fabricated InP nanopillars show similar passivation effects as InP NWs. In particular, capping with a 2 nm thick Al{sub 2}O{sub 3} layer increased the carrier decay time from 251 ps (as-etched nanopillars) to about 525 ps. Tests after six months ageing reveal that the capped nanostructures retain their optical properties. Overall, capping of GaAs and InP NWs with high-k dielectrics AlN and Al{sub 2}O{sub 3} provides moderate surface passivation as well as long term protection from oxidation and environmental attack.

  9. Heterogeneous and Evolving Distributions of Pluto's Volatile Surface Ices

    Science.gov (United States)

    Grundy, William M.; Olkin, C. B.; Young, L. A.; Buie, M. W.; Young, E. F.

    2013-10-01

    We report observations of Pluto's 0.8 to 2.4 µm reflectance spectrum with IRTF/SpeX on 70 nights over the 13 years from 2001 to 2013. The spectra show numerous vibrational absorption features of simple molecules CH4, CO, and N2 condensed as ices on Pluto's surface. These absorptions are modulated by the planet's 6.39 day rotation period, enabling us to constrain the longitudinal distributions of the three ices. Absorptions of CO and N2 are concentrated on Pluto's anti-Charon hemisphere, unlike absorptions of less volatile CH4 ice that are offset by roughly 90° from the longitude of maximum CO and N2 absorption. In addition to the diurnal/longitudinal variations, the spectra show longer term trends. On decadal timescales, Pluto's stronger CH4 absorption bands have deepened, while the amplitude of their diurnal variation has diminished, consistent with additional CH4 absorption by high northern latitude regions rotating into view as the sub-Earth latitude moves north (as defined by the system's angular momentum vector). Unlike the CH4 absorptions, Pluto's CO and N2 absorptions are declining over time, suggesting more equatorial or southerly distributions of those species. The authors gratefully thank the staff of IRTF for their tremendous assistance over the dozen+ years of this project. The work was funded in part by NSF grants AST-0407214 and AST-0085614 and NASA grants NAG5-4210 and NAG5-12516.

  10. Impact of vegetation growth on urban surface temperature distribution

    International Nuclear Information System (INIS)

    Buyadi, S N A; Mohd, W M N W; Misni, A

    2014-01-01

    Earlier studies have indicated that, the temperature distribution in the urban area is significantly warmer than its surrounding suburban areas. The process of urbanization has created urban heat island (UHI). As a city expands, trees are cut down to accommodate commercial development, industrial areas, roads, and suburban growth. Trees or green areas normally play a vital role in mitigating the UHI effects especially in regulating high temperature in saturated urban areas. This study attempts to assess the effects of vegetation growth on land surface temperature (LST) distribution in urban areas. An area within the City of Shah Alam, Selangor has been selected as the study area. Land use/land cover and LST maps of two different dates are generated from Landsat 5 TM images of the year 1991 and 2009. Only five major land cover classes are considered in this study. Mono-window algorithm is used to generate the LST maps. Landsat 5 TM images are also used to generate the NDVI maps. Results from this study have shown that there are significant land use changes within the study area. Although the conversion of green areas into residential and commercial areas significantly increase the LST, matured trees will help to mitigate the effects of UHI

  11. Charge-state-distributions of foil-excited heavy Rydberg atoms

    International Nuclear Information System (INIS)

    Faibis, A.; Kanter, E.P.; Koenig, W.; Zabransky, B.J.

    1985-01-01

    Studies of foil-excited fast (MeV/amu) heavy ions have demonstrated large yields of high Rydberg atoms formed in such beams. Further experiments have suggested a strong target-thickness dependence of the yields of such atoms. These results have been puzzling in view of the supposed short mean free paths of such atoms in solids. In an effort to better understand these results, the authors have measured the yields of Rydberg atoms (napprox.100-200) in foil-excited 32 S ions at an incident energy of 125 MeV

  12. Rocket Engine Turbine Blade Surface Pressure Distributions Experiment and Computations

    Science.gov (United States)

    Hudson, Susan T.; Zoladz, Thomas F.; Dorney, Daniel J.; Turner, James (Technical Monitor)

