WorldWideScience

Sample records for range atomic ordering

  1. Magnetism and atomic short-range order in Ni-Rh alloys

    Science.gov (United States)

    Carnegie, D. W., Jr.; Claus, H.

    1984-07-01

    Low-field ac susceptibility measurements of Ni-Rh samples of various concentrations are presented. Giant effects of the metallurgical state on the magnetic ordering temperature are associated with changes in the degree of atomic short-range order. By careful control of this degree of short-range order, it is possible to demonstrate the existence of a spin-glass state in Ni-Rh alloys.

  2. Temperature-modulated annealing of c-plane sapphire for long-range-ordered atomic steps

    International Nuclear Information System (INIS)

    Yatsui, Takashi; Kuribara, Kazunori; Sekitani, Tsuyoshi; Someya, Takao; Yoshimoto, Mamoru

    2016-01-01

    High-quality single-crystalline sapphire is used to prepare various semiconductors because of its thermal stability. Here, we applied the tempering technique, which is well known in the production of chocolate, to prepare a sapphire substrate. Surprisingly, we successfully realised millimetre-range ordering of the atomic step of the sapphire substrate. We also obtained a sapphire atomic step with nanometre-scale uniformity in the terrace width and atomic-step height. Such sapphire substrates will find applications in the preparation of various semiconductors and devices. (paper)

  3. Monte Carlo simulation of atomic short range order and cluster formation in two dimensional model alloys

    International Nuclear Information System (INIS)

    Rojas T, J.; Instituto Peruano de Energia Nuclear, Lima; Manrique C, E.; Torres T, E.

    2002-01-01

    Using monte Carlo simulation have been carried out an atomistic description of the structure and ordering processes in the system Cu-Au in a two-dimensional model. The ABV model of the alloy is a system of N atoms A and B, located in rigid lattice with some vacant sites. In the model we assume pair wise interactions between nearest neighbors with constant ordering energy J = 0,03 eV. The dynamics was introduced by means of a vacancy that exchanges of place with any atom of its neighbors. The simulations were carried out in a square lattice with 1024 and 4096 particles, using periodic boundary conditions to avoid border effects. We calculate the first two parameters of short range order of Warren-Cowley as function of the concentration and temperature. It was also studied the probabilities of formation of different atomic clusters that consist of 9 atoms as function of the concentration of the alloy and temperatures in a wide range of values. In some regions of temperature and concentration it was observed compositional and thermal polymorphism

  4. Structure of the short-range atomic order of WO3 amorphous films

    International Nuclear Information System (INIS)

    Olevskij, S.S.; Sergeev, M.S.; Tolstikhina, A.L.; Avilov, A.S.; Shkornyakov, S.M.; Semiletov, S.A.

    1984-01-01

    To study the causes of electrochromism manifestation in thin tungsten oxide films, the structure of WO 3 amorphous films has been investigated. The films were obtained by three different methods: by W(CO) 6 tungsten carbonyl pyrolysis, by high-frequency ion-plasma sputtering of a target prepared by WO 3 powder sintering, and by WO 3 powder thermal evaporation. Monocrystalline wafers of silicon and sodium chloride were used as substrates. The structure of short-range order in WO 3 amorphous films varies versus, the method of preparation in compliance with the type of polyhedral elements, (WO 6 , WO 5 ) and with the character of their packing (contacts via edges or vertices). Manifestation of electroc ro mism in WO 3 films prepared by varions methods and having different structure of short-range order is supposed to be realized through various mechanisms. One cannot exclude a potential simultaneous effect of the two coloration mechanisms

  5. Atomic size effects on local coordination and medium range order in molten trivalent metal chlorides

    International Nuclear Information System (INIS)

    Tatlipinar, H.; Akdeniz, Z.; Pastore, G.

    1992-08-01

    Structural correlations in molten trivalent metal chlorides are evaluated as functions of the metal ion size R M across the range from LaCl 3 (R M approx. 1.4 A) to AlCl 3 (R M approx. 0.8 A), using a charged soft-sphere model and the hypernetted chain approximation. Main attention is given to trends in the local liquid structure (partial radial distribution functions, coordination numbers and bond lengths) and in the intermediate range order (first sharp diffraction peak in the number-number and partial structure factors). The trend towards fourfold local coordination of the metal ions, the stabilization of their first-neighbour chlorine cage and the growth of medium range order are found to proceed in parallel as the size of the metal ion is allowed to decrease at constant number density and temperature. A tendency to molecular-type local structure and liquid-vapour phase separation is found within the hypernetted chain scheme at small metal ion sizes corresponding to AlCl 3 and is emphasized by decreasing the number density of the fluid. The predicted molecular units are rather strongly distorted Al 2 Cl 6 dimers, in agreement with observation. The calculated structural trends for other trichlorides are compared with diffraction and transport data. (author). 17 refs, 8 figs, 1 tab

  6. Nanometer-range atomic order directly recovered from resonant diffuse scattering

    Czech Academy of Sciences Publication Activity Database

    Kopecký, Miloš; Kub, Jiří; Fábry, Jan; Hlinka, Jiří

    2016-01-01

    Roč. 93, č. 5 (2016), 1-8, č. článku 054202. ISSN 1098-0121 R&D Projects: GA ČR GA15-04121S Institutional support: RVO:68378271 Keywords : diffuse scattering * resonant scattering * atomic structure * perovskites * relaxors * PbMg 1/3 Nb 2/3 O 3 (PMN) Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  7. Short- and medium-range order of atomic structure and electronic properties of arsenic salinide and sulphide amorphous films

    International Nuclear Information System (INIS)

    Sarsembinov, Sh.Sh.; Prikhodko, O.Yu.; Ryaguzov, A.P.; Maksimova, S.Ya.; Ushanov, V.Zh.

    2004-01-01

    Full text: The relationship between short- and medium-range order of atomic structure and electronic properties is the object of invariable attention of disordered matter physics. This problem is the most important for non-crystalline semiconductors, and specifically for chalcogenide glassy semiconductors (ChGS) films due to low co-ordination of atoms, which leads to lability of their structure. In this report we present results of atomic structure, electric, optical properties and carrier drift investigation in amorphous films of As 2 Se 3 and As 2 S 3 prepared by thermal evaporation in a vacuum (TE films) and by RF ion-plasma sputtering (RF films). These techniques strongly differing in the conditions of substance vaporization and condensation atoms on a substrate. The short- and medium-range order of the films atomic structure has been studied by X-ray diffraction analysis using the CuKα radiation (λ=1.5418 Angstrom) and by Raman spectroscopy. Raman spectra were measured at room temperature on Perkin-Elmer Spectrum GX Raman FT-IR Spectrometer (180 deg. backscattering). Vibrational modes were excited vertically polarized light of DPY Nd:YAG laser (1.064 μm). The radii of the first and second coordination spheres, number of the nearest neighbours of As and Se (S) atoms in the first coordination sphere, dimension of the medium-range order domain and 'quasi-period' in that region have been determined for the studied samples. The identification of the structural units in matrix of the film has been carried out, too. It is established that the films prepared by different methods have differences in the parameters of short- and medium range orders. It follows from the comparative analysis of Raman spectra that spectrum of RF films is significantly more complex than that of glass and TE films. The matrix of RF films contains, along with the structural units AsSe 3/2 (AsS 3/2 ) inherent in TE films and glass, other structural units with As and Se (S) excess. It may be

  8. Short-to-Medium-Range Order and Atomic Packing in Zr48Cu36Ag8Al8 Bulk Metallic Glass

    Directory of Open Access Journals (Sweden)

    Yong Xu

    2016-10-01

    Full Text Available Due to its excellent glass-forming ability (GFA, the Zr48Cu36Al8Ag8 bulk metallic glass (BMG is of great importance in glass transition investigations and new materials development. However, due to the lack of detailed structural information, the local structure and atomic packing of this alloy is still unknown. In this work, synchrotron measurement and reverse Monte Carlo simulation are performed on the atomic configuration of a Zr-based bulk metallic glass. The local structure is characterized in terms of bond pairs and Voronoi tessellation. It is found that there are mainly two types of bond pairs in the configuration, as the body-centered cubic (bcc-type and icosahedral (ico-type bond pairs. On the other hand, the main polyhedra in the configuration are icosahedra and the bcc structure. That is, the bcc-type bond pairs, together with the ico-type bond pairs, form the bcc polyhedra, introducing the distortion in bcc clusters in short range. However, in the medium range, the atoms formed linear or planar structures, other than the tridimensional clusters. That is, the medium-range order in glass is of 1D or 2D structure, suggesting the imperfect ordered packing feature.

  9. Dependency Ordering of Atomic Observables

    Science.gov (United States)

    Cīrulis, Jānis

    2015-12-01

    The notion of atomic observable was introduced by S.Gudder for effect test spaces in 1997. In this paper an observable is a σ-homomorphism from the Borel algebra on a line to some logic. Roughly, an observable on a logic is atomic, if it is completely determined by its restriction to one-element subsets of its point spectrum. In particular, every discrete observable is atomic. We study some elementary properties of such observables, and discuss a possible notion of functional dependency between them. Algebraically, a dependency is a certain preorder relation on the set of all atomic observables, which induces an order relation on the set of all maximal orthogonal subsets of the logic. Several properties, as well as characteristics in terms of the underlying logic, of these relations are stated.

  10. Long-Range Atomic Order and Entropy Change at the Martensitic Transformation in a Ni-Mn-In-Co Metamagnetic Shape Memory Alloy

    Directory of Open Access Journals (Sweden)

    Vicente Sánchez-Alarcos

    2014-05-01

    Full Text Available The influence of the atomic order on the martensitic transformation entropy change has been studied in a Ni-Mn-In-Co metamagnetic shape memory alloy through the evolution of the transformation temperatures under high-temperature quenching and post-quench annealing thermal treatments. It is confirmed that the entropy change evolves as a consequence of the variations on the degree of L21 atomic order brought by thermal treatments, though, contrary to what occurs in ternary Ni-Mn-In, post-quench aging appears to be the most effective way to modify the transformation entropy in Ni-Mn-In-Co. It is also shown that any entropy change value between around 40 and 5 J/kgK can be achieved in a controllable way for a single alloy under the appropriate aging treatment, thus bringing out the possibility of properly tune the magnetocaloric effect.

  11. Chemical and topological short-range order in metallic glasses

    International Nuclear Information System (INIS)

    Vincze, I.; Schaafsma, A.S.; Van der Woude, F.; Kemeny, T.; Lovas, A.

    1980-10-01

    Moessbauer spectroscopy is applied to the study of chemical short-range order in (Fe,Ni)B metallic glasses. It is found that the atomic arrangement in melt-quenched glasses closely resembles that of the crystalline counterparts (Fe 3 B is tetragonal, Ni 3 B is orthorombic). The distribution of transition metal atoms is not random at high Ni concentrations: Ni atoms prefer a neighbourhood with a higher boron coordination. (P.L.)

  12. Magnetic short range order in Gd

    International Nuclear Information System (INIS)

    Child, H.R.

    1976-01-01

    Quasielastic neutron scattering has been used to investigate magnetic short range order in Gd for 80 0 K 0 K. Short range order exists throughout this range from well below T/sub C/ = 291 0 K to well above it and can be reasonably well described by an anisotropic Orstein-Zernike form for chi

  13. Short range order in FeCo-X alloys

    International Nuclear Information System (INIS)

    Fultz, B.

    1988-01-01

    Moessbauer spectrometry was used to study the kinetics of chemical ordering in FeCo and in FeCo alloyed with ternary solutes. With respect to the binary FeCo alloy, the kinetics of B2 ordering were slowed when 2% of 4d- or 5d-series ternary solute atoms were present, but 3p- and 3d-series ternary solutes had little effect on ordering kinetics. The relaxation of order around the ternary solute atoms could be discerned in Moessbauer spectra, and it seems that the development of B2 short range order is influenced by structural relaxations around the ternary solute atoms. Different thermal treatments were shown to cause different relaxations of and correlations, suggesting that Moessbauer spectrometry can be used to identify different kinetic paths of ordering in ternary alloys. (orig.)

  14. Effect of high-temperature quenching on the magnetostructural transformations and the long-range atomic order of Ni–Mn–Sn and Ni–Mn–Sb metamagnetic shape memory alloys

    International Nuclear Information System (INIS)

    Sánchez-Alarcos, V.; Pérez-Landazábal, J.I.; Recarte, V.; Lucia, I.; Vélez, J.; Rodríguez-Velamazán, J.A.

    2013-01-01

    The influence of high-temperature thermal treatments on the martensitic transformation and the magnetic properties of Ni–Mn–Sn and Ni–Mn–Sb metamagnetic shape memory alloys have been investigated by calorimetric and magnetic measurements. Contrary to Ni–Mn–Ga and Ni–Mn–In systems, the martensitic transformation and Curie temperatures of Ni–Mn–Sn and Ni–Mn–Sb alloys are found to be unaffected by the increasing quenching temperature. Neutron diffraction measurements confirm the null effect of quenching on the next-nearest-neighbors atomic order due to the negligible L2 1 atomic disorder achieved with high-temperature annealings. The analysis of long-range order also suggests that no L2 1 –B2 ordering transition takes place in the studied alloys, thus indicating an unusually high stability of the L2 1 structure. The obtained results show that the magnetostructural properties of Ni–Mn–Sn and Ni–Mn–Sb alloys cannot be properly tuned by means of standard thermal treatments

  15. Universal medium-range order of amorphous metal oxides.

    Science.gov (United States)

    Nishio, Kengo; Miyazaki, Takehide; Nakamura, Hisao

    2013-10-11

    We propose that the structure of amorphous metal oxides can be regarded as a dual-dense-random-packing structure, which is a superposition of the dense random packing of metal atoms and that of oxygen atoms. Our ab initio molecular dynamics simulations show that the medium-range order of amorphous HfO2, ZrO2, TiO2, In2O3, Ga2O3, Al2O3, and Cu2O is characterized by the pentagonal-bipyramid arrangement of metal atoms and that of oxygen atoms, and prove the validity of our dual-random-sphere-packing model. In other words, we find that the pentagonal medium-range order is universal independent of type of metal oxide.

  16. Magnetic short-range order in Gd

    International Nuclear Information System (INIS)

    Child, H.R.

    1978-01-01

    The magnetic short-range order in a ferromagnetic, isotopically enriched 160 Gd metal single crystal has been investigated by quasielastic scattering of 81-meV neutrons. Since Gd behaves as an S-state ion in the metal, little anisotropy is expected in its magnetic behavior. However, the data show that there is anisotropic short-range order present over a large temperature interval both above and below T/sub C/. The data have been analyzed in terms of an Ornstein-Zernike Lorentzian form with anisotropic correlation ranges. These correlation ranges as deduced from the observed data behave normally above T/sub C/ but seem to remain constant over a fairly large interval below T/sub C/ before becoming unobservable at lower temperatures. These observations suggest that the magnetic ordering in Gd may be a more complicated phenomenon than first believed

  17. Rapidly solidified long-range-ordered alloys

    International Nuclear Information System (INIS)

    Lee, E.H.; Koch, C.C.; Liu, C.T.

    1981-01-01

    The influence of rapid solidification processing on the microstructure of long-range-ordered alloys in the (Fe, Co, Ni) 3 V system has been studied by transmission electron microscopy. The main microstructural feature of the as-quenched alloys was a fine cell structure (approx. 300 nm diameter) decorated with carbide particles. This structure was maintained aftr annealing treatments which develop the ordered crystal structure. Other features of the microstructures both before and after annealing are presented and discussed. 6 figures

  18. Elaboration and evolution in temperature of the amorphous alloy Tb65Cu35, study of short and medium range atomic order and low temperature magnetic order related to the elaboration process

    International Nuclear Information System (INIS)

    El Gadi, M.

    1986-12-01

    The thesis presents the study of the amorphous metallic alloy Tb 65 Cu 35 prepared by rapid quenching and sputtering. Differential scanning calorimetry (DSC) measurements establish the annealing procedure needed to obtain a stable amorphous state through structural relaxation. Nearest neighbour distances as determined by neutron diffraction measurements shows a high coordination for Tb atom and a relatively low one for Cu atom. In addition, small-angle neutron scattering (SANS) experiments carried out as a function of temperature show the existence of Tb bubbles with very high magnetization at low-temperature. The region between the bubbles shows composition fluctuations. The SANS measurements also indicate the coexistence of phases with compositions bordering the eutectic value and in the form of domains having sizes of a few thousand Angstroms. An unexpected result in the observation of an hundred fold increase in the intensity of low-angle magnetic scattering when the samples are hand-polished with simple sand paper. This clearly indicates the importance of sample surface state. Finally, this work establishes that samples prepared by two different techniques show identical properties [fr

  19. Intermediate-range order in lead metasilicate glass

    Energy Technology Data Exchange (ETDEWEB)

    Suzuya, Kentaro [Japan Atomic Energy Research Inst., Ako, Hyogo (Japan)]|[Argonne National Lab., IL (United States). Materials Science Div.; Price, D.L.; Saboungi, M.L. [Argonne National Lab., IL (United States). Materials Science Div.; Ohno, Hideo [Japan Atomic Energy Research Inst., Ako, Hyogo (Japan)

    1997-03-01

    The complementarity of anomalous X-ray scattering (AXS) and neutron diffraction (ND) techniques is used here to investigate the nature and origin of intermediate-range order in lead metasilicate glass. Both X-ray and neutron source factors reveal small peaks at low wave vector which are shown to be associated with intermediate-range order of the Pb-O network. The combination of AXS and ND is shown to be a powerful tool to correlate contributions from the different atom pairs to such a peak. The information thus derived is compared with results from alkali germanate glasses and with structural data on corresponding crystalline compounds.

  20. Long-range order in canary song.

    Science.gov (United States)

    Markowitz, Jeffrey E; Ivie, Elizabeth; Kligler, Laura; Gardner, Timothy J

    2013-01-01

    Bird songs range in form from the simple notes of a Chipping Sparrow to the rich performance of the nightingale. Non-adjacent correlations can be found in the syntax of some birdsongs, indicating that the choice of what to sing next is determined not only by the current syllable, but also by previous syllables sung. Here we examine the song of the domesticated canary, a complex singer whose song consists of syllables, grouped into phrases that are arranged in flexible sequences. Phrases are defined by a fundamental time-scale that is independent of the underlying syllable duration. We show that the ordering of phrases is governed by long-range rules: the choice of what phrase to sing next in a given context depends on the history of the song, and for some syllables, highly specific rules produce correlations in song over timescales of up to ten seconds. The neural basis of these long-range correlations may provide insight into how complex behaviors are assembled from more elementary, stereotyped modules.

  1. Short range order in liquid pnictides

    International Nuclear Information System (INIS)

    Mayo, M; Makov, G; Yahel, E; Greenberg, Y

    2013-01-01

    Liquid pnictides have anomalous physical properties and complex radial distribution functions. The quasi-crystalline model of liquid structure is applied to interpret the three-dimensional structure of liquid pnictides. It is shown that all the column V elements can be characterized by a short range order lattice symmetry similar to that of the underlying solid, the A7 structure, which originates from a Peierls distorted simple cubic lattice. The evolution of the liquid structure down the column as well as its temperature and pressure dependence is interpreted by means of the effect of thermodynamic parameters on the Peierls distortion. Surprisingly, it is found that the Peierls effect increases with temperature and the nearest neighbour distances exhibit negative thermal expansion. (paper)

  2. Short range order of selenite glasses

    Czech Academy of Sciences Publication Activity Database

    Neov, Dimitar; Gerasimova, I.; Yordanov, S.; Lakov, L.; Mikula, Pavol; Lukáš, Petr; Dimitriev, Y.

    1999-01-01

    Roč. 40, č. 2 (1999), s. 111-112 ISSN 0031-9090 R&D Projects: GA ČR GV202/97/K038; GA AV ČR KSK1048601 Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.822, year: 1999

  3. Investigation of interstitial atom ordering in energetically nonequivalent positions

    CERN Document Server

    Tashmetov, M Y; Mukhtarova, N N

    2002-01-01

    By X-ray and neutron diffraction methods the ordered structures of carbon atoms in complex carbide Ti sub 1 sub - sub x V sub x C sub 0 sub . sub 6 have been investigated. The one-phase samples have been prepared with cubic structure such as NaCl (space group Fm3m) by solid-phase vacuum sintering at 2070 K. The cubic ordered structure (sp.gr. Fd3d) with double parameter of the elementary cell in comparison with the initial one was formed after annealing the samples at 873 K (80 hours). The long-range order parameter (eta) is less than maximal in the investigated samples. It is established that at 980-1000 K the cubic ordered structure (sp.gr. Fd3m) transforms to the trigonal ordered structure (sp.gr. R3m; sp.gr. P3 sub 1 21). (author)

  4. Long-range terms in atomic collisions

    International Nuclear Information System (INIS)

    McGuire, J.H.; Weaver, O.L.

    1986-01-01

    Various separations, or ''gauge choices,'' are possible for the decomposition of the total Hamiltonian into electronic and internuclear terms. We show that, for one particular choice, all long-range Coulomb terms are associated with the internuclear motion. The potential then associated with electronic transitions is non-Coulombic. Some practical consequences of this gauge choice are discussed

  5. Influence of short range ordering and clustering on transport properties

    International Nuclear Information System (INIS)

    Vigier, G.; Pelletier, J.M.

    1982-01-01

    The influence of short range ordering and clustering phenomena on the electrical resistivity p and the thermopower S is investigated both theoretically and experimentally. According to the considered alloys either increases or decreases of transport properties may be observed when deviations from a random distribution of solute atoms occur. These observations are explained with a model based on free electrons and Born approximations the importance of the potential choice is underlined; two kinds of description of the structure factor are investigated. A good semiquantitative agreement is obtained between computed results and experimental observations

  6. Long-range interactions among three alkali-metal atoms

    International Nuclear Information System (INIS)

    Marinescu, M.; Starace, A.F.

    1996-01-01

    The long-range asymptotic form of the interaction potential surface for three neutral alkali-metal atoms in their ground states may be expressed as an expansion in inverse powers of inter-nuclear distances. The first leading powers are proportional to the dispersion coefficients for pairwise atomic interactions. They are followed by a term responsible for a three body dipole interaction. The authors results consist in evaluation of the three body dipole interaction coefficient between three alkali-metal atoms. The generalization to long-range n atom interaction terms will be discussed qualitatively

  7. First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction

    International Nuclear Information System (INIS)

    Zhao Xiu-Qin; Liu Ni; Liang Jiu-Qing

    2017-01-01

    In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. (paper)

  8. Short range order of selenite glasses

    Czech Academy of Sciences Publication Activity Database

    Neov, S.; Gerasimova, I.; Yordanov, S.; Lakov, L.; Mikula, Pavol; Lukáš, Petr

    1999-01-01

    Roč. 40, č. 2 (1999), s. 111-112 ISSN 0031-9090 R&D Projects: GA AV ČR KSK1010104 Keywords : short range * selenite glasses Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.822, year: 1999

  9. Atomic ordering in GaAsP

    Science.gov (United States)

    Chen, G. S.; Jaw, D. H.; Stringfellow, G. B.

    1991-04-01

    CuPt type ordering, which consists of a monolayer compositional modulation along one of the 4 directions in the lattice, was studied using transmission electron microscopy for GaAs1-xPx with values of x extending from 0.25 to 0.85. The samples were grown by organometallic vapor phase epitaxy on nominal (001) GaAs substrates that were misoriented by varying amounts in three directions. No CuPt type ordering was observed for GaAs1-xPx with x ≤0.35, while ordering was found to occur for 0.4≤x≤0.85. The direction of substrate misorientation has a major effect on the determination of which of the four possible CuPt variants are formed for 0.4≤x≤0.85. Two variants, with ordering on the (1¯11) and (11¯1) planes, appear for epilayers grown on substrates oriented exactly on the (001) plane and for substrates misoriented by 6° towards the [110] direction. Only one variant, with ordering on the (1¯11) plane, appears for epilayers grown on substrates misoriented by 6° towards [1¯10]. These ordering-induced spots observed in transmission electron diffraction (TED) patterns for GaAsP occur only for the [110] cross section. From TED studies of GaInP grown on similar substrates, we conclude that the CuPt variants in GaAsP are exactly the same as for GaInP. Further evidence supporting this conclusion was obtained by growing first a layer of GaInP followed by a layer of GaAsP. High-resolution dark field electron micrographs show domains of the same variants in both layers. A mechanism describing the formation of the specific ordered variant for both GaAsP and GaInP is proposed. From studies of ordering in a strain-layer superlattice, the strain due to lattice mismatch was found to play no significant role in the propagation of ordered domains. Microtwins, also generated due to lattice mismatch, can act as domain boundaries and prevent the propagation of the ordered domains.

  10. Order out of chaos in atomic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Rotter, I

    1988-07-01

    The transition from the resonance reaction mechanism at low level density to the direct reaction mechanism at high level density is investigated by means of numerical results obtained from microscopic calculations for nucleon-induced reactions. The transition takes place rather sharply at GAMMA approx. = D-bar. Here, two types of motion of the nucleons exist simultaneously: a motion in long-living states which are near equilibrium and a motion in short-living states which are far from equilibrium. A formation of order out of chaos takes place only in the open quantum mechanical nuclear system. It is caused by quantum fluctuations via the continuum.

  11. Investigation of odd-order nonlinear susceptibilities in atomic vapors

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Yaqi [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Shaanxi Key Laboratory of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China); Teaching and Research Section of Maths and Physics, Guangzhou Commanding Academy of Chinese People’s Armed Police Force, Guangzhou, 510440 (China); Wu, Zhenkun; Si, Jinhai; Yan, Lihe; Zhang, Yiqi; Yuan, Chenzhi; Sun, Jia [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Shaanxi Key Laboratory of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China); Zhang, Yanpeng, E-mail: ypzhang@mail.xjtu.edu.cn [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Shaanxi Key Laboratory of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China)

    2013-06-15

    We theoretically deduce the macroscopic symmetry constraints for arbitrary odd-order nonlinear susceptibilities in homogeneous media including atomic vapors for the first time. After theoretically calculating the expressions using a semiclassical method, we demonstrate that the expressions for third- and fifth-order nonlinear susceptibilities for undressed and dressed four- and six-wave mixing (FWM and SWM) in atomic vapors satisfy the macroscopic symmetry constraints. We experimentally demonstrate consistence between the macroscopic symmetry constraints and the semiclassical expressions for atomic vapors by observing polarization control of FWM and SWM processes. The experimental results are in reasonable agreement with our theoretical calculations. -- Highlights: •The macroscopic symmetry constraints are deduced for homogeneous media including atomic vapors. •We demonstrate that odd-order nonlinear susceptibilities satisfy the constraints. •We experimentally demonstrate the deduction in part.

  12. Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)

    Science.gov (United States)

    Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.

    2003-01-01

    Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.

  13. Magnetic short range order and the exchange coupling in magnets

    International Nuclear Information System (INIS)

    Antropov, V.P.

    2006-01-01

    We discuss our recent results of time-dependent density functional simulations of magnetic properties of Fe and Ni at finite temperatures. These results indicated that a strong magnetic short range order is responsible for the magnetic properties of elementary Ni and any itinerant magnet in general. We demonstrated that one can use the value of the magnetic short range order parameter to produce new quantitative classification of magnets. We also discuss the nature of the exchange coupling and its connection with the short range order. The spin-wave like propagating and diffusive excitations in paramagnetic localized systems with small short range order have been predicted while in the itinerant systems the short range order is more complicated. The possible smallness of the quantum factor in the itinerant magnets with short range order is discussed

  14. Directional and short-range ordering kinetics in metallic alloys, crystalline and amorphous

    International Nuclear Information System (INIS)

    Hillairet, J.

    1985-01-01

    This presentation describes the methods (resistometric and anelastic) based on analysis of stress-induced directional ordering and short-range ordering and their application to the study of metallic alloys, crystalline and amorphous. It focuses on the determination of the atomic mobility and point defect properties. It discusses also the structural information which can be gained by Zener relaxation studies about the order-disorder transition and self-induced directional ordering phenomena

  15. Ductile long range ordered alloys with high critical ordering temperature and wrought articles fabricated therefrom

    Science.gov (United States)

    Liu, Chain T.; Inouye, Henry

    1979-01-01

    Malleable long range ordered alloys having high critical ordering temperatures exist in the V(Fe, Co).sub.3 and V(Fe, Co, Ni).sub.3 systems. These alloys have the following compositions comprising by weight: 22-23% V, 14-30% Fe, and the remainder Co or Co and Ni with an electron density no more than 7.85. The maximum combination of high temperature strength, ductility and creep resistance are manifested in the alloy comprising by weight 22-23% V, 14-20% Fe and the remainder Co and having an atomic composition of V(Fe .sub.0.20-0.26 C Co.sub.0.74-0.80).sub.3. The alloy comprising by weight 22-23% V, 16-17% Fe and 60-62% Co has excellent high temperature properties. The alloys are fabricable into wrought articles by casting, deforming, and annealing for sufficient time to provide ordered structure.

  16. Short-range order in amorphous thin films of indium selenides

    International Nuclear Information System (INIS)

    Zakharov, V.P.; Poltavtsev, Yu.G.; Sheremet, G.P.

    1982-01-01

    A structure of the short-range order and a character of interatomic interactions in indium selenides Insub(1-x)Sesub(x) with 0.333 <= x <= 0.75, obtained in the form of amorphous films 0.05-0.80 μm thick are studied using electron diffraction method. It is found out that mostly tetrahedrical coordination of nearest neighbours in the vicinity of indium atoms is characteristic for studied amorphous films, and coordination of selenium atoms is different. Amorphous film with x=0.75 posesses a considereably microheterogeneous structure of the short-range order, which is characterized by the presence of microunclusions of amorphous selenium and atoms of indium, octohedrically coordinated by selenium atoms

  17. Medium-range dielectric order in systems with collectivized electrons

    International Nuclear Information System (INIS)

    Ismagilov, A.M.; Kopaev, Yu.V.

    1993-01-01

    The problem of formation of a medium-range dielectric order (on a scale much larger than the interatomic one) due to electron-electron correlations and to scattering by an impurity in a system near a phase transition into a long-range order state is solved by a microscopic approach. It is shown that for a weak impurity potential the effect of medium-range order formation is stronger than the effect of long-range order suppression related to scattering by an impurity. The influence of medium-range order on the one-particle excitation spectrum and on the density of states is considered. It is found that since the medium-range order in a system is due to correlations of electron and hole states open-quotes coupledclose quotes by a continuous set of inhomogeneity vectors (in contrast to the long-range order formed on a discrete set of such vectors), the density of states varies on an energy scale determined by the mean absolute value of these vectors. Therefore in a system undergoing phase transition into an inhomogeneous state with the modulus q 0 of inhomogeneity vectors the medium-range order forms in the density of states a pseudogap of scale length v F q 0 (v F is the Fermi velocity). This distinguishes such a system substantially from one, which tends to a phase transition into a homogeneous state (q 0 ≡0), where the medium-range order forms a pseudogap of scale length v F /ξ much-lt v F q 0 (ξ is the correlation length). The possible role of medium dielectric order effects in high-T c superconductors is discussed. 30 refs., 6 figs

  18. Long-range interactions of excited He atoms with ground-state noble-gas atoms

    KAUST Repository

    Zhang, J.-Y.; Qian, Ying; Schwingenschlö gl, Udo; Yan, Z.-C.

    2013-01-01

    The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition

  19. Covalent bond orders and atomic valences from correlated wavefunctions

    Science.gov (United States)

    Ángyán, János G.; Rosta, Edina; Surján, Péter R.

    1999-01-01

    A comparison is made between two alternative definitions for covalent bond orders: one derived from the exchange part of the two-particle density matrix and the other expressed as the correlation of fluctuations (covariance) of the number of electrons between the atomic centers. Although these definitions lead to identical formulae for mono-determinantal SCF wavefunctions, they predict different bond orders for correlated wavefunctions. It is shown that, in this case, the fluctuation-based definition leads to slightly lower values of the bond order than does the exchange-based definition, provided one uses an appropriate space-partitioning technique like that of Bader's topological theory of atoms in a molecule; however, use of Mulliken partitioning in this context leads to unphysical behaviour. The example of H 2 is discussed in detail.

  20. Measurements of short-range ordering in Ni3Al

    International Nuclear Information System (INIS)

    Okamoto, J.K.; Ahn, C.C.

    1992-01-01

    This paper reports on extended electron energy-loss fine structure (EXELFS) that has been used to measure short-range ordering in Ni 3 Al. Films of fcc Ni 3 Al with suppressed short-range order synthesized by vacuum evaporation of Ni 3 Al onto room temperature substrates. EXELFS data were taken from both Al K and Ni L 23 edges. The development of short-range order was observed after the samples were annealed for various times at temperatures below 350 degrees C. Upon comparison with ab initio planewave EXELFS calculations, it was found that the Warren-Cowley short-range order parameter a(1nn) changed by about -0.1 after 210 minutes of annealing at 150 degrees C

  1. Critical thickness of atomically ordered III-V alloys

    Energy Technology Data Exchange (ETDEWEB)

    France, R. M.; McMahon, W. E.; Guthrey, H. L. [National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, Colorado 80401 (United States)

    2015-10-12

    The critical thickness model is modified with a general boundary energy that describes the change in bulk energy as a dislocation regularly alters the atomic structure of an ordered material. The model is evaluated for dislocations gliding through CuPt-ordered GaInP and GaInAs, where the boundary energy is negative and the boundary is stable. With ordering present, the critical thickness is significantly lowered and remains finite as the mismatch strain approaches zero. The reduction in critical thickness is most significant when the order parameter is greatest and the amount of misfit energy is low. The modified model is experimentally validated for low-misfit GaInP epilayers with varying order parameters using in situ wafer curvature and ex situ cathodoluminescence. With strong ordering, relaxation begins at a lower thickness and occurs at a greater rate, which is consistent with a lower critical thickness and increased glide force. Thus, atomic ordering is an important consideration for the stability of lattice-mismatched devices.

  2. Short range correlations in the pion s-wave self-energy of pionic atoms

    OpenAIRE

    Salcedo, L. L.; Holinde, K.; Oset, E.; Schütz, C.

    1995-01-01

    We evaluate the contribution of second order terms to the pion-nucleus s-wave optical potential of pionic atoms generated by short range nuclear correlation. The corrections are sizeable because they involve the isoscalar s-wave $\\pi N$ amplitude for half off-shell situations where the amplitude is considerably larger than the on-shell one. In addition, the s-wave optical potential is reanalyzed by looking at all the different conventional contributions together lowest order, Pauli corrected ...

  3. Experimental First Order Pairing Phase Transition in Atomic Nuclei

    International Nuclear Information System (INIS)

    Moretto, L G; Larsen, A C; Giacoppo, F; Guttormsen, M; Siem, S

    2015-01-01

    The natural log of experimental nuclear level densities at low energy is linear with energy. This can be interpreted in terms of a nearly 1st order phase transition from a superfluid to an ideal gas of quasi particles. The transition temperature coincides with the BCS critical temperature and yields gap parameters in good agreement with the values extracted from even- odd mass differences from rotational states. This converging evidence supports the relevance of the BCS theory to atomic nuclei

  4. Stopping powers and ranges for the heaviest atoms

    International Nuclear Information System (INIS)

    Sagaidak, Roman N.; Utyonkov, Vladimir K.; Dmitriev, Sergey N.