    2002-01-01

    Understanding the unsteady aspects of turbine rotor flow fields is critical to successful future turbine designs. A technology program was conducted at NASA's Marshall Space Flight Center to increase the understanding of unsteady environments for rocket engine turbines. The experimental program involved instrumenting turbine rotor blades with miniature surface mounted high frequency response pressure transducers. The turbine model was then tested to measure the unsteady pressures on the rotor blades. The data obtained from the experimental program is unique in two respects. First, much more unsteady data was obtained (several minutes per set point) than has been possible in the past. Also, an extensive steady performance database existed for the turbine model. This allowed an evaluation of the effect of the on-blade instrumentation on the turbine's performance. A three-dimensional unsteady Navier-Stokes analysis was also used to blindly predict the unsteady flow field in the turbine at the design operating conditions and at +15 degrees relative incidence to the first-stage rotor. The predicted time-averaged and unsteady pressure distributions show good agreement with the experimental data. This unique data set, the lessons learned for acquiring this type of data, and the improvements made to the data analysis and prediction tools are contributing significantly to current Space Launch Initiative turbine airflow test and blade surface pressure prediction efforts.

  13. Classical theory for the in-plane scattering of atoms from corrugated surfaces: application to the Ar-Ag(111) system.

    Science.gov (United States)

    Pollak, Eli; Miret-Artés, Salvador

    2009-05-21

    A classical Wigner in-plane atom surface scattering perturbation theory within the generalized Langevin equation formalism is proposed and discussed with applications to the Ar-Ag(111) system. The theory generalizes the well-known formula of Brako as well as the "washboard model." Explicit expressions are derived for the joint angular and final momentum distributions, joint final energy, and angular distributions as well as average energy losses to the surface. The theory provides insight into the intertwining between the energy loss and angular dependence of the scattering. At low energies the energy loss in the horizontal direction is expected to be large, leading to a shift of the maximum of the angular distribution to subspecular angles, while at high energies the energy loss in the vertical direction dominates, leading to a superspecular maximum in the angular distribution. The same effect underlies the negative slope of the average final (relative) energy versus scattering angle at low energies which becomes positive at high energies. The theory also predicts that the full width at half maximum of the angular distribution varies as the square root of the temperature. We show how the theory provides insight into the experimental results for scattering of Ar from the Ag(111) surface.

  14. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions.

    Science.gov (United States)

    Feng, Zhenxing; Hong, Wesley T; Fong, Dillon D; Lee, Yueh-Lin; Yacoby, Yizhak; Morgan, Dane; Shao-Horn, Yang

    2016-05-17

    Electrocatalysts play an important role in catalyzing the kinetics for oxygen reduction and oxygen evolution reactions for many air-based energy storage and conversion devices, such as metal-air batteries and fuel cells. Although noble metals have been extensively used as electrocatalysts, their limited natural abundance and high costs have motivated the search for more cost-effective catalysts. Oxides are suitable candidates since they are relatively inexpensive and have shown reasonably high activity for various electrochemical reactions. However, a lack of fundamental understanding of the reaction mechanisms has been a major hurdle toward improving electrocatalytic activity. Detailed studies of the oxide surface atomic structure and chemistry (e.g., cation migration) can provide much needed insights for the design of highly efficient and stable oxide electrocatalysts. In this Account, we focus on recent advances in characterizing strontium (Sr) cation segregation and enrichment near the surface of Sr-substituted perovskite oxides under different operating conditions (e.g., high temperature, applied potential), as well as their influence on the surface oxygen exchange kinetics at elevated temperatures. We contrast Sr segregation, which is associated with Sr redistribution in the crystal lattice near the surface, with Sr enrichment, which involves Sr redistribution via the formation of secondary phases. The newly developed coherent Bragg rod analysis (COBRA) and energy-modulated differential COBRA are uniquely powerful ways of providing information about surface and interfacial cation segregation at the atomic scale for these thin film electrocatalysts. In situ ambient pressure X-ray photoelectron spectroscopy (APXPS) studies under electrochemical operating conditions give additional insights into cation migration. Direct COBRA and APXPS evidence for surface Sr segregation was found for La1-xSrxCoO3-δ and (La1-ySry)2CoO4±δ/La1-xSrxCoO3-δ oxide thin films, and