    2015-01-01

    Slowing down and stopping of the heaviest atoms, products of the fusion–evaporation nuclear reactions, during their passage through the Dubna gas-filled recoil separator has been studied using TRIM simulations. The study is important for experiments on the synthesis of super-heavy elements (SHEs) with atomic numbers around Z_P = 114 produced with accelerated heavy ion (HI) beams and extracted with a separator for their detection. The average Mylar stopping power (SP) values obtained with the simulations for HIs with 82 ⩽ Z_P ⩽ 92 reveal almost the same magnitudes, allowing extrapolation to the region of Z_P > 92. Similar extrapolation of the ranges in an He + Ar gas mixture leads to rather small values for the heaviest atoms (Z_P ⩾ 102) as compared to the range for U. The extrapolated values have large uncertainties and should be verified with different approaches. Available SP data obtained for HIs with 18 ⩽ Z_P ⩽ 92 at energies E < 20 MeV/u have been analysed within various semi-empirical approaches. The analysis has shown that existing parameterizations give Mylar SP values for Z_P ⩾ 82 that are very different from each other at energies of interest (around 0.1 MeV/u). We propose to use a general approach based on the HI effective charge parameterization obtained with available SP data for HIs and the hydrogen SP and effective charge corresponding to the same velocity and stopping medium as those for HIs. In this manner, the SPs of the gases H_2, He, C_4H_1_0, and Ar as well as those of the solids Mylar, C, Al, and Ti have been obtained for any atoms with Z_P ⩾ 18 (including the heaviest ones) at their reduced velocities 0.03 ⩽ V_r_e_d ⩽ 5.0. The SP values derived in such a way seem to be more reliable compared to the existing semi-empirical calculations and can be used in the conditioning of experiments on the synthesis of SHEs.

  5. Description of the atomic disorder (local order) in crystals by the mixed-symmetry method

    Science.gov (United States)

    Dudka, A. P.; Novikova, N. E.

    2017-11-01

    An approach to the description of local atomic disorder (short-range order) in single crystals by the mixed-symmetry method based on Bragg scattering data is proposed, and the corresponding software is developed. In defect-containing crystals, each atom in the unit cell can be described by its own symmetry space group. The expression for the calculated structural factor includes summation over different sets of symmetry operations for different atoms. To facilitate the search for new symmetry elements, an "atomic disorder expert" was developed, which estimates the significance of tested models. It is shown that the symmetry lowering for some atoms correlates with the existence of phase transitions (in langasite family crystals) and the anisotropy of physical properties (in rare-earth dodecaborides RB12).

  6. Higher order corrections to energy levels of muonic atoms

    International Nuclear Information System (INIS)

    Rinker, G.A. Jr.; Steffen, R.M.

    1975-08-01

    In order to facilitate the analysis of muonic x-ray spectra, the results of numerical computations of all higher order quantum electrodynamical corrections to the energy levels of muonic atoms are presented in tabular and graphical form. These corrections include the vacuum polarization corrections caused by emission and reabsorption of virtual electron pairs to all orders, including ''double-bubble'' and ''cracked-egg'' diagrams. An estimate of the Delbruecke scattering-type correction is presented. The Lamb-shift (second- and fourth-order vertex) corrections have been calculated including the correction for the anomalous magnetic moment of the muon. The relativistic nuclear motion (or recoil) correction as well as the correction caused by the screening of the atomic electrons is presented in graphs. For the sake of completeness a graph of the nuclear polarization as computed on the basis of Chen's approach has been included. All calculations were made with a two-parameter Fermi distribution of the nuclear charge density. 7 figures, 23 references

  7. Amorphous photonic crystals with only short-range order.

    Science.gov (United States)

    Shi, Lei; Zhang, Yafeng; Dong, Biqin; Zhan, Tianrong; Liu, Xiaohan; Zi, Jian

    2013-10-04

    Distinct from conventional photonic crystals with both short- and long-range order, amorphous photonic crystals that possess only short-range order show interesting optical responses owing to their unique structural features. Amorphous photonic crystals exhibit unique light scattering and transport, which lead to a variety of interesting phenomena such as isotropic photonic bandgaps or pseudogaps, noniridescent structural colors, and light localization. Recent experimental and theoretical advances in the study of amorphous photonic crystals are summarized, focusing on their unique optical properties, artificial fabrication, bionspiration, and potential applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections

    Energy Technology Data Exchange (ETDEWEB)

    Chai, Jeng-Da; Head-Gordon, Martin

    2008-06-14

    We report re-optimization of a recently proposed long-range corrected (LC) hybrid density functionals [J.-D. Chai and M. Head-Gordon, J. Chem. Phys. 128, 084106 (2008)] to include empirical atom-atom dispersion corrections. The resulting functional, {omega}B97X-D yields satisfactory accuracy for thermochemistry, kinetics, and non-covalent interactions. Tests show that for non-covalent systems, {omega}B97X-D shows slight improvement over other empirical dispersion-corrected density functionals, while for covalent systems and kinetics, it performs noticeably better. Relative to our previous functionals, such as {omega}B97X, the new functional is significantly superior for non-bonded interactions, and very similar in performance for bonded interactions.

  9. Local atomic order of a metallic glass made visible by scanning tunneling microscopy

    Science.gov (United States)

    Luo, Yuansu; Samwer, Konrad

    2018-06-01

    Exploring the atomic level structure in amorphous materials by STM becomes extremely difficult due to the localized electronic states. Here we carried out STM studies on a quasi-low-dimensional film of metallic glass Zr65Cu27.5Al7.5 which is ‘ultrathin’ compared with the localization length and/or the length scale of short range order. The local electronic structure must appear more inherent, having states at E f available for tip-sample tunneling current. To enhance imaging contrasts between long-range and short-range orders, the highly oriented pyrolytic graphite was chosen as substrate, so that the structural heterogeneity arising from competition between the glass former ability and the epitaxy can be ascertained. A chemical order predicted for this system was observed in atomic ordered regimes (1–2 monolayers), accompanied with a superstructure with the period Zr–Cu(Al)–Zr along three hexagonal axes. The result implies a chemical short range order in disordered regimes, where polyhedral clusters are dominant with the solute atom Cu(Al) in the center. An attempt for the structural modelling was made based on high resolution STM images, giving icosahedral order on the surface and different Voronoi clusters in 3D space.

  10. Study of the effect of short ranged ordering on the magnetism in FeCr alloys

    Energy Technology Data Exchange (ETDEWEB)

    Jena, Ambika Prasad, E-mail: apjena@bose.res.in [Department of Condensed Matter and Materials Science, S N Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata 700098 (India); Sanyal, Biplab, E-mail: biplab.sanyal@physics.uu.se [Department of Physics and Astronomy, Uppsala University, Box 516, SE-75120 Uppsala (Sweden); Mookerjee, Abhijit, E-mail: abhijit.mookerjee61@gmail.com [Department of Condensed Matter and Materials Science, S N Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata 700098 (India)

    2014-01-15

    For the study of magnetism in systems where the local environment plays an important role, we propose a marriage between the Monte Carlo simulation and Zunger's special quasi-random structures. We apply this technique on disordered FeCr alloys and show that our estimates of the transition temperature is in good agreement with earlier experiments. - Highlights: • The magnetism in FeCr is sensitively depended on the ordering of the atoms : disordered or with short ranged ordering. • This work uses the SQS technique suggested by Zunger has been used to generate various degrees of short range ordering in FeCr. • The electronic structure and pair energies have been obatined from first principles ASR and Lichtenstein methods. • The effect of chemical ordering on magnetic ordering is studied in detail. • Only those situations where the chemical ordering is complete have been studied.

  11. Study of the effect of short ranged ordering on the magnetism in FeCr alloys

    International Nuclear Information System (INIS)

    Jena, Ambika Prasad; Sanyal, Biplab; Mookerjee, Abhijit

    2014-01-01

    For the study of magnetism in systems where the local environment plays an important role, we propose a marriage between the Monte Carlo simulation and Zunger's special quasi-random structures. We apply this technique on disordered FeCr alloys and show that our estimates of the transition temperature is in good agreement with earlier experiments. - Highlights: • The magnetism in FeCr is sensitively depended on the ordering of the atoms : disordered or with short ranged ordering. • This work uses the SQS technique suggested by Zunger has been used to generate various degrees of short range ordering in FeCr. • The electronic structure and pair energies have been obatined from first principles ASR and Lichtenstein methods. • The effect of chemical ordering on magnetic ordering is studied in detail. • Only those situations where the chemical ordering is complete have been studied

  12. Dynamic range of atomically thin vibrating nanomechanical resonators

    International Nuclear Information System (INIS)

    Wang, Zenghui; Feng, Philip X.-L.

    2014-01-01

    Atomically thin two-dimensional (2D) crystals offer attractive properties for making resonant nanoelectromechanical systems (NEMS) operating at high frequencies. While the fundamental limits of linear operation in such systems are important, currently there is very little quantitative knowledge of the linear dynamic range (DR) and onset of nonlinearity in these devices, which are different than in conventional 1D NEMS such as nanotubes and nanowires. Here, we present theoretical analysis and quantitative models that can be directly used to predict the DR of vibrating 2D circular drumhead NEMS resonators. We show that DR has a strong dependence ∝10log(E Y 3/2 ρ 3D -1/2 rtε 5/2 ) on device parameters, in which strain ε plays a particularly important role in these 2D systems, dominating over dimensions (radius r, thickness t). This study formulizes the effects from device physical parameters upon DR and sheds light on device design rules toward achieving high DR in 2D NEMS vibrating at radio and microwave frequencies

  13. Long range order and giant components of quantum random graphs

    CERN Document Server

    Ioffe, D

    2006-01-01

    Mean field quantum random graphs give a natural generalization of classical Erd\\H{o}s-R\\'{e}nyi percolation model on complete graph $G_N$ with $p =\\beta /N$. Quantum case incorporates an additional parameter $\\lambda\\geq 0$, and the short-long range order transition should be studied in the $(\\beta ,\\lambda)$-quarter plane. In this work we explicitly compute the corresponding critical curve $\\gamma_c$, and derive results on two-point functions and sizes of connected components in both short and long range order regions. In this way the classical case corresponds to the limiting point $(\\beta_c ,0) = (1,0)$ on $\\gamma_c$.

  14. Short, intermediate and long range order in amorphous ices

    Science.gov (United States)

    Martelli, Fausto; Torquato, Salvatore; Giovanbattista, Nicolas; Car, Roberto

    Water exhibits polyamorphism, i.e., it exists in more than one amorphous state. The most common forms of glassy water are the low-density amorphous (LDA) and the high-density amorphous (HDA) ices. LDA, the most abundant form of ice in the Universe, transforms into HDA upon isothermal compression. We model the transformation of LDA into HDA under isothermal compression with classical molecular dynamics simulations. We analyze the molecular structures with a recently introduced scalar order metric to measure short and intermediate range order. In addition, we rank the structures by their degree of hyperuniformity, i.e.,the extent to which long range density fluctuations are suppressed. F.M. and R.C. acknowledge support from the Department of Energy (DOE) under Grant No. DE-SC0008626.

  15. Unitarity corrections to short-range order long-range rapidity correlations

    CERN Document Server

    Capella, A

    1978-01-01

    Although the effective hadronic forces have short range in rapidity space, one nevertheless expects long-range dynamical correlations induced by unitarity constraints. This paper contains a thorough discussion of long-range rapidity correlations in high-multiplicity events. In particular, the authors analyze in detail the forward- backward multiplicity correlations, measured recently in the whole CERN ISR energy range. They find from these data that the normalized variance of the number n of exchanged cut Pomerons, ((n/(n)-1)/sup 2/) , is most probably in the range 0.32 to 0.36. They show that such a number is obtained from Reggeon theory in the eikonal approximation. The authors also predict a very specific violation of local compensation of charge in multiparticle events: The violation should appear in the fourth-order zone correlation function and is absent in the second-order correlation function, the only one measured until now. (48 refs).

  16. Long-range order in InAsSb

    Science.gov (United States)

    Jen, H. R.; Ma, K. Y.; Stringfellow, G. B.

    1989-03-01

    Results are presented of transmission electron diffraction (TED) observations, demonstrating, for the first time, a CuPt-type ordering in InAs(1-x)Sb(x) alloys, over a wide range of x values (from x = 0.22 to 0.88). The InAsSb alloys were prepared by OMVPE on (001) oriented undoped InSb or InAs substrates. The ordering-induced spots on the TED patterns show the highest intensity for x of about 0.5 and the lowest intensity toward each binary end compound. Only two of the four variants are formed during growth. In some areas, the degree of order for these two variants, 1/2(-1 1 1) and 1/2(1 -1 1), is equal, and in other areas, one variant dominates.

  17. Fluctuation microscopy: a probe of medium range order

    International Nuclear Information System (INIS)

    Treacy, M M J; Gibson, J M; Fan, L; Paterson, D J; McNulty, I

    2005-01-01

    Fluctuation microscopy is a hybrid diffraction-imaging technique that detects medium range order in amorphous materials by examining spatial fluctuations in coherent scattering. These fluctuations appear as speckle in images and diffraction patterns. The volume of material contributing to the speckle is determined by the point-spread function (the resolution) of the imaging optics and the sample thickness. The spatial periodicities being probed are related to the diffraction vector. Statistical analysis of the speckle allows the random and non-random (ordered) contributions to be discriminated. The image resolution that gives the maximum speckle contrast, as determined by the normalized variance of the image intensity, is determined by the characteristic length scale of the ordering. Because medium range ordering length scales can extend out to about the tenth coordination shell, fluctuation microscopy tends to be a low image resolution technique. This review presents the kinematical scattering theory underpinning fluctuation microscopy and a description of fluctuation electron microscopy as it has been employed in the transmission electron microscope for studying amorphous materials. Recent results using soft x-rays for studying nanoscale materials are also presented. We summarize outstanding issues and point to possible future directions for fluctuation microscopy as a technique

  18. Atomic rearrangements in ordered fcc alloys during neutron irradiation

    International Nuclear Information System (INIS)

    Kirk, M.A.; Blewitt, T.H.

    1978-01-01

    Three sets of experiments performed at Argonne National Laboratory over the past few years are described. These experiments deal with atomic rearrangements in the ordered alloys Ni 3 Mn and Cu 3 Au during fast and thermal neutron bombardment. The unique magnetic properties of ordered Ni 3 Mn are utilized to investigate radiation damage production mechanisms at low temperature (5 K) where defect migration is not possible and only disordering is observed. In the case of thermal neutron bombardment, the average recoil energy is about 450 eV and significant disordering due to [110] replacement collision sequences is observed. For fast neutron bombardment where typical recoil energies are 20 keV, significant random disordering is observed but no evidence for sizable replacement sequences is found. The bombardment of ordered Cu 3 Au by fast and thermal neutrons at higher temperature (approx. 150 0 C) is studied by electrical resistance techniques. Both ordering and disordering are observed and related to the number of migrating vacancies escaping from the high energy collision cascade

  19. Short-range order of amorphous FeNiB alloy after neutron irradiation

    International Nuclear Information System (INIS)

    Miglierini, M.; Sitek, J.; Baluch, S.; Cirak, J.; Lipka, J.

    1990-01-01

    Transmission Moessbauer spectroscopy was used to study irradiation-induced changes in the short-range order of an amorphous Fe 80-x Ni x B 20 alloy. Neutron irradiation led to an increase of the width of a hyperfine field distribution implying atomic rearrangement towards disordering. Changes in a mean value of a HFD and Moessbauer line areas can be associated with a reorientation of spins due to radiation damage. (orig.)

  20. Thermodynamics and Long-Range Order of Nitrogen in γ'-Fe4N1-x

    NARCIS (Netherlands)

    Kooi, Bart J.; Somers, Marcel A.J.; Mittemeijer, Eric J.

    1996-01-01

    Models are given for the description of the chemical potential of nitrogen in γ'-Fe4N1-x. In previous work, γ'-Fe4N1-x was treated as a (sub)regular solution, thereby assuming that the N atoms are distributed randomly on the sites of their own sublattice. However, in γ'-Fe4N1-x, long-range ordering

  1. Finite temperature CPN-1 model and long range Neel order

    International Nuclear Information System (INIS)

    Ichinose, Ikuo; Yamamoto, Hisashi.

    1989-09-01

    We study in d space-dimensions the finite temperature behavior of long range Neel order (LRNO) in CP N-1 model as a low energy effective field theory of the antiferromagnetic Heisenberg model. For d≤1, or d≤2 at any nonzero temperature, LRNO disappears, in agreement with Mermin-Wagner-Coleman's theorem. For d=3 in the weak coupling region, LRNO exists below the critical temperature T N (Neel temperature). T N decreases as the interlayer coupling becomes relatively weak compared with that within Cu-O layers. (author)

  2. Long-range interactions of excited He atoms with ground-state noble-gas atoms

    KAUST Repository

    Zhang, J.-Y.

    2013-10-09

    The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition operators. The large-n expansions for the sums over the He oscillator strength divided by the corresponding transition energy are presented for these series. Using the expansions, the C6 coefficients for the systems involving He(131,3S) and He(131,3P) are calculated and found to be in good agreement with directly calculated values.

  3. 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.

  4. 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

  5. Neutron diffraction study of ordering of atoms and antiphase domains in titanium carbohydrides

    International Nuclear Information System (INIS)

    Khidirov, I.; Mirzaev, B.B.; Sultanova, S.Kh.; Mukhtarova, N.N.; Getmanskiy, V.V.

    2004-01-01

    Full text: As a result of neutron diffraction study of titanium carbon hydrides of a number of compositions at the lower limit of the carbon homogeneity region (TiC 0.47 H 0.22 , TiC 0.47 H 0.19 , TiC 0.47 H 0.07 , TiC 0.50 H 0.21 ) after by heat treatment using special regime for preventing exit of hydrogen out of the lattice, five temperature ranges of temperature of structural changes are found out. 1. T ≥ 1200 o C, at which titanium carbon hydrides have disordered cubic structure, is described within the framework of sp. gr. Fd3m, where the carbon atoms occupy octahedral interstices and the hydrogen atoms - tetrahedral ones. 2. 1000 o C ≤ T ≤ 1100 o C: it is still observed the disordered cubic structure in which the hydrogen atoms statistically are arranged on both octahedral and tetrahedral interstices. 3. 800 0 C ≤ T ≤ 1000 o C: formation of long-range order is observed. Crystal structure of the ordered phase is described within the framework of sp. gr. Fd3m, where the carbon atoms occupy one type of octahedral interstices 16 (c) and the hydrogen atoms - the other type of octahedral interstices 16 (d). 4. 600 o C ≤ T ≤ 800 o C: the decay of ordered cubic phase with segregation of α-Ti is observed. 5. T≤ 475 o C: the formation of metastable ordered cubic phase with the formation of periodic antiphase domains is observed, at these temperatures process of the decay is hindered. It should be noted that the formation of ordered periodic antiphase domains (long-period structure) in the interstitial phase is found for the first time. This work was supported by the Center of Science and Technology of the Republic of Uzbekistan (contract No F-2.1.2)

  6. Neutron diffraction study of ordering of atoms and antiphase domains in titanium carbohydrides

    International Nuclear Information System (INIS)

    Khidirov, I.; Mirzaev, B.B.; Sultanova, S.Kh.; Mukhtarova, N.N.; Getmanskiy, V.V.

    2004-01-01

    As a result of neutron diffraction study of titanium carbon hydrides of a number of compositions at the lower limit of the carbon homogeneity region (TiC 0.47 H 0.22 , TiC 0.47 H 0.19 , TiC 0.47 H 0.07 , TiC 0.50 H 0.21 ) after by heat treatment using special regime for preventing exit of hydrogen out of the lattice, five temperature ranges of temperature of structural changes are found out. 1. T ≥ 1200 o C, at which titanium carbon hydrides have disordered cubic structure, is described within the framework of sp. gr. Fd3m, where the carbon atoms occupy octahedral interstices and the hydrogen atoms - tetrahedral ones. 2. 1000 o C ≤ T ≤ 1100 o C: it is still observed the disordered cubic structure in which the hydrogen atoms statistically are arranged on both octahedral and tetrahedral interstices. 3. 800 0 C ≤ T ≤ 1000 o C: formation of long-range order is observed. Crystal structure of the ordered phase is described within the framework of sp. gr. Fd3m, where the carbon atoms occupy one type of octahedral interstices 16 (c) and the hydrogen atoms - the other type of octahedral interstices 16 (d). 4. 600 o C ≤ T ≤ 800 o C: the decay of ordered cubic phase with segregation of α-Ti is observed. 5. T≤ 475 o C: the formation of metastable ordered cubic phase with the formation of periodic antiphase domains is observed, at these temperatures process of the decay is hindered. It should be noted that the formation of ordered periodic antiphase domains (long-period structure) in the interstitial phase is found for the first time. This work was supported by the Center of Science and Technology of the Republic of Uzbekistan (contract No F-2.1.2). (author)

  7. Long Range Forces between Atomic Impurities in Liquid Helium

    International Nuclear Information System (INIS)

    Dupont-Roc, J.

    2002-01-01

    Van der Waals or Casimir interaction between neutral quantum objects in their ground state is known to be universally attractive. This is not necessarily so when these objects are embedded in a polarizable medium. We show that atomic impurities in liquid helium may indeed realize repulsive forces, and even Van der Waals and Casimir forces with different signs. (author)

  8. Direct separation of short range order in intermixed nanocrystalline and amorphous phases

    International Nuclear Information System (INIS)

    Frenkel, Anatoly I.; Kolobov, Alexander V.; Robinson, Ian K.; Cross, Julie O.; Maeda, Yoshihito; Bouldin, Charles E.

    2002-01-01

    Diffraction anomalous fine-structure (DAFS) and extended x-ray absorption fine-structure (EXAFS) measurements were combined to determine short range order (SRO) about a single atomic type in a sample of mixed amorphous and nanocrystalline phases of germanium. EXAFS yields information about the SRO of all Ge atoms in the sample, while DAFS determines the SRO of only the ordered fraction. We determine that the first-shell distance distribution is bimodal; the nanocrystalline distance is the same as the bulk crystal, to within 0.01(2) A ring , but the mean amorphous Ge-Ge bond length is expanded by 0.076(19) Angstrom. This approach can be applied to many systems of mixed amorphous and nanocrystalline phases

  9. Crossover phenomena in the critical range near magnetic ordering transition

    Science.gov (United States)

    Köbler, U.

    2018-05-01

    Among the most important issues of Renormalization Group (RG) theory are crossover events and relevant (or non-relevant) interactions. These terms are unknown to atomistic theories but they will be decisive for future field theories of magnetism. In this experimental study the importance of these terms for the critical dynamics above and below magnetic ordering transition is demonstrated on account of new analyses of published data. When crossover events are overlooked and critical data are fitted by a single power function of temperature over a temperature range including a crossover event, imprecise critical exponents result. The rather unsystematic and floating critical exponents reported in literature seem largely to be due to this problem. It is shown that for appropriate data analyses critical exponents are obtained that are to a good approximation rational numbers. In fact, rational critical exponents can be expected when spin dynamics is controlled by the bosons of the continuous magnetic medium (Goldstone bosons). The bosons are essentially magnetic dipole radiation generated by the precessing spins. As a result of the here performed data analyses, critical exponents for the magnetic order parameter of β = 1/2, 1/3, 1/4 and 1/6 are obtained. For the critical paramagnetic susceptibility the exponents are γ = 1 and γ = 4/3.

  10. 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

  11. Atomic size and local order effects on the high temperature strength of binary Mg alloys

    Energy Technology Data Exchange (ETDEWEB)

    Abaspour, Saeideh, E-mail: s.abaspour78@gmail.com [ARC-Centre of Excellence for Design in Light Metals, Materials Engineering, School of Engineering, The University of Queensland, Brisbane QLD 4072 (Australia); Queensland Centre for Advanced Materials Processing and Manufacturing (AMPAM), The University of Queensland (Australia); Zambelli, Victor [ARC-Centre of Excellence for Design in Light Metals, Materials Engineering, School of Engineering, The University of Queensland, Brisbane QLD 4072 (Australia); Dargusch, Matthew [Queensland Centre for Advanced Materials Processing and Manufacturing (AMPAM), The University of Queensland (Australia); Cáceres, Carlos H. [ARC-Centre of Excellence for Design in Light Metals, Materials Engineering, School of Engineering, The University of Queensland, Brisbane QLD 4072 (Australia)

    2016-09-15

    The solid solution strengthening introduced by Ca (0.6 and 0.9 at%) and Sn 0.5–2.5 at%) was studied through tensile, compression and stress relaxation tests at room temperature, 373 K (100 °C) and 453 K (180 °C) on solution heat-treated and quenched specimens and compared with existing data for binary alloys containing Ca, Sn, Y, Gd, Nd, Zn and Al as well as for AZ91 alloy. At room temperature the solution-hardening rate introduced by Ca and Sn was much higher than that of Al, matching those of Y, Gd and Zn. Calcium also reduced the tension/compression asymmetry. At high temperature Ca effectively prevented stress relaxation, nearly matching Y, Gd and Nd. Tin was less effective, but still outperformed Al and AZ91 at low stresses. The effects at room and high temperature introduced by Ca and Sn appeared consistent with the presence of short-range order, in line with those introduced by Y, Nd, Gd and Zn. The larger than Mg atom size of Ca, Nd, Gd and Y can be expected to intensify the local order by strengthening the atomic bonds through its effects on the local electron density, accounting for their greater strengthening at high temperature. For given difference in atomic size, the effects on the local order are expected to be lesser for smaller sized atoms like Sn and Zn, hence their more subdued effects.

  12. Short range ordering and microstructure property relationship in amorphous alloys

    Energy Technology Data Exchange (ETDEWEB)

    Shariq, A.

    2006-07-01

    A novel algorithm, ''Next Neighbourhood Evaluation (NNE)'', is enunciated during the course of this work, to elucidate the next neighbourhood atomic vicinity from the data, analysed using tomographic atom probe (TAP) that allows specifying atom positions and chemical identities of the next neighbouring atoms for multicomponent amorphous materials in real space. The NNE of the Pd{sub 55}Cu{sub 23}P{sub 22} bulk amorphous alloy reveals that the Pd atoms have the highest probability to be the next neighbours to each other. Moreover, P-P correlation corroborates earlier investigations with scattering techniques that P is not a direct next neighbour to another P atom. Analogous investigations on the Fe{sub 40}Ni{sub 40}B{sub 20} metallic glass ribbons, in the as quenched state and for a state heat treated at 350 C for 1 hour insinuate a pronounced elemental inhomogeneity for the annealed state, though, it also depicts glimpse of a slight inhomogeneity for B distribution even for the as quenched sample. Moreover, a comprehensive microstructural investigation has been carried out on the Zr{sub 53}Co{sub 23.5}Al{sub 23.5} glassy system. TEM and TAP investigations evince that the as cast bulk samples constitutes a composite structure of an amorphous phase and crystalline phase(s). The crystallization is essentially triggered at the mould walls due to heterogeneous nucleation. The three dimensional atomic reconstruction maps of the volume analysed by TAP reveal a complex stereological interconnected network of two phases. The phase that is rich in Zr and Al concentration is depleted in Co concentration while the phase that is rich in Co concentration is depleted both in Zr and Al. Zr{sub 53}Co{sub 23.5}Al{sub 23.5} glassy splat samples exhibit a single exothermic crystallization peak contrary to the as cast bulk sample with a different T{sub g} temperature. A single homogeneous amorphous phase revealed by TEM investigations depicts that the faster cooling

  13. Rescue dose orders as an alternative to range orders: an evidence-based practice project.

    Science.gov (United States)

    Yi, Cassia

    2015-06-01

    Relief of pain is a fundamental aspect of optimal patient care. However, pain management in the inpatient setting is often constrained by concerns related to regulatory oversight, particularly with regard to the use of opioid dose range orders. These concerns can inadvertently result in the development of policies and practices that can negatively impact the health care team's ability to deliver optimal and individualized pain management. An evidence-based practice project was undertaken to address concerns about regulatory oversight of pain management processes by changing the way pain was managed in a large academic hospital setting. A novel pain management approach using rescue dose medications was established as an alternative to opioid dose range orders. The use of the rescue dose protocol was successfully implemented. Outcomes included an overall reduction in the administration of inappropriate intravenous opioids and opioid-acetaminophen combination medications, with a subsequent increase in single-entity first-line opioid analgesics. Rescue dose protocols may offer an alternative to opioid dose range orders as a means of effectively managing pain. Copyright © 2015 American Society of PeriAnesthesia Nurses. Published by Elsevier Inc. All rights reserved.

  14. Fluctuations in substitution type alloys and their analyses. Short-range order structures

    International Nuclear Information System (INIS)

    Iwasaki, Hiroshi; Ohshima, Ken-ichi

    2010-01-01

    This article is the fifth of the serial lecture, microstructures and fluctuations, in this magazine. The formula of X-ray diffuse scattering intensity was derived for binary alloys by introducing short-range order parameters. Diffuse scattering intensities for a single crystal Cu 3 Au were measured above critical temperature for ordering. The short-range parameters were obtained by a three-dimensional Fourier analysis. The long-range pair interaction between atoms was originated from the indirect screening interaction due to conduction electrons. A detailed study was made on short-range-order diffuse scattering from Cu 3 Au in the disordered state by electron diffraction. Fourfold splitting of the diffuse scattering was observed at 110 in the reciprocal lattice, and this result was attributed to the reflection of the form of the Fermi surface. The X-ray diffuse scattering intensity was measured at room temperature for disordered Cu-Pd alloys for the six composition of Pd. Twofold and fourfold splitting of diffuse scattering due to the short-range order (SRO) were observed at 100, 110 and equivalent positions respectively from alloys with more than 13.0at% Pd. The SRO parameters were determined from all the six alloys. For Cu-Pt alloys, the diffuse scattering originated from the correlation between Cu and Pt layers in direction was observed in addition to the one due to the reflection of the Fermi surface imaging. (author)

  15. Short-Range-Order for fcc-based Binary Alloys Revisited from Microscopic Geometry

    Science.gov (United States)

    Yuge, Koretaka

    2018-04-01

    Short-range order (SRO) in disordered alloys is typically interpreted as competition between chemical effect of negative (or positive) energy gain by mixing constituent elements and geometric effects comes from difference in effective atomic radius. Although we have a number of theoretical approaches to quantitatively estimate SRO at given temperatures, it is still unclear to systematically understand trends in SRO for binary alloys in terms of geometric character, e.g., effective atomic radius for constituents. Since chemical effect plays significant role on SRO, it has been believed that purely geometric character cannot capture the SRO trends. Despite these considerations, based on the density functional theory (DFT) calculations on fcc-based 28 equiatomic binary alloys, we find that while conventional Goldschmidt or DFT-based atomic radius for constituents have no significant correlation with SRO, atomic radius for specially selected structure, constructed purely from information about underlying lattice, can successfully capture the magnitude of SRO. These facts strongly indicate that purely geometric information of the system plays central role to determine characteristic disordered structure.

  16. Edge Singularities and Quasilong-Range Order in Nonequilibrium Steady States

    Science.gov (United States)

    De Nardis, Jacopo; Panfil, Miłosz

    2018-05-01

    The singularities of the dynamical response function are one of the most remarkable effects in many-body interacting systems. However in one dimension these divergences only exist strictly at zero temperature, making their observation very difficult in most cold atomic experimental settings. Moreover the presence of a finite temperature destroys another feature of one-dimensional quantum liquids: the real space quasilong-range order in which the spatial correlation functions exhibit power-law decay. We consider a nonequilibrium protocol where two interacting Bose gases are prepared either at different temperatures or chemical potentials and then joined. We show that the nonequilibrium steady state emerging at large times around the junction displays edge singularities in the response function and quasilong-range order.

  17. A first-principles study of short range order in Cu-Zn

    International Nuclear Information System (INIS)

    Slutter, M.; Turchi, P.E.A.; Johnson, D.D.; Nicholson, D.M.; Stocks, G.M.; Pinski, F.J.

    1990-01-01

    Recently, measurements of short-range order (SRO) diffuse neutron scattering intensity have been performed on quenched Cu-Zn alloys with 22.4 to 31.1 atomic percent (a/o) Zn, and pair interactions were obtained by inverse Monte Carlo simulation. These results are compared to SRO intensities and effective pair interactions obtained from first-principles electronic structure calculations. The theoretical SRO intensities were calculated with the cluster variation method (CVM) in the tetrahedron-octahedron approximation with first-principles pain interactions as input. More generally, phase stability in the Cu-Zn alloy system is discussed, using ab-initio energetic properties

  18. Short range order of Mg-Cd-alloys during the transition from the solid to the molten state

    International Nuclear Information System (INIS)

    Boos, A.; Steeb, S.

    1977-01-01

    Recently a method was published for the determination of short range order parameters in binary melts and also a method for the determination of the concentration of different structures which form such a melt. These methods are used in the present work to evaluate the atomic structure of Mg-Cd-melts and to reval the changes in short range order during the melting process. (orig.) [de

  19. Impact of medium-range order on the glass transition in liquid Ni-Si alloys

    Science.gov (United States)

    Lü, Y. J.; Entel, P.

    2011-09-01

    We study the thermophysical properties and structure of liquid Ni-Si alloys using molecular dynamics simulations. The liquid Ni-5% and 10%Si alloys crystallize to form the face-centered cubic (Ni) at 900 and 850 K, respectively, and the glass transitions take place in Ni-20% and 25%Si alloys at about 700 K. The temperature-dependent self-diffusion coefficients and viscosities exhibit more pronounced non-Arrhenius behavior with the increase of Si content before phase transitions, indicating the enhanced glass-forming ability. These appearances of thermodynamic properties and phase transitions are found to closely relate to the medium-range order clusters with the defective face-centered cubic structure characterized by both local translational and orientational order. This locally ordered structure tends to be destroyed by the addition of more Si atoms, resulting in a delay of nucleation and even glass transition instead.

  20. Short-range order studies in nonstoichiometric transition metal carbides and nitrides by neutron diffuse scattering

    International Nuclear Information System (INIS)

    Priem, Thierry

    1988-01-01

    Short-range order in non-stoichiometric transition metal carbides and nitrides (TiN 0.82 , TiC 0.64 , TiC 0.76 , NbC 0.73 and NbC 0.83 ) was investigated by thermal neutron diffuse scattering on G4-4 (L.L.B - Saclay) and D10 (I.L.L. Grenoble) spectrometers. From experimental measurements, we have found that metalloid vacancies (carbon or nitrogen) prefer the f.c.c. third neighbour positions. Ordering interaction energies were calculated within the Ising model framework by three approximations: mean field (Clapp and Moss formula), Monte-Carlo simulation, Cluster variation Method. The energies obtained by the two latter methods are very close, and in qualitative agreement with theoretical values calculated from the band structure. Theoretical phase diagrams were calculated from these ordering energies for TiN x and TiC x ; three ordered structures were predicted, corresponding to compositions Ti 6 N 5 Ti 2 C and Ti 3 C 2 . On the other hand, atomic displacements are induced by vacancies. The metal first neighbours were found to move away from a vacancy, whereas the second neighbours move close to it. Near neighbour atomic displacements were theoretically determined by the lattice statics formalism with results in good agreement with experiment. (author) [fr

  1. 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)

  2. Intense multimicrojoule high-order harmonics generated from neutral atoms of In2O3 nanoparticles

    International Nuclear Information System (INIS)

    Elouga Bom, L. B.; Abdul-Hadi, J.; Vidal, F.; Ozaki, T.; Ganeev, R. A.

    2009-01-01

    We studied high-order harmonic generation from plasma that contains an abundance of indium oxide nanoparticles. We found that harmonics from nanoparticle-containing plasma are considerably more intense than from plasma produced on the In 2 O 3 bulk target, with high-order harmonic energy ranging from 6 μJ (for the ninth harmonic) to 1 μJ (for the 17th harmonic) in the former case. The harmonic cutoff from nanoparticles was at the 21st order, which is lower than that observed using indium oxide solid target. By comparing the harmonic spectra obtained from solid and nanoparticle indium oxide targets, we concluded that intense harmonics in the latter case are dominantly generated from neutral atoms of the In 2 O 3 nanoparticles

  3. Applications to particle and atomic physics of a ''theorem'' on the order of energy levels

    International Nuclear Information System (INIS)

    Grosse, H.; Pflug, A.; Martin, A.