  15. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions

    KAUST Repository

    Feng, Zhenxing

    2016-05-05

    Conspectus Electrocatalysts play an important role in catalyzing the kinetics for oxygen reduction and oxygen evolution reactions for many air-based energy storage and conversion devices, such as metal–air batteries and fuel cells. Although noble metals have been extensively used as electrocatalysts, their limited natural abundance and high costs have motivated the search for more cost-effective catalysts. Oxides are suitable candidates since they are relatively inexpensive and have shown reasonably high activity for various electrochemical reactions. However, a lack of fundamental understanding of the reaction mechanisms has been a major hurdle toward improving electrocatalytic activity. Detailed studies of the oxide surface atomic structure and chemistry (e.g., cation migration) can provide much needed insights for the design of highly efficient and stable oxide electrocatalysts. In this Account, we focus on recent advances in characterizing strontium (Sr) cation segregation and enrichment near the surface of Sr-substituted perovskite oxides under different operating conditions (e.g., high temperature, applied potential), as well as their influence on the surface oxygen exchange kinetics at elevated temperatures. We contrast Sr segregation, which is associated with Sr redistribution in the crystal lattice near the surface, with Sr enrichment, which involves Sr redistribution via the formation of secondary phases. The newly developed coherent Bragg rod analysis (COBRA) and energy-modulated differential COBRA are uniquely powerful ways of providing information about surface and interfacial cation segregation at the atomic scale for these thin film electrocatalysts. In situ ambient pressure X-ray photoelectron spectroscopy (APXPS) studies under electrochemical operating conditions give additional insights into cation migration. Direct COBRA and APXPS evidence for surface Sr segregation was found for La1–xSrxCoO3−δ and (La1–ySry)2CoO4±δ/La1–xSrxCoO3

  16. Atomic-Scale Observations of (010) LiFePO4 Surfaces Before and After Chemical Delithiation.

    Science.gov (United States)

    Kobayashi, Shunsuke; Fisher, Craig A J; Kato, Takeharu; Ukyo, Yoshio; Hirayama, Tsukasa; Ikuhara, Yuichi

    2016-09-14

    The ability to view directly the surface structures of battery materials with atomic resolution promises to dramatically improve our understanding of lithium (de)intercalation and related processes. Here we report the use of state-of-the-art scanning transmission electron microscopy techniques to probe the (010) surface of commercially important material LiFePO4 and compare the results with theoretical models. The surface structure is noticeably different depending on whether Li ions are present in the topmost surface layer or not. Li ions are also found to migrate back to surface regions from within the crystal relatively quickly after partial delithiation, demonstrating the facile nature of Li transport in the [010] direction. The results are consistent with phase transformation models involving metastable phase formation and relaxation, providing atomic-level insights into these fundamental processes.

  17. Electronic and spectroscopic properties of early 3d metal atoms on a graphite surface

    Science.gov (United States)

    Rakotomahevitra, A.; Garreau, G.; Demangeat, C.; Parlebas, J. C.

    1995-07-01

    High-sensitivity magneto-optic Kerr effect experiments failed to detect manifestations of magnetism in epitaxial films of V on Ag(100) substrates. More recently V 3s XPS of freshly evaporated V clusters on graphite exhibited the appearance of a satellite structure which has then been interpreted by the effect of surface magnetic moments on V. It is the absence of unambiguous results on the electronic properties of early 3d supported metals that prompts us to examine the problem. Our purpose is twofold. In a first part, after a total energy calculation within a tight-binding method which yields the equilibrium position of a given adatom, we use the Hartree-Fock approximation to find out a possible magnetic solution of V (or Cr) upon graphite for a reasonable value of the exchange integral Jdd. In a second part the informations given by the density of states of the graphite surface as well as the additional states of the adsorbed atom are taken into account through a generalised impurity Anderson Hamiltonian which incorporates the various Coulomb and exchange interactions necessary to analyse the 3s XPS results.