    1984-01-01

    The sign of the Laplacian of the potential, in the Schroedinger equation, indicates in which way Coulomb degeneracy is lifted. We propose three applications of this property. The first one concerns the order of levels in heavy quark systems, the second the effects of the finite size of nuclei in mesic atoms, and the third the filling of atomic shells and the order of levels in alkaline atoms [fr

  4. Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

    KAUST Repository

    Zhang, J.-Y.; Babb, J. F.; Mitroy, J.; Sadeghpour, H. R.; Schwingenschlö gl, Udo; Yan, Z.-C.

    2013-01-01

    Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

  5. Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

    KAUST Repository

    Zhang, J.-Y.

    2013-04-05

    Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

  6. Scattering of an ultrashort electromagnetic radiation pulse by an atom in a broad spectral range

    International Nuclear Information System (INIS)

    Astapenko, V. A.

    2011-01-01

    The scattering of an ultrashort electromagnetic pulse by atomic particles is described using a consistent quantum-mechanical approach taking into account excitation of a target and nondipole electromagnetic interaction, which is valid in a broad spectral range. This approach is applied to the scattering of single- and few-cycle pulses by a multielectron atom and a hydrogen atom. Scattering spectra are obtained for ultrashort pulses of different durations. The relative contribution of “elastic” scattering of a single-cycle pulse by a hydrogen atom is studied in the high-frequency limit as a function of the carrier frequency and scattering angle.

  7. Short- and medium-range order in a Zr73Pt27 glass: Experimental and simulation studies

    International Nuclear Information System (INIS)

    Wang, S.Y.; Wang, C.Z.; Li, M.Z.; Huang, L.; Ott, R.T.; Kramer, M.J.; Sordelet, D.J.; Ho, K.M.

    2008-01-01

    The structure of a Zr 73 Pt 27 metallic glass, which forms a Zr 5 Pt 3 (Mn 5 Si 3 -type) phase having local atomic clusters with distorted icosahedral coordination during the primary crystallization, has been investigated by means of x-ray diffraction and combining ab initio molecular-dynamics (MD) and reverse Monte Carlo (RMC) simulations. The ab initio MD simulation provides an accurate description of short-range structural and chemical ordering in the glass. A three-dimensional atomistic model of 18?000 atoms for the glass structure has been generated by the RMC method utilizing both the structure factor S(k) from x-ray diffraction experiment and the partial pair-correlation functions from ab initio MD simulation. Honeycutt and Andersen index and Voronoi cell analyses, respectively, were used to characterize the short- and medium-range order in the atomistic structure models generated by ab initio MD and RMC simulations. The ab initio results show that an icosahedral type of short-range order is predominant in the glass state. Furthermore, analysis of the atomic model from the constrained RMC simulations reveals that the icosahedral-like clusters are packed in arrangements having higher-order correlations, thus establishing medium-range topological order up to two or three cluster shells.

  8. Short range order and phase separation in Ti-rich Ti-Al alloys

    International Nuclear Information System (INIS)

    Liew, H.J.

    1999-01-01

    of the reaction over a range of scales, from the atomic level on which order occurs through to large scale precipitates. Ti-15at%Al displays a phase separation mechanism involving both ordering and chemical phase decomposition which occurs in a time and temperature range that is readily accessible experimentally. Hence this alloy is an appropriate model system on which to conduct fundamental investigations into a complex decomposition mechanism and its kinetics. Both experimental and modelling results show that short range order develops rapidly in the alloy, and is followed by the formation and growth of congruent long range ordered regions of DO 19 structure. At a later stage composition variations form and increase in amplitude through a spinodal mechanism. From these findings, it cannot be ruled out that the observed decomposition sequence is due solely to the kinetics of ordering being more rapid than those of chemical phase separation. However, there are some indications which suggest that a thermodynamic criterion is operating, such that the onset of chemical phase separation occurs only after ordering has been achieved to some extent. The observed mechanism is fully consistent in appearance with the class of reactions known as conditional spinodals. (author)

  9. Convergence of third order correlation energy in atoms and molecules.

    Science.gov (United States)

    Kahn, Kalju; Granovsky, Alex A; Noga, Jozef

    2007-01-30

    We have investigated the convergence of third order correlation energy within the hierarchies of correlation consistent basis sets for helium, neon, and water, and for three stationary points of hydrogen peroxide. This analysis confirms that singlet pair energies converge much slower than triplet pair energies. In addition, singlet pair energies with (aug)-cc-pVDZ and (aug)-cc-pVTZ basis sets do not follow a converging trend and energies with three basis sets larger than aug-cc-pVTZ are generally required for reliable extrapolations of third order correlation energies, making so the explicitly correlated R12 calculations preferable.

  10. Polyamorphism and substructure of short-range order in amorphous boron films

    International Nuclear Information System (INIS)

    Palatnik, L.S.; Nechitajlo, A.A.; Koz'ma, A.A.

    1981-01-01

    The structure and substructure of boron amorphous films are studied in detail. Amorphous condensate of Bsup(a) boron is built of the same (but only disorientedly located) 12 B icosahedrons as boron crystalline modifications: B 105 -equilibrium β-rhombic, metastable: B 50 -tetragonal, B 12 -α-rhombohedral Coordination number for Bsup(a) (Z 1 =6.4) is lower than in B 105 (Z 1 =6.6) but higher than in B 50 modification (Z 1 =6.1). In crystalline modifications B 105 , B 50 , B 12 coordination numbers ω in first coordination spheres of icosahedrons are equal to ν 105 =6+4.6=10.6; ν 50 =10+3=14; ν 12 =6 respectively. Both amorphous modifications of boron Bsub(1)sup(a) and Bsub(15)sup(a) are analogs to B 50 in respect of the short-range order of icosahedron location. The difference between them is in ''substructure'' of short-range order: part of boron atoms (approximately 12%) do not occupy the vertices (so that vacancies appear) and enter the emptinesses between icosahedrons. In other words, the structure B 50 is the model basis of both amorphous phases [ru

  11. Long-range dispersion interactions. I. Formalism for two heteronuclear atoms

    International Nuclear Information System (INIS)

    Zhang, J.-Y.; Mitroy, J.

    2007-01-01

    A general procedure for systematically evaluating the long-range dispersion interaction between two heteronuclear atoms in arbitrary states is outlined. The C 6 dispersion parameter can always be written in terms of sum rules involving oscillator strengths only and formulas for a number of symmetry cases are given. The dispersion coefficients for excited alkali-metal atoms interacting with the ground-state H and He are tabulated

  12. Natural gels: crystal-chemistry of short range ordered components in Al, Fe, and Si systems

    International Nuclear Information System (INIS)

    Ildefonse, Ph.; Calas, G.

    1997-01-01

    In this review, the most important inorganic natural gels are presented: opal, aluminosilicate (allophanes) and hydrous iron oxides and silicates. It is demonstrated that natural gels are ordered at the atomic scale. In allophanes, Al is distributed between octahedral and tetrahedral sites. The amount of Al increases as Al/Si ratio decreases. Si-rich allophane have a local structure around Al and Si very different of that is known in kaolinite or halloysite. Transformation of Si-rich allophanes to crystallized minerals implies dissolution-recrystallization processes. On the contrary, in iron silicate with Fe/Si = 0.72, Si and Fe environments are close to those found in nontronite. The gel transformation to Fe-smectite may occur by long range ordering during ageing. In ferric silicate gels, the similarity of local structure around Fe in poorly ordered precursors and what is known in crystallized minerals suggests a solid transformation during ageing. This difference between iron and aluminium is mainly due to the ability of Al to enter both tetrahedral and octahedral sites, while the affinity of iron for octahedral sites is higher at low temperature

  13. Evolution of short range order in Ar: Liquid to glass and solid transitions-A computational study

    Science.gov (United States)

    Shor, Stanislav; Yahel, Eyal; Makov, Guy

    2018-04-01

    The evolution of the short range order (SRO) as a function of temperature in a Lennard-Jones model liquid with Ar parameters was determined and juxtaposed with thermodynamic and kinetic properties obtained as the liquid was cooled (heated) and transformed between crystalline solid or glassy states and an undercooled liquid. The Lennard-Jones system was studied by non-equilibrium molecular dynamics simulations of large supercells (approximately 20000 atoms) rapidly cooled or heated at selected quenching rates and at constant pressure. The liquid to solid transition was identified by discontinuities in the atomic volume and molar enthalpy; the glass transition temperature range was identified from the temperature dependence of the self-diffusion. The SRO was studied within the quasi-crystalline model (QCM) framework and compared with the Steinhardt bond order parameters. Within the QCM it was found that the SRO evolves from a bcc-like order in the liquid through a bct-like short range order (c/a=1.2) in the supercooled liquid which persists into the glass and finally to a fcc-like ordering in the crystalline solid. The variation of the SRO that results from the QCM compares well with that obtained with Steinhardt's bond order parameters. The hypothesis of icosahedral order in liquids and glasses is not supported by our results.

  14. Topological approach to separate order from disorder in simulated atomic arrays

    International Nuclear Information System (INIS)

    Borodin, Vladimir A.

    2003-01-01

    Computer simulations involving transitions between ordered (crystalline) and disordered phases in solids are common in material science. Usually, it is of interest to know, which atoms in simulated atomic arrays belong to crystalline phase and which are in 'disordered' state (melt, amorphous pockets, individual point defects, etc.). In this paper we discuss a possible strategy to achieve this knowledge, using only information about simulated atomic positions and applying topological processing of the local atomic environments. The steps in practical realization of this strategy are discussed in more detail

  15. Dilatometry of nonstoichiometric titanium carbide in the range of order-disorder phase transformation

    International Nuclear Information System (INIS)

    Karpov, A.V.; Kobyakov, V.P.; Chernomorskaya, E.A.

    1995-01-01

    Method of dilatometry was used for investigation of TiC x (0.49 x in ordered and disordered states, as well as on transformation heat were obtained. Increase of bond strength in result of carbon atom ordering in carbon sublattice was noted. 14 refs., 6 figs

  16. Positional short-range order in the nematic phase of n BABAs

    Science.gov (United States)

    Usha Deniz, K.; Pepy, G.; Parette, G.; Keller, P.

    1991-10-01

    The positional short-range order, SRO ⊥, perpendicular to the nematic director n̂ has been studied in the fibre-type nematics, nBABAs, by neutron diffraction. SRO ⊥ is found to be dependent on other types of nematic short-range order but not on the orientational long-range order.

  17. Effect of short-range ordering on the electrical conductivity and superconducting properties of Nb6C5 single crystals

    International Nuclear Information System (INIS)

    Utkina, T.G.

    1995-01-01

    Niobium carbide, NbC x , belongs to the family of so called interstital phases. Metal atoms form a face-centered cubic lattice, whose octahedral interstices are occupied by carbon atoms. The fraction (1 - x) of interstices remain vacant, and this determines the nonstoichiometry of these phases: most of them are characterized by a wide homogeneity range, 0.70 m ≅ 3308 - 3886 K). In contrast, the metalloid atoms exhibit high mobility at relatively low temperatures. For compositions close to Nb 6 C 5 (0.81 O-D ≅ 1300 K. The presence of vacancies in the carbon sublattice considerably affects the physical properties of carbides, which depend not only on total vacancy concentration but also on their distribution, i.e., on the degree of ordering (both short-range and long-range order) in the metalloid sublattice. The purpose of this work is to study the effects of such ordering on the superconducting properties of Nb 6 C 5 single crystals

  18. Tensorial analysis of the long-range interaction between metastable alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Santra, Robin; Greene, Chris H.

    2003-01-01

    Alkaline-earth-metal atoms in their lowest (nsnp) 3 P 2 state are exceptionally long lived and can be trapped magnetically. The nonspherical atomic structure leads to anisotropic long-range interactions between two metastable alkaline-earth-metal atoms. The anisotropy affects the rotational motion of the diatomic system and couples states of different rotational quantum numbers. This paper develops a tensorial decomposition of the most important long-range interaction operators, and a systematic inclusion of molecular rotations, in the presence of an external magnetic field. This analysis illuminates the nature of the coupling between the various degrees of freedom. The consequences are illustrated by application to a system of practical interest: metastable 88 Sr. Using atomic parameters determined in a nearly ab initio calculation, we compute adiabatic potential-energy curves. The anisotropic interatomic interaction, in combination with the applied magnetic field, is demonstrated to induce the formation of a long-range molecular potential well. This curve correlates to two fully polarized, low-field seeking atoms in a rotational s-wave state. The coupling among molecular rotational states controls the existence of the potential well, and its properties vary as a function of magnetic-field strength, thus allowing the scattering length in this state to be tuned. The scattering length of metastable 88 Sr displays a resonance at a field of 339 G

  19. Loss of long-range magnetic order in a nanoparticle assembly due to random anisotropy

    International Nuclear Information System (INIS)

    Binns, C; Howes, P B; Baker, S H; Marchetto, H; Potenza, A; Steadman, P; Dhesi, S S; Roy, M; Everard, M J; Rushforth, A

    2008-01-01

    We have used soft x-ray photoemission electron microscopy (XPEEM) combined with x-ray magnetic circular dichroism (XMCD) and DC SQUID (superconducting quantum interference device) magnetometry to probe the magnetic ground state in Fe thin films produced by depositing size-selected gas-phase Fe nanoparticles with a diameter of 1.7 nm (∼200 atoms) onto Si substrates. The depositions were carried out in ultrahigh vacuum conditions and thicknesses of the deposited film in the range 5-50 nm were studied. The magnetometry data are consistent with the film forming a correlated super-spin glass with a magnetic correlation length ∼5 nm. The XPEEM magnetic maps from the cluster-assembled films were compared to those for a conventional thin Fe film with a thickness of 20 nm produced by a molecular beam epitaxy (MBE) source. Whereas a normal magnetic domain structure is observed in the conventional MBE thin film, no domain structure could be observed in any of the nanoparticle films down to the resolution limit of the XMCD based XPEEM (100 nm) confirming the ground state indicated by the magnetometry measurements. This observation is consistent with the theoretical prediction that an arbitrarily weak random anisotropy field will destroy long-range magnetic order

  20. High-resolution and large dynamic range nanomechanical mapping in tapping-mode atomic force microscopy

    International Nuclear Information System (INIS)

    Sahin, Ozgur; Erina, Natalia

    2008-01-01

    High spatial resolution imaging of material properties is an important task for the continued development of nanomaterials and studies of biological systems. Time-varying interaction forces between the vibrating tip and the sample in a tapping-mode atomic force microscope contain detailed information about the elastic, adhesive, and dissipative response of the sample. We report real-time measurement and analysis of the time-varying tip-sample interaction forces with recently introduced torsional harmonic cantilevers. With these measurements, high-resolution maps of elastic modulus, adhesion force, energy dissipation, and topography are generated simultaneously in a single scan. With peak tapping forces as low as 0.6 nN, we demonstrate measurements on blended polymers and self-assembled molecular architectures with feature sizes at 1, 10, and 500 nm. We also observed an elastic modulus measurement range of four orders of magnitude (1 MPa to 10 GPa) for a single cantilever under identical feedback conditions, which can be particularly useful for analyzing heterogeneous samples with largely different material components.

  1. Long-range dispersion interactions. III: Method for two homonuclear atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Zhang, J.-Y.

    2007-01-01

    A procedure for systematically evaluating the long-range dispersion interaction between two homonuclear atoms in arbitrary LS coupled states is outlined. The method is then used to generate dispersion coefficients for a number of the low-lying states of the Na and Mg dimers

  2. Tunable-Range, Photon-Mediated Atomic Interactions in Multimode Cavity QED

    Directory of Open Access Journals (Sweden)

    Varun D. Vaidya

    2018-01-01

    Full Text Available Optical cavity QED provides a platform with which to explore quantum many-body physics in driven-dissipative systems. Single-mode cavities provide strong, infinite-range photon-mediated interactions among intracavity atoms. However, these global all-to-all couplings are limiting from the perspective of exploring quantum many-body physics beyond the mean-field approximation. The present work demonstrates that local couplings can be created using multimode cavity QED. This is established through measurements of the threshold of a superradiant, self-organization phase transition versus atomic position. Specifically, we experimentally show that the interference of near-degenerate cavity modes leads to both a strong and tunable-range interaction between Bose-Einstein condensates (BECs trapped within the cavity. We exploit the symmetry of a confocal cavity to measure the interaction between real BECs and their virtual images without unwanted contributions arising from the merger of real BECs. Atom-atom coupling may be tuned from short range to long range. This capability paves the way toward future explorations of exotic, strongly correlated systems such as quantum liquid crystals and driven-dissipative spin glasses.

  3. Calculation of atom ranges in solids for quasi-small-angle scattering

    International Nuclear Information System (INIS)

    Pustovit, A.N.

    2004-01-01

    A formula for quasi-small-angle scattering of atomic particle and power law interaction potential have been used for the calculation of the differential cross-section, elastic stopping cross-section and a mean projected range in a solid. It is found that the limit energy transfer in the collisions depends on the screening of the power law interaction potentials. The calculated mean ranges in matter are compared with experimental data [ru

  4. Royal Order of 18 May 1971 regulating Ministerial competences in atomic energy

    International Nuclear Information System (INIS)

    1971-01-01

    This Order suppresses the office of Commissioner for Atomic Energy and lays down that questions relating to the peaceful use of atomic energy and to nuclear research centres fall within the competence of the Minister for Economic Affairs. The Prime Minister, responsible for co-ordinating scientific policy, is competent for the organization and programming of nuclear research activities financed by the State. (NEA) [fr

  5. Local atomic order in nanocrystalline Fe-based alloys obtained by mechanical alloying

    International Nuclear Information System (INIS)

    Jartych, E.

    2003-01-01

    Using the 57 Fe Moessbauer spectroscopy, a local atomic order in nanocrystalline alloys of iron with Al, Ni, W and Mo has been determined. Alloys were prepared by mechanical alloying method. Analysis of Moessbauer spectra was performed on the basis of the local environment model in terms of Warren-Cowley parameters. It was shown that impurity atoms are not randomly distributed in the volume of the first and the second co-ordination spheres of 57 Fe nuclei and they form clusters

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

    Science.gov (United States)

    Armstrong, Lloyd, Jr.

    1982-03-01

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

  7. Calculation of Bremsstrahlung radiation of electrons on atoms in wide energy range of photons

    CERN Document Server

    Romanikhin, V P

    2002-01-01

    The complete spectra of the Bremsstrahlung radiation on the krypton atoms within the range of the photon energies of 10-25000 eV and lanthanum near the potential of the 4d-shell ionization is carried out. The atoms summarized polarizability is calculated on the basis of the simple semiclassical approximation of the local electron density and experimental data on the photoabsorption. The comparison with the calculational results is carried out through the method of distorted partial waves (PDWA) for Kr and with the experimental data on La

  8. High-resolution continuum source electrothermal atomic absorption spectrometry: Linearization of the calibration curves within a broad concentration range

    Energy Technology Data Exchange (ETDEWEB)

    Katskov, Dmitri, E-mail: katskovda@tut.ac.za [Tshwane University of Technology, Chemistry Department, Pretoria 0001 (South Africa); Hlongwane, Miranda [Tshwane University of Technology, Chemistry Department, Pretoria 0001 (South Africa); Heitmann, Uwe [German Aerospace Center, Rose-Luxemburg Str. 2, 10178 Berlin (Germany); Florek, Stefan [ISAS-Leibniz-Institut fuer Analytische Wissenschaften e.V., Albert-Einstein-Str. 9,12489 Berlin (Germany)

    2012-05-15

    The calculation algorithm suggested provides linearization of the calibration curves in high-resolution continuum source electrothermal atomic absorption spectrometry. The algorithm is based on the modification of the function wavelength-integrated absorbance vs. concentration of analyte vapor in the absorption volume. According to the suggested approach, the absorption line is represented by a triangle for low and trapezium for high analyte vapor concentration in the absorption volume. The respective semi-empirical formulas include two linearization parameters, which depend on properties of the absorption line and characteristics of the atomizer and spectrometer. The parameters can be approximately evaluated from the theory and determined in practice from the original broad-range calibration curve. The parameters were found and the proposed calculation algorithm verified in the experiments on direct determination of Ag, Cd, Cu, Fe, Mn and Pb in the solutions within a concentration ranges from 0.15 to 625 {mu}g{center_dot}L{sup -1} using tube, platform tube and filter furnace atomizers. The use of various atomizers, lines, elements and atomization temperatures made possible the simulation of various practical analytical conditions. It was found that the algorithm and optimal linearization parameters made it possible to obtain for each line and atomizer linear approximations of the calibration curves within 3-4 orders of magnitude with correlation coefficients close to 0.999. The algorithm makes possible to employ a single line for the direct element determination over a broad concentration range. The sources of errors and the possibility of a priori theoretical evaluation of the linearization parameters are discussed. - Highlights: Black-Right-Pointing-Pointer New calculation algorithm for HR-CS ET AAS measurements was proposed and applied. Black-Right-Pointing-Pointer The suggested formulas include two parameters to be determined experimentally. Black

  9. Short-range order analysis and some physical properties of InxSe1-x glasses

    International Nuclear Information System (INIS)

    El-Kabany, N.

    2012-01-01

    Bulk In x Se 1-x (with x=5-25 at%) glasses were prepared using the melt-quench technique. Short range order(SRO) was examined by the X-ray diffraction using Cu(k α ) radiation in the wave vector interval 0.28≤k≤6.5 A 0-1 .The SRO parameters have been obtained from the radial distribution function. The inter-atomic distance obtained from the first and second peak are r 1 =0.263 and r 2 =0.460 nm, which is equivalent In-Se and Se-Se bond length. The fundamental structural unit for the studied glasses is In 2 Se 3 pyramid. Using the differential scanning calorimetry (DSC), the crystallization mechanism of In x Se 1-x chalcogenide glass has been studied. The glass transition activation energy (E g ) is 289±0.3 kj/mol.There is a correlation amongst the glass forming ability, bond strength and the number of lone pair electrons. The utility of the Gibbs-Di Marzio relation was achieved by estimating T g theoretically.

  10. Dependence of the relative stability between austenite and martensite phases on the atomic order in a Ni–Mn–In Metamagnetic Shape Memory Alloy

    International Nuclear Information System (INIS)

    Recarte, V.; Pérez-Landazábal, J.I.; Sánchez-Alarcos, V.

    2012-01-01

    Highlights: ► We analyze the influence of the atomic order on the transformations in Ni-Mn-In MSMA. ► Ordering decreases the martensitic transformation and increases the Curie temperature. ► The transformation entropy change depends on the atomic order. ► The shift of the transformation with the magnetic field depends on the atomic order. - Abstract: The influence of the atomic order on the magnetic properties and the relative stability between phases in a Ni–Mn–In Metamagnetic Shape Memory Alloy has been studied through the analysis of the effect of the different quenching treatments on the magnetic and structural transformation temperatures. As a consequence of the variation on the degree of long-range atomic order, the martensitic transformation temperature highly increases with the increasing quenching temperature whereas the Curie temperature slightly decreases. The modification of the atomic order brought by the quenching process also promotes a reduction of the entropy change linked to the martensitic transformation. In turn, no evolution of the magnetization change at the martensitic transformation is detected. According to the Claussius–Clapeyron equation, the achievable shift of the martensitic transformation temperature with the applied magnetic field also depends on the degree of atomic order.

  11. Long-range interactions between excited helium and alkali-metal atoms

    KAUST Repository

    Zhang, J.-Y.

    2012-12-03

    The dispersion coefficients for the long-range interaction of the first four excited states of He, i.e., He(2 1,3S) and He(2 1,3P), with the low-lying states of the alkali-metal atoms Li, Na, K, and Rb are calculated by summing over the reduced matrix elements of the multipole transition operators. For the interaction between He and Li the uncertainty of the calculations is 0.1–0.5%. For interactions with other alkali-metal atoms the uncertainty is 1–3% in the coefficient C5, 1–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first 2P states are presented in this Brief Report. The coefficients for other pairs of atomic states are listed in the Supplemental Material.

  12. Dependence of the martensitic transformation and magnetic transition on the atomic order in Ni–Mn–In metamagnetic shape memory alloys

    International Nuclear Information System (INIS)

    Recarte, V.; Pérez-Landazábal, J.I.; Sánchez-Alarcos, V.; Rodríguez-Velamazán, J.A.

    2012-01-01

    The analysis of atomic order and its influence on the magnetic and structural properties of Ni–Mn–In metamagnetic shape memory alloys has been performed. The effect of the different thermal treatments on the magnetic and structural transformation temperatures, as well as on the thermodynamics of the martensitic transformation, has been made by calorimetric measurements. The evolution of the degree of long-range atomic order with temperature has been determined by neutron diffraction experiments, thus confirming the effect of thermal treatments on the atomic order. Calorimetric and structural results allow thermal treatments to be directly related to atomic order, and to allow the effect of the atomic order on the martensitic and magnetic transformations in Ni–Mn–In alloys to be quantified. The thermodynamics of the martensitic transformation depends on the atomic order as indicated out by its influence on the transformation entropy. In addition, a correlation between the transformation entropy and changes in the magnetic-field-induced transformation temperatures has been found through the evolution of the atomic order.

  13. Atomic Resolution Imaging of Nanoscale Structural Ordering in a Complex Metal Oxide Catalyst

    KAUST Repository

    Zhu, Yihan

    2012-08-28

    The determination of the atomic structure of a functional material is crucial to understanding its "structure-to-property" relationship (e.g., the active sites in a catalyst), which is however challenging if the structure possesses complex inhomogeneities. Here, we report an atomic structure study of an important MoVTeO complex metal oxide catalyst that is potentially useful for the industrially relevant propane-based BP/SOHIO process. We combined aberration-corrected scanning transmission electron microscopy with synchrotron powder X-ray crystallography to explore the structure at both nanoscopic and macroscopic scales. At the nanoscopic scale, this material exhibits structural and compositional order within nanosized "domains", while the domains show disordered distribution at the macroscopic scale. We proposed that the intradomain compositional ordering and the interdomain electric dipolar interaction synergistically induce the displacement of Te atoms in the Mo-V-O channels, which determines the geometry of the multifunctional metal oxo-active sites.

  14. Long range order in the ground state of two-dimensional antiferromagnets

    International Nuclear Information System (INIS)

    Neves, E.J.; Perez, J.F.

    1985-01-01

    The existence of long range order is shown in the ground state of the two-dimensional isotropic Heisenberg antiferromagnet for S >= 3/2. The method yields also long range order for the ground state of a larger class of anisotropic quantum antiferromagnetic spin systems with or without transverse magnetic fields. (Author) [pt

  15. Atomic ordering, phase stability and superconductivity in bulk and filamentary A15 type compounds

    International Nuclear Information System (INIS)

    Fluekiger, R.

    1987-05-01

    The influence of atomic ordering effects and ordering kinetics on the superconducting and metallurgical properties of A15 type compounds are critically discussed based on own and literature data. First, the techniques for determining the order parameter are reviewed. The dependence of T c vs. S in various A15 type compounds as a function of the quenching temperature and of the high energy particle irradiation fluence is discussed. A model for the disordering mechanism in A15 compounds is established, based on the new concept of the virtual lattice site. It is shown that the disordering mechanism is the same in both cases, high temperature heat treatment and high energy particle irradiation. The very complete representation of ordering effects also contains the variation of other properties, e.g. γ, θ D , ρ o and B c2 (0). Furthermore, it allows to draw empirical correlations between atomic ordering and A15 phase stability. Finally, it is shown on selected examples that the optimization of the critical current density at high fields in Nb 3 Sn wires by alloying is nothing else than a consequence of the occurrence of perfect atomic ordering in binary Nb 3 Sn. (orig.)

  16. Short-range order in Fe-based metallic glasses: Wide-angle X-ray scattering studies

    International Nuclear Information System (INIS)

    Babilas, Rafał; Hawełek, Łukasz; Burian, Andrzej

    2014-01-01

    The local atomic structure of the Fe 80 B 20 , Fe 70 Nb 10 B 20 and Fe 62 Nb 8 B 30 glasses prepared in the form of ribbons has been studied by wide-angle X-ray scattering. Structural information about the amorphous ribbons has been derived from analysis of the radial distribution functions using the least-squares curve-fitting method. The obtained structural parameters indicate that Fe–Fe, Fe–B, Fe–Nb and Nb–B contributions are involved in the near-neighbor coordination spheres. The possible similarities of the local atomic arrangement in the investigated glasses and the crystalline Fe 3 B, Fe 23 B 6 and bcc Fe structures are also discussed. - Graphical abstract: Pair distribution functions (a) and best-fit model and experimental radial distribution functions for Fe 80 B 20 (b), Fe 70 Nb 10 B 20 (c) and Fe 62 Nb 8 B 30 (d) metallic glasses. - Highlights: • The short-range ordering in the Fe-based metallic glasses is presented. • The results of RDF function have been analyzed using the least-squares method. • The Fe–Fe, Fe–B, Fe–Nb or Nb–B contributions are involved in coordination spheres. • The structural unit is distorted triangular prism containing B, Fe or Nb atoms. • Similarities of atomic arrangement in glassy and crystalline structures are discussed

  17. Methods for studying short-range order in solid binary solutions

    International Nuclear Information System (INIS)

    Beranger, Gerard

    1969-12-01

    The short range order definition and its characteristic parameters are first recalled. The different methods to study the short range order are then examined: X ray diffusion, electrical resistivity, specific heat and thermoelectric power, neutron diffraction, electron spin resonance, study of thermodynamic and mechanical properties. The theory of the X ray diffraction effects due to short range order and the subsequent experimental method are emphasized. The principal results obtained from binary Systems, by the different experimental techniques, are reported and briefly discussed. The Au-Cu, Li-Mg, Au-Ni and Cu-Zn Systems are moreover described. (author) [fr

  18. Determination of hyperfine fields and atomic ordering in NiMnFeGe exhibiting martensitic transformation

    Directory of Open Access Journals (Sweden)

    Satuła Dariusz

    2015-03-01

    Full Text Available The hyperfine fields and atomic ordering in Ni1−xFexMnGe (x = 0.1, 0.2, 0.3 alloys were investigated using X-ray diffraction and Mössbauer spectroscopy at room temperature. The X-ray diffraction measurements show that the samples with x = 0.2, 0.3 crystallized in the hexagonal Ni2In-type of structure, whereas in the sample with x = 0.1, the coexistence of two phases, Ni2In- and orthorhombic TiNiSi-type of structures, were found. The Mössbauer spectra measured with x = 0.2, 0.3 show three doublets with different values of isomer shift (IS and quadrupole splitting (QS related to three different local surroundings of Fe atoms in the hexagonal Ni2In-type structure. It was shown that Fe atoms in the hexagonal Ni2In-type structure of as-cast Ni1−xFexMnGe alloys are preferentially located in Ni sites and small amount of Fe is located in Mn and probably in Ge sites. The spectrum for x = 0.1 shows the doublets in the central part of spectrum and a broad sextet. The doublets originate from the Fe atoms in the paramagnetic state of hexagonal Ni2In-type structure, whereas the sextet results from the Fe atoms in orthorhombic TiNiSi-type structure.

  19. Quantum-orbit theory of high-order atomic processes in strong fields

    International Nuclear Information System (INIS)

    Milosevic, D.B.

    2005-01-01

    Full text: Atoms submitted to strong laser fields can emit electrons and photons of very high energies. These processes find a highly intuitive and also quantitative explanation in terms of Feynman's path integral and the concept of quantum orbits. The quantum-orbit formalism is particularly useful for high-order atomic processes in strong laser fields. For such multi-step processes there is an intermediate step during which the electron is approximately under the influence of the laser field only and can absorb energy from the field. This leads to the appearance of the plateau structures in the emitted electron or photon spectra. Usual examples of such processes are high-order harmonic generation (HHG) and high-order above threshold ionization (HATI). These structures were also observed in high-order above-threshold detachment, laser-assisted x-ray-atom scattering, laser-assisted electron-ion recombination, and electron-atom scattering. We will present high-order strong-field approximation (SFA) and show how the quantum-orbit formalism follows from it. This will be done for various above-mentioned processes. For HHG a classification of quantum orbits will be given [10) and generalized to the presence of a static field. The low-energy part of the HHG spectra and the enhancement of HHG near the channel closings can be explained taking into account a large number of quantum orbits. For HATI we will concentrate on the case of few-cycle laser pulse. The influence of the carrier-envelope relative phase on the HATI spectrum can easily be explained in terms of quantum orbits. The SFA and the quantum-orbit results will be compared with the results obtained by Dieter Bauer using ab initio solutions of the time-dependent Schroedinger equation. It will be shown that the Coulomb effects are important for low-energy electron spectra. Refs. 11 (author)

  20. Diffusivities and atomic mobilities in disordered fcc and ordered L12 Ni–Al–W alloys

    International Nuclear Information System (INIS)

    Chen, Chong; Zhang, Lijun; Xin, Jinghua; Wang, Yaru; Du, Yong; Luo, Fenghua; Zhang, Zhongjian; Xu, Tao; Long, Jianzhan

    2015-01-01

    Highlights: • The atomic mobilities for fcc Al–W, fcc Ni–W, fcc Ni–Al–W and L1 2 Ni–Al–W alloys were critically assessed. • The impurity diffusivity of W in fcc-Al was obtained via first-principles calculations. • The calculated results agree well with the diffusivities available in the literature. • Two fcc/L1 2 -type diffusion couples were prepared and the concentration-distance profiles were measured. • The model-predicted concentration profiles agree well with the experimental data in the literature and in the present work. - Abstract: Based on various experimentally measured diffusivities available in the literature together with the reported thermodynamic parameters, the atomic mobilities for disordered fcc and ordered L1 2 Ni–Al–W alloys were assessed on the basis of a recently developed phenomenological model incorporated in the DICTRA software. In order to provide the missing impurity diffusion coefficients of W in fcc-Al, first-principles calculations were utilized in the present work. Comprehensive comparisons between the calculated and experimental diffusion coefficients show that all the experimental data can be well reproduced by the atomic mobilities obtained in the present work. In order to further verify the reliability of the presently obtained atomic mobilities, two fcc/L1 2 -type diffusion couples (i.e., Ni–5 at.% Al–5 at.% W/Ni–20 at.% Al–4 at.% W and Ni/Ni–22 at.% Al–2 at.% W) were prepared and the concentration-distance profiles after annealing at 1323 K for 86.4 ks were measured. The excellent agreement between the model-predicted concentration-distance profiles and the experimental data indicates that the presently obtained atomic mobilities in fcc/L1 2 Ni–Al–W alloys are reliable

  1. A survey of the Maralinga atomic weapons testing range for residual plutonium contamination

    International Nuclear Information System (INIS)

    Ellis, W.R.

    1979-06-01

    Residual plutonium levels in soil, flora, fauna and the air of the Maralinga (South Australia) Atomic Weapons Testing Range are presented and discussed. It is shown that only on rare occasions (and possibly never) would the plutonium concentration in air from wind resuspended dust exceed the maximum allowable concentration for continuous exposure of the general public. In the case of artificially resuspended dust, this maximum concentration could be exceeded for short periods, but the accompanying dust level would be such that working conditions would be uncomfortable, if not intolerable. Potential hazards from other possible exposure routes are so low that they are of no consequence

  2. Influence of short range chemical order on density of states in α-ZrNi

    International Nuclear Information System (INIS)

    Duarte Junior, J.

    1986-01-01

    Calculations of the density of electronic states for amorphous alloys of ZrNi and ZrCu with different chemical order degrees, in order to verify the effect of chemical ordering on this property, are presented. The results obtained for ZrCu shown that the density of states at Fermi level do not vary significantly with the ordering. The results for ZrNi shown that the introduction of short range chemical order can decrease significantly the density of states at Fermi level, leading to better agreement with experimental results. (M.C.K.) [pt

  3. Time ordering of two-step processes in energetic ion-atom collisions: Basic formalism

    International Nuclear Information System (INIS)

    Stolterfoht, N.