  18. Atomic Layer-Deposited TiO2 Coatings on NiTi Surface

    Science.gov (United States)

    Vokoun, D.; Racek, J.; Kadeřávek, L.; Kei, C. C.; Yu, Y. S.; Klimša, L.; Šittner, P.

    2018-02-01

    NiTi shape-memory alloys may release poisonous Ni ions at the alloys' surface. In an attempt to prepare a well-performing surface layer on an NiTi sample, the thermally grown TiO2 layer, which formed during the heat treatment of NiTi, was removed and replaced with a new TiO2 layer prepared using the atomic layer deposition (ALD) method. Using x-ray photoelectron spectroscopy, it was found that the ALD layer prepared at as low a temperature as 100 °C contained Ti in oxidation states + 4 and + 3. As for static corrosion properties of the ALD-coated NiTi samples, they further improved compared to those covered by thermally grown oxide. The corrosion rate of samples with thermally grown oxide was 1.05 × 10-5 mm/year, whereas the corrosion rate of the ALD-coated samples turned out to be about five times lower. However, cracking of the ALD coating occurred at about 1.5% strain during the superelastic mechanical loading in tension taking place via the propagation of a localized martensite band.

  19. Changes in surface morphology and microcrack initiation in polymers under simultaneous exposure to stress and fast atom bombardment

    International Nuclear Information System (INIS)

    Michael, R.S.; Frank, S.; Stulik, D.; Dickinson, J.T.

    1987-01-01

    The authors present studies of the changes in surface morphology due to simultaneous exposure of polymers to stress and fast atom bombardment. The polymers examined were Teflon, Kapton, Nylon, and Kevlar-49. The incident particles were 6 keV xenon atoms. The authors show that in the presence of mechanical stress these polymers show topographical changes at particle doses considerably lower than similar changes produced on unstressed material. Applied stress also promotes the formation of surface microcracks which could greatly reduce mechanical strength of the material

  20. Nanoscale fabrication and characterization of chemically modified silicon surfaces using conductive atomic force microscopy in liquids

    Science.gov (United States)

    Kinser, Christopher Reagan

    This dissertation examines the modification and characterization of hydrogen-terminated silicon surfaces in organic liquids. Conductive atomic force microscope (cAFM) lithography is used to fabricate structures with sub-100 nm line width on H:Si(111) in n-alkanes, 1-alkenes, and 1-alkanes. Nanopatterning is accomplished by applying a positive (n-alkanes and 1-alkenes) or a negative (1-alkanes) voltage pulse to the silicon substrate with the cAFM tip connected to ground. The chemical and kinetic behavior of the patterned features is characterized using AFM, lateral force microscopy, time-of-flight secondary ion mass spectroscopy (TOF SIMS), and chemical etching. Features patterned in hexadecane, 1-octadecene, and undecylenic acid methyl ester exhibited chemical and kinetic behavior consistent with AFM field induced oxidation. The oxide features are formed due to capillary condensation of a water meniscus at the AFM tip-sample junction. A space-charge limited growth model is proposed to explain the observed growth kinetics. Surface modifications produced in the presence of neat 1-dodecyne and 1-octadecyne exhibited a reduced lateral force compared to the background H:Si(111) substrate and were resistant to a hydrofluoric acid etch, characteristics which indicate that the patterned features are not due to field induced oxidation and which are consistent with the presence of the methyl-terminated 1-alkyne bound directly to the silicon surface through silicon-carbon bonds. In addition to the cAFM patterned surfaces, full monolayers of undecylenic acid methyl ester (SAM-1) and undec-10-enoic acid 2-bromoethyl ester (SAM-2) were grown on H:Si(111) substrates using ultraviolet light. The structure and chemistry of the monolayers were characterized using AFM, TOF SIMS, X-ray photoelectron spectroscopy (XPS), X-ray reflectivity (XRR), X-ray standing waves (XSW), and X-ray fluorescence (XRF). These combined analyses provide evidence that SAM-1 and SAM-2 form dense monolayers