    1993-01-01

    The semiclassical approximation is applied in second order to describe time ordering of two-step processes in energetic ion-atom collisions. Emphasis is given to the conditions for interferences between first- and second-order terms. In systems with two active electrons, time ordering gives rise to a pair of associated paths involving a second-order process and its time-inverted process. Combining these paths within the independent-particle frozen orbital model, time ordering is lost. It is shown that the loss of time ordering modifies the second-order amplitude so that its ability to interfere with the first-order amplitude is essentially reduced. Time ordering and the capability for interference is regained, as one path is blocked by means of the Pauli exclusion principle. The time-ordering formalism is prepared for papers dealing with collision experiments of single excitation [Stolterfoht et al., following paper, Phys. Rev. A 48, 2986 (1993)] and double excitation [Stolterfoht et al. (unpublished)

  4. Intertwined and vestigial order with ultracold atoms in multiple cavity modes

    Science.gov (United States)

    Gopalakrishnan, Sarang; Shchadilova, Yulia E.; Demler, Eugene

    2017-12-01

    Atoms in transversely pumped optical cavities "self-organize" by forming a density wave and emitting superradiantly into the cavity mode(s). For a single-mode cavity, the properties of this self-organization transition are well characterized both theoretically and experimentally. Here, we explore the self-organization of a Bose-Einstein condensate in the presence of two cavity modes—a system that recently was realized experimentally [Léonard et al., Nature (London) 543, 87 (2017), 10.1038/nature21067]. We argue that this system can exhibit a "vestigially ordered" phase in which neither cavity mode exhibits superradiance but the cavity modes are mutually phase locked by the atoms. We argue that this vestigially ordered phase should generically be present in multimode cavity geometries.

  5. Linear-chain model to explain density of states and Tsub(c) changes with atomic ordering

    International Nuclear Information System (INIS)

    Junod, A.

    1978-01-01

    The effect of long-range atomic order on the electronic density of states has been recalculated for the A15-type structure within the linear-chain model. It is found that a defect concentration c reduces the density of states at the Fermi level by a factor (1 + c/c 0 )(c/c 0 ) -3 [ln(1 + c/c 0 )] 3 . This result is in qualitative agreement with experimental data on the specific heat, magnetic susceptibility and superconducting transition temperature of V 3 Au. (author)

  6. Order of current variance and diffusivity in the rate one totally asymmetric zero range process

    NARCIS (Netherlands)

    Balázs, M.; Komjáthy, J.

    2008-01-01

    We prove that the variance of the current across a characteristic is of order t 2/3 in a stationary constant rate totally asymmetric zero range process, and that the diffusivity has order t 1/3. This is a step towards proving universality of this scaling behavior in the class of one-dimensional

  7. Higher order Stark effect and transition probabilities on hyperfine structure components of hydrogen like atoms

    Energy Technology Data Exchange (ETDEWEB)

    Pal' chikov, V.G. [National Research Institute for Physical-Technical and Radiotechnical Measurements - VNIIFTRI (Russian Federation)], E-mail: vitpal@mail.ru

    2000-08-15

    A quantum-electrodynamical (QED) perturbation theory is developed for hydrogen and hydrogen-like atomic systems with interaction between bound electrons and radiative field being treated as the perturbation. The dependence of the perturbed energy of levels on hyperfine structure (hfs) effects and on the higher-order Stark effect is investigated. Numerical results have been obtained for the transition probability between the hfs components of hydrogen-like bismuth.

  8. 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

  9. The 120° Ordered Phase of Triangular Lattice Antiferromagnetic Heisenberg Model with Long Range Couplings

    International Nuclear Information System (INIS)

    Zhan-Hai, Dong

    2009-01-01

    In order to look for the 120° order phase of triangular lattice Heisenberg antiferromagnet with long range couplings, the Hamiltonian is diagonalized with the Bogoliubov transformation within linear spin-wave approximation. It is found that when the long range spin couplings are taken into account, the transformation is valid only for certain regions in the spin coupling parameter space. These regions just correspond to the 120° (or Néel) ordered phase, which is very different from square lattice in terms of shape, size and topological property

  10. Target recognition of ladar range images using even-order Zernike moments.

    Science.gov (United States)

    Liu, Zheng-Jun; Li, Qi; Xia, Zhi-Wei; Wang, Qi

    2012-11-01

    Ladar range images have attracted considerable attention in automatic target recognition fields. In this paper, Zernike moments (ZMs) are applied to classify the target of the range image from an arbitrary azimuth angle. However, ZMs suffer from high computational costs. To improve the performance of target recognition based on small samples, even-order ZMs with serial-parallel backpropagation neural networks (BPNNs) are applied to recognize the target of the range image. It is found that the rotation invariance and classified performance of the even-order ZMs are both better than for odd-order moments and for moments compressed by principal component analysis. The experimental results demonstrate that combining the even-order ZMs with serial-parallel BPNNs can significantly improve the recognition rate for small samples.

  11. The topological long range order in QCD. Applications to heavy ion collisions and cosmology

    Directory of Open Access Journals (Sweden)

    Zhitnitsky Ariel R.

    2015-01-01

    Full Text Available We argue that the local violation of P invariance in heavy ion collisions is a consequence of the long range topological order which is inherent feature of strongly coupled QCD. A similar phenomenon is known to occur in some topologically ordered condensed matter systems with a gap. We also discuss possible cosmological applications of this long range order in strongly coupled gauge theories. In particular, we argue that the de Sitter behaviour might be dynamically generated as a result of the long range order. In this framework the inflaton is an auxiliary field which effectively describes the dynamics of topological sectors in a gauge theory in the expanding universe, rather than a new dynamical degree of freedom.

  12. Magnetic susceptibility as a method of investigation of short-range order in strongly nonstoichiometric carbides

    International Nuclear Information System (INIS)

    Nazarova, S.Z.; Gusev, A.I.

    2001-01-01

    Magnetic susceptibility in disordered and ordered carbides of transition metals (M = Ti, Zr, Hf, Nb, Ta) was studied, the results are generalized. It was ascertained that the change in carbide susceptibility induced by deviation from stoichiometry stems from specific features of electronic spectra of the compounds. The use of magnetic susceptibility for determining structural disorder-order transitions is discussed. It is shown that change in the contribution made by orbital paramagnetism, resulting from short-range order formation, is the reason of decrease in susceptibility of nonstoichiometric carbides during the ordering. Experimentally obtained data on susceptibility permitted evaluating short- and far-range order parameters in NbC y , TaC y , TiC y and HfC y carbides [ru

  13. Long-range interactions between alkali and alkaline-earth atoms

    International Nuclear Information System (INIS)

    Jiang Jun; Cheng Yongjun; Mitroy, J

    2013-01-01

    Dispersion coefficients between the alkali metal atoms (Li–Rb) and alkaline-earth metal atoms (Be–Sr) are evaluated using matrix elements computed from frozen core configuration interaction calculations. Besides dispersion coefficients with both atoms in their respective ground states, dispersion coefficients are also given for the case where one atom is in its ground state and the other atom is in a low-lying excited state. (paper)

  14. Influence of atomic ordering on elastocaloric and magnetocaloric effects of a Ni–Cu–Mn–Ga ferromagnetic shape memory alloy

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Chonghui [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter and State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049 (China); Wang, Yu, E-mail: yuwang@mail.xjtu.edu.cn [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter and State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049 (China); Multi-disciplinary Materials Research Center, Frontier Institute of Science and Technology, Xi’an Jiaotong University, Xi’an 710049 (China); Tang, Zhao; Liao, Xiaoqi; Yang, Sen; Song, Xiaoping [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter and State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049 (China)

    2015-05-05

    Highlights: • Ni{sub 51}Cu{sub 4}Mn{sub 20}Ga{sub 25} alloy exhibits normal elastocaloric and magnetocaloric effects. • L2{sub 1} atomic order of the alloy is increased after annealing at 773 K for 10 h. • Increasing L2{sub 1} atomic order improves its elastocaloric and magnetocaloric effects. • Atomic ordering modifies the magnetic and martensitic transitions of the system. - Abstract: The coexisting elastocaloric and magnetocaloric effects in ferromagnetic shape memory alloys have attracted much attention for the potential application in solid state refrigeration. Previous studies show that the L2{sub 1} atomic ordering of Heusler ferromagnetic shape memory alloys plays important role on their magnetocaloric effect. However, no research work investigates the effect of atomic ordering on their elastocaloric effect yet. In this study, we investigated the influence of atomic ordering on the elastocaloric and magnetocaloric effects of a Ni{sub 51}Cu{sub 4}Mn{sub 20}Ga{sub 25} ferromagnetic shape memory alloy. The alloy exhibits normal elastocaloric effect and normal magnetocaloric effect near room temperature. Moreover, we found that the enhancement of atomic order in this alloy can greatly increase the entropy change and refrigeration capacity of its elastocaloric and magnetocaloric effects. This is attributed to that the atomic ordering modifies the magnetic and martensitic transitions of the system.

  15. Influence of atomic ordering on elastocaloric and magnetocaloric effects of a Ni–Cu–Mn–Ga ferromagnetic shape memory alloy

    International Nuclear Information System (INIS)

    Huang, Chonghui; Wang, Yu; Tang, Zhao; Liao, Xiaoqi; Yang, Sen; Song, Xiaoping

    2015-01-01

    Highlights: • Ni 51 Cu 4 Mn 20 Ga 25 alloy exhibits normal elastocaloric and magnetocaloric effects. • L2 1 atomic order of the alloy is increased after annealing at 773 K for 10 h. • Increasing L2 1 atomic order improves its elastocaloric and magnetocaloric effects. • Atomic ordering modifies the magnetic and martensitic transitions of the system. - Abstract: The coexisting elastocaloric and magnetocaloric effects in ferromagnetic shape memory alloys have attracted much attention for the potential application in solid state refrigeration. Previous studies show that the L2 1 atomic ordering of Heusler ferromagnetic shape memory alloys plays important role on their magnetocaloric effect. However, no research work investigates the effect of atomic ordering on their elastocaloric effect yet. In this study, we investigated the influence of atomic ordering on the elastocaloric and magnetocaloric effects of a Ni 51 Cu 4 Mn 20 Ga 25 ferromagnetic shape memory alloy. The alloy exhibits normal elastocaloric effect and normal magnetocaloric effect near room temperature. Moreover, we found that the enhancement of atomic order in this alloy can greatly increase the entropy change and refrigeration capacity of its elastocaloric and magnetocaloric effects. This is attributed to that the atomic ordering modifies the magnetic and martensitic transitions of the system

  16. Atom-vacancy ordering and magnetic susceptibility of nonstoichiometric hafnium carbide

    International Nuclear Information System (INIS)

    Gusev, A.I.; Zyryanova, A.N.

    1999-01-01

    Experimental results on magnetic susceptibility of nonstoichiometric hafnium carbide HfC y (0.6 0.71 , HfC 0.78 and HfC 0.83 in the range of 870-930 K the anomalies are revealed which are associated with superstructure short-range ordering in a non-metallics sublattice. It is shown that a short-range order in HfC 0.71 and HfC 0.78 carbides corresponds to Hf 3 C 2 ordered phase, and in HfC 0.83 carbide - to Hf 6 C 5 ordered phase. HfC 0.78 carbide is found to possesses zero magnetic susceptibility in temperature range 910-980 K [ru

  17. Quantifying the Hierarchical Order in Self-Aligned Carbon Nanotubes from Atomic to Micrometer Scale.

    Science.gov (United States)

    Meshot, Eric R; Zwissler, Darwin W; Bui, Ngoc; Kuykendall, Tevye R; Wang, Cheng; Hexemer, Alexander; Wu, Kuang Jen J; Fornasiero, Francesco

    2017-06-27

    Fundamental understanding of structure-property relationships in hierarchically organized nanostructures is crucial for the development of new functionality, yet quantifying structure across multiple length scales is challenging. In this work, we used nondestructive X-ray scattering to quantitatively map the multiscale structure of hierarchically self-organized carbon nanotube (CNT) "forests" across 4 orders of magnitude in length scale, from 2.0 Å to 1.5 μm. Fully resolved structural features include the graphitic honeycomb lattice and interlayer walls (atomic), CNT diameter (nano), as well as the greater CNT ensemble (meso) and large corrugations (micro). Correlating orientational order across hierarchical levels revealed a cascading decrease as we probed finer structural feature sizes with enhanced sensitivity to small-scale disorder. Furthermore, we established qualitative relationships for single-, few-, and multiwall CNT forest characteristics, showing that multiscale orientational order is directly correlated with number density spanning 10 9 -10 12 cm -2 , yet order is inversely proportional to CNT diameter, number of walls, and atomic defects. Lastly, we captured and quantified ultralow-q meridional scattering features and built a phenomenological model of the large-scale CNT forest morphology, which predicted and confirmed that these features arise due to microscale corrugations along the vertical forest direction. Providing detailed structural information at multiple length scales is important for design and synthesis of CNT materials as well as other hierarchically organized nanostructures.

  18. Chemical short range order and magnetic correction in liquid manganese–gallium zero alloy

    Energy Technology Data Exchange (ETDEWEB)

    Grosdidier, B. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France); Ben Abdellah, A. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France); Innovation and Management of Industrial Systems, Abdelmalek Essaadi University, College of Sciences and Techniques of Tangier , P.O. Box 416, Postal code 90000, Tangier (Morocco); Université Internationale de Rabat, Parc Technopolis Rabat-Shore, 11100 Sala El Jadida (Morocco); Osman, S.M., E-mail: osm@squ.edu.om [Physics Department, College of Science, Sultan Qaboos University, P.O. Box 36, Postal Code 123, Al-Khod, Muscat (Oman); Ataati, J. [Innovation and Management of Industrial Systems, Abdelmalek Essaadi University, College of Sciences and Techniques of Tangier, P.O. Box 416, Postal code 90000, Tangier (Morocco); Gasser, J.G. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France)

    2015-12-15

    The Mn{sub 66}Ga{sub 34} alloy at this particular composition is known to be zero alloy in which the linear combination of the two neutron scattering lengths weighted by the atomic compositions vanish. Thus for this specific concentration, the effect of the partial structure factors S{sub NN} and S{sub NC} is cancelled by a weighted term, which value is zero. Then the measured total structure factor S(q) gives directly the concentration–concentration structure factor S{sub CC}(q). We present here the first experimental results of neutron diffraction on the Mn{sub 66}Ga{sub 34} “null matrix alloy” at 1050 °C. The main peak of the experimental S{sub CC}(q) gives a strong evidence of a hetero-atomic chemical order in this coordinated alloy. This order also appears in real space radial distribution function which is calculated by the Fourier transform of the structure factor. The degree of hetero-coordination is discussed together with other manganese-polyvalent alloys. However manganese also shows abnormal magnetic scattering in the alloy structure factor which must be corrected. This correction gives an experimental information on the mean effective spin of manganese in this liquid alloy. We present the first critical theoretical calculations of the magnetic correction factor in Mn–Ga zero-alloy based on our accurate experimental measurements of S{sub CC}(q).

  19. BeP2: a tetrahedral structure of type order-disorder which obeys a coordination rule for short-range order

    International Nuclear Information System (INIS)

    L'Haridon, P.; David, J.; Lang, J.; Parthe, E.

    1976-01-01

    Single-crystal studies on BeP 2 indicate that this compound possesses an OD structure. The substructure has a tetragonal unit cell with: a = 3.546 A, c = 15.01 A, Z = 4, space group: I4 1 /amd. The final R factor has a value of 0.033. The atom sites in this substructure correspond to the sites of diamond if the latter is described with a tetragonal cell, where a = (2/sup 1/2//a/sub diamond/ and c = 3a/sub diamond/. A short-range order governs the occupation of these sites with Be and P atoms. Each Be has four tetrahedral P neighbors and every P has two Be and two P neighbors. Consideration of the maxima on the diffuse streaks between the sharp reflectins of the substructure leads to an intermediate unit cell with a = 7.09 A and c = 30.02 A. Coordination considerations allow a structure proposal to be formulated for this intermediate structure which is triclinic but pseudotetragonal. The true unit cell is also pseudotetragonal with a = 7.09 A and c = N . 15.01 A, where N is a large integer

  20. Multi-actuation and PI control: A simple recipe for high-speed and large-range atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Soltani Bozchalooi, I., E-mail: isoltani@mit.edu; Youcef-Toumi, K.

    2014-11-15

    High speed atomic force microscopy enables observation of dynamic nano-scale processes. However, maintaining a minimal interaction force between the sample and the probe is challenging at high speed specially when using conventional piezo-tubes. While rigid AFM scanners are operational at high speeds with the drawback of reduced tracking range, multi-actuation schemes have shown potential for high-speed and large-range imaging. Here we present a method to seamlessly incorporate additional actuators into conventional AFMs. The equivalent behavior of the resulting multi-actuated setup resembles that of a single high-speed and large-range actuator with maximally flat frequency response. To achieve this, the dynamics of the individual actuators and their couplings are treated through a simple control scheme. Upon the implementation of the proposed technique, commonly used PI controllers are able to meet the requirements of high-speed imaging. This forms an ideal platform for retroactive enhancement of existing AFMs with minimal cost and without compromise on the tracking range. A conventional AFM with tube scanner is retroactively enhanced through the proposed method and shows an order of magnitude improvement in closed loop bandwidth performance while maintaining large range. The effectiveness of the method is demonstrated on various types of samples imaged in contact and tapping modes, in air and in liquid. - Highlights: • We present a novel method to incorporate extra actuators into conventional AFMs. • A maximally flat frequency response is achieved for the out of plane piezo-motion. • Commonly used PI or PID control is enabled to handle high speed AFM imaging. • An order of magnitude improvement in closed loop bandwidth performance is obtained. • High speed imaging is achieved on a large range piezo-tube.

  1. Multi-actuation and PI control: A simple recipe for high-speed and large-range atomic force microscopy

    International Nuclear Information System (INIS)

    Soltani Bozchalooi, I.; Youcef-Toumi, K.

    2014-01-01

    High speed atomic force microscopy enables observation of dynamic nano-scale processes. However, maintaining a minimal interaction force between the sample and the probe is challenging at high speed specially when using conventional piezo-tubes. While rigid AFM scanners are operational at high speeds with the drawback of reduced tracking range, multi-actuation schemes have shown potential for high-speed and large-range imaging. Here we present a method to seamlessly incorporate additional actuators into conventional AFMs. The equivalent behavior of the resulting multi-actuated setup resembles that of a single high-speed and large-range actuator with maximally flat frequency response. To achieve this, the dynamics of the individual actuators and their couplings are treated through a simple control scheme. Upon the implementation of the proposed technique, commonly used PI controllers are able to meet the requirements of high-speed imaging. This forms an ideal platform for retroactive enhancement of existing AFMs with minimal cost and without compromise on the tracking range. A conventional AFM with tube scanner is retroactively enhanced through the proposed method and shows an order of magnitude improvement in closed loop bandwidth performance while maintaining large range. The effectiveness of the method is demonstrated on various types of samples imaged in contact and tapping modes, in air and in liquid. - Highlights: • We present a novel method to incorporate extra actuators into conventional AFMs. • A maximally flat frequency response is achieved for the out of plane piezo-motion. • Commonly used PI or PID control is enabled to handle high speed AFM imaging. • An order of magnitude improvement in closed loop bandwidth performance is obtained. • High speed imaging is achieved on a large range piezo-tube

  2. 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.

  3. Phase decomposition and ordering in Ni-11.3 at.% Ti studied with atom probe tomography

    KAUST Repository

    Al-Kassab, Talaat

    2014-09-01

    The decomposition behavior of Ni-rich Ni-Ti was reassessed using Tomographic Atom Probe (TAP) and Laser Assisted Wide Angle Tomographic Atom Probe. Single crystalline specimens of Ni-11.3at.% Ti were investigated, the states selected from the decomposition path were the metastable γ″ and γ\\' states introduced on the basis of small-angle neutron scattering (SANS) and the two-phase model for evaluation. The composition values of the precipitates in these states could not be confirmed by APT data as the interface of the ordered precipitates may not be neglected. The present results rather suggest to apply a three-phase model for the interpretation of SANS measurements, in which the width of the interface remains nearly unchanged and the L12 structure close to 3:1 stoichiometry is maintained in the core of the precipitates from the γ″ to the γ\\' state. © 2014 Elsevier Ltd.

  4. Higher order structure of short immunostimulatory oligonucleotides studied by atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Dionne C.G., E-mail: dionne.c.g.klein@ntnu.no [Department of Physics, Norwegian University of Science and Technology, N-7491, Trondheim (Norway); Department of Cancer Research and Molecular Medicine, Norwegian University of Science and Technology, N-7489, Trondheim (Norway); Latz, Eicke [Department of Cancer Research and Molecular Medicine, Norwegian University of Science and Technology, N-7489, Trondheim (Norway); Division of Infectious Diseases and Immunology, University of Massachusetts Medical School, 364 Plantation Street, Worcester, MA 01605 (United States); Institute of Innate Immunity, University Hospitals, University of Bonn, Sigmund-Freud-Str. 25, 53127 Bonn (Germany); Espevik, Terje [Department of Cancer Research and Molecular Medicine, Norwegian University of Science and Technology, N-7489, Trondheim (Norway); Stokke, Bjorn T. [Department of Physics, Norwegian University of Science and Technology, N-7491, Trondheim (Norway)

    2010-05-15

    Immunostimulatory CpG-DNA activates the innate immune system by binding to Toll-like receptor 9. Structurally different CpG-containing oligonucleotides trigger a different type of immune response while activating the same receptor. We therefore investigated the higher order structure of two different classes of immunostimulatory CpG-DNA. Class A, which contains a partly self-complementary sequence and poly-G ends, forms duplexes and nanoparticles in salt solution, while class B, which does not contain these features and is purely linear, does not form a duplex or nanoparticles. Results obtained here by high-resolution atomic force microscopy of classes A and B CpG-DNA, reflect these differences in secondary structure. Detailed structural analysis of the atomic force microscopy topographs is presented for two different sample preparation methods.

  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. Higher order structure of short immunostimulatory oligonucleotides studied by atomic force microscopy

    International Nuclear Information System (INIS)

    Klein, Dionne C.G.; Latz, Eicke; Espevik, Terje; Stokke, Bjorn T.

    2010-01-01

    Immunostimulatory CpG-DNA activates the innate immune system by binding to Toll-like receptor 9. Structurally different CpG-containing oligonucleotides trigger a different type of immune response while activating the same receptor. We therefore investigated the higher order structure of two different classes of immunostimulatory CpG-DNA. Class A, which contains a partly self-complementary sequence and poly-G ends, forms duplexes and nanoparticles in salt solution, while class B, which does not contain these features and is purely linear, does not form a duplex or nanoparticles. Results obtained here by high-resolution atomic force microscopy of classes A and B CpG-DNA, reflect these differences in secondary structure. Detailed structural analysis of the atomic force microscopy topographs is presented for two different sample preparation methods.

  7. Magnetic quasi-long-range ordering in nematic systems due to competition between higher-order couplings

    Science.gov (United States)

    Žukovič, Milan; Kalagov, Georgii

    2018-05-01

    Critical properties of the two-dimensional X Y model involving solely nematic-like terms of the second and third orders are investigated by spin-wave analysis and Monte Carlo simulation. It is found that, even though neither of the nematic-like terms alone can induce magnetic ordering, their coexistence and competition leads to an extended phase of the magnetic quasi-long-range-order phase, wedged between the two nematic-like phases induced by the respective couplings. Thus, except for the multicritical point, at which all the phases meet, for any finite value of the coupling parameters ratio there are two phase transition: one from the paramagnetic phase to one of the two nematic-like phases followed by another one at lower temperatures to the magnetic phase. The finite-size scaling analysis indicates that the phase transitions between the magnetic and nematic-like phases belong to the Ising and three-state Potts universality classes. Inside the competition-induced algebraic magnetic phase, the spin-pair correlation function is found to decay even much more slowly than in the standard X Y model with purely magnetic interactions. Such a magnetic phase is characterized by an extremely low vortex-antivortex pair density attaining a minimum close to the point at which the two couplings are of about equal strength.

  8. Double scattering of light from Biophotonic Nanostructures with short-range order

    Energy Technology Data Exchange (ETDEWEB)

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O.; Mochrie, Simon G.J.; Dufresne, Eric R.; Cao, Hui (Yale)

    2010-07-28

    We investigate the physical mechanism for color production by isotropic nanostructures with short-range order in bird feather barbs. While the primary peak in optical scattering spectra results from constructive interference of singly-scattered light, many species exhibit secondary peaks with distinct characteristic. Our experimental and numerical studies show that these secondary peaks result from double scattering of light by the correlated structures. Without an analog in periodic or random structures, such a phenomenon is unique for short-range ordered structures, and has been widely used by nature for non-iridescent structural coloration.

  9. Reduced order dynamic model for polysaccharides molecule attached to an atomic force microscope

    International Nuclear Information System (INIS)

    Tang Deman; Li Aiqin; Attar, Peter; Dowell, Earl H.

    2004-01-01

    A dynamic analysis and numerical simulation has been conducted of a polysaccharides molecular structure (a ten (10) single-α-D-glucose molecule chain) connected to a moving atomic force microscope (AFM). Sinusoidal base excitation of the AFM cantilevered beam is considered. First a linearized perturbation model is constructed for the complex polysaccharides molecular structure. Then reduced order (dynamic) models based upon a proper orthogonal decomposition (POD) technique are constructed using global modes for both the linearized perturbation model and for the full nonlinear model. The agreement between the original and reduced order models (ROM/POD) is very good even when only a few global modes are included in the ROM for either the linear case or for the nonlinear case. The computational advantage of the reduced order model is clear from the results presented

  10. Determination of thermodynamical coefficients for Mo-W alloys according to short-range order parameters

    International Nuclear Information System (INIS)

    Erokhin, L.N.; Mokrov, A.P.; Shivrin, O.N.; Khanina, N.I.

    1986-01-01

    A method is proposed for determining thermodynamical coefficients according to short-range order parameters. The method approbation for Mo-W alloys has shown a good agreement between the thermodynamical and diffusion data. The Mo-W system in the concentration range under study is close to the ideal one. The calculated relative error of determination of interdiffusion coefficients in alloys of the Mo-W system does not exceed 16%

  11. Unique atom hyper-kagome order in Na4Ir3O8 and in low-symmetry spinel modifications.

    Science.gov (United States)

    Talanov, V M; Shirokov, V B; Talanov, M V

    2015-05-01

    Group-theoretical and thermodynamic methods of the Landau theory of phase transitions are used to investigate the hyper-kagome atomic order in structures of ordered spinels and a spinel-like Na4Ir3O8 crystal. The formation of an atom hyper-kagome sublattice in Na4Ir3O8 is described theoretically on the basis of the archetype (hypothetical parent structure/phase) concept. The archetype structure of Na4Ir3O8 has a spinel-like structure (space group Fd\\bar 3m) and composition [Na1/2Ir3/2](16d)[Na3/2](16c)O(32e)4. The critical order parameter which induces hypothetical phase transition has been stated. It is shown that the derived structure of Na4Ir3O8 is formed as a result of the displacements of Na, Ir and O atoms, and ordering of Na, Ir and O atoms, ordering dxy, dxz, dyz orbitals as well. Ordering of all atoms takes place according to the type 1:3. Ir and Na atoms form an intriguing atom order: a network of corner-shared Ir triangles called a hyper-kagome lattice. The Ir atoms form nanoclusters which are named decagons. The existence of hyper-kagome lattices in six types of ordered spinel structures is predicted theoretically. The structure mechanisms of the formation of the predicted hyper-kagome atom order in some ordered spinel phases are established. For a number of cases typical diagrams of possible crystal phase states are built in the framework of the Landau theory of phase transitions. Thermodynamical conditions of hyper-kagome order formation are discussed by means of these diagrams. The proposed theory is in accordance with experimental data.

  12. Long-range ordering of III-V semiconductor nanostructures by shallowly buried dislocation networks

    International Nuclear Information System (INIS)

    Coelho, J; Patriarche, G; Glas, F; Saint-Girons, G; Sagnes, I

    2004-01-01

    We account for lateral orderings of III-V nanostructures resulting from a GaAs/InAs/InGaAs/GaAs sequence grown on GaAs by metallorganic vapour phase epitaxy at two different temperatures. For both samples, the ordering is induced by the stress field of a periodic dislocation network (DN) shallowly buried and parallel to the surface. This DN is a grain boundary (GB) that forms, between a thin GaAs layer (on which growth was performed) and a GaAs substrate joined together by wafer bonding, in order to accommodate a tilt and a twist between these two crystals; both these misorientations are imposed in a controlled manner. This GB is composed of a one-dimensional network of mixed dislocations and of a one-dimensional network of screw dislocations. For both samples, the nanostructures observed by transmission electron microscopy (TEM) and atomic force microscopy are ordered by the underlying DN observed by TEM since they have same dimensions and orientations as the cells of the DN

  13. Medium-range order of magnetic amorphous alloys containing rare earth metals

    International Nuclear Information System (INIS)

    Boucher, B.

    1989-01-01

    The influence of nuclear order and surface layers on the magnetic order and the existence of two characteristic lengths (ξ=2π/k∼10 3 A or 10 A) have been established. The principal conclusions of theorists: concerning the abscence of infinite ferromagnetic clusters and the correlated spin glass or ferromagnet with wandering axis models are verified. The published results seem to indicate the existence of a critical temperature. The role of 3d ions in the magnetic ordering has not been extensively studied; it seems that the presence of 3d ions leads smaller correlation lengths. The Lorentzian scattering term correspond not only to spin waves but also to a static order. The origin of the L 3/2 scattering term observed in severals cases is discussed. It would be very useful to carry out measurements at lower q values so as to obtain more detailed informations concerning the nuclear or magnetic medium range order

  14. Interlayer exchange coupling in Er|Tb superlattices mediated by short range incommensurate Er order

    International Nuclear Information System (INIS)

    Pfuhl, E; Brueckel, T; Voigt, J; Mattauch, S; Korolkov, D

    2010-01-01

    We study the magnetic correlations in Er|Tb superlattices by means of off-specular scattering of polarized neutrons. We show here the co-existence of inhomogeneous magnetic states: i) ferromagnetic order of moments within the Tb layers below 230 K (FM), correlation length of about 10 bilayer, ii) an incommensurate modulated magnetic order, restricted to single Er layers and iii) antiferromagnetic coupling of ferromagnetic layers below 70K (AFC). Polarised off-specular neutron scattering under grazing incidence reveals that i) magnetic fluctuations appear when the sample is cooled below 70 K, ii) these fluctuations lead to AFC, when the sample is cooled to 10 K, which iii) persists, when the sample is subsequently heated up to 45 K, while the order is not present during the cooling cycle. Also the short range incommensurate order changes accordingly, implying that the magnetic order in the Er layers mediates the interlayer coupling between ferromagnetic Tb layers.

  15. Higher-order processes in x-ray photoionization of atoms

    International Nuclear Information System (INIS)

    Kanter, E. P.; Dunford, R. W.; Krassig, B.; Southworth, S. H.; Young, L.

    2006-01-01

    There are several fourth-generation X-ray light source projects now underway around the world and it is anticipated that by the end of the decade, one or more of these X-ray free-electron lasers will be operational. In this contribution, we describe recent measurements and future plans to study both multielectron and multiphoton atomic photoionization. Although such higher-order processes are rare with present third-generation sources, they will be commonplace in experimental work with the new sources. The topics we discuss here are double K-shell ionization and two-photon X-ray photoionization

  16. Dynamic and structural studies of molecular or atomic systems through the generation of high order harmonics

    International Nuclear Information System (INIS)

    Higuet, J.

    2010-10-01

    High harmonic generation is a well known phenomenon explained by a three step model: because of the high intensity field generated by an ultrashort laser pulse, an atom or a molecule can be tunnel ionized. The ejected electron is then accelerated by the intense electric field, and eventually can recombine on its parent ion, leading to the emission of a XUV photon. Because of the generating process in itself, this light source is a promising candidate to probe the electronic structure of atoms and molecules, with an atto-second/sub-nanometer potential resolution (1 as=10 -18 s). In this work, we have studied the sensitivity of the emitted light (in terms of amplitude, but also phase and polarization) towards the electronic structure of the generating medium. We have first worked on atomic medium, then on molecules (N 2 , CO 2 , O 2 ). Comparing the experimental results with numerical simulations shows the necessity to model finely the generation process and to go beyond commonly used approximations. We have also shown the possibility to perform high harmonic spectroscopy in order to measure dynamics of complex molecules, such as Nitrogen Dioxide (NO 2 ). This technic has obtained complementary results compared to classical spectroscopy and has revealed dynamics of the electronic wave packet along a conical intersection. In this experiment, we have adapted conventional optical spectroscopy technic to the XUV spectral area, which significantly improved the signal over noise ratio. (author)

  17. Neutron diffraction study on the medium and short-range order of ternary chalcogenide glasses

    Czech Academy of Sciences Publication Activity Database

    Neov, S.; Gerasimova, I.; Skordeva, E.; Arsova, D.; Pamukchieva, V.; Mikula, Pavol; Lukáš, Petr; Sonntag, R.

    1999-01-01

    Roč. 34, - (1999), s. 3669-3676 ISSN 0022-2461 R&D Projects: GA ČR GV202/97/K038 Keywords : neutron diffraction * short-range order * chalcogenide glasses Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.786, year: 1999

  18. EXAFS, Determination of Short Range Order and Local Structures in Materials

    NARCIS (Netherlands)

    Koningsberger, D.C.; Prins, R.

    1981-01-01

    Extended X-ray Absorption Fine Structure (EXAFS) is a powerful method of determining short range order and local structures in materials using X-ray photons produced by a synchrotron light source, or in-house by a high intensity rotating anode X-ray generator. The technique has provided valuable

  19. Anomalous X-ray scattering studies of short-, intermediate- and extended-range order in glasses

    International Nuclear Information System (INIS)

    Price, D.L.; Saboungi, M.L.; Armand, P.; Cox, D.E.

    1998-01-01

    The authors present the formalism of anomalous x-ray scattering as applied to partial structure analysis of disordered materials, and give an example of how the technique has been applied, together with that of neutron diffraction, to investigate short-, intermediate- and extended-range order in vitreous germania and rubidium germanate

  20. How to measure atomic diffusion processes in the sub-nanometer range

    International Nuclear Information System (INIS)

    Schmidt, H.; Gupta, M.; Gutberlet, T.; Stahn, J.; Bruns, M.

    2008-01-01

    Self-diffusion of the atomic constituents in the solid state is a fundamental transport process that controls various materials properties. With established methods of diffusivity determination it is only possible to measure diffusion processes on a length scale down to 10 nm at corresponding diffusivities of 10 -23 m 2 s -1 . However, for complex materials like amorphous or nano-structured solids the given values are often not sufficient for a proper characterization. Consequently, it is necessary to detect diffusion length well below 1 nm. Here, we present the method of neutron reflectometry on isotope multilayers. For two model systems, an amorphous semiconductor and an amorphous metallic alloy, the efficiency of this method is demonstrated to detect minimum diffusion lengths of only 0.6-0.7 nm. It is further shown that diffusivities can be derived which are more than two orders of magnitude lower than those obtainable with conventional methods. Prospects of this method in order to solve actual kinetic problems in materials science are given

  1. Beating Homogeneous Nucleation and Tuning Atomic Ordering in Glass-Forming Metals by Nanocalorimetry.

    Science.gov (United States)

    Zhao, Bingge; Yang, Bin; Abyzov, Alexander S; Schmelzer, Jürn W P; Rodríguez-Viejo, Javier; Zhai, Qijie; Schick, Christoph; Gao, Yulai

    2017-12-13

    In this paper, the amorphous Ce 68 Al 10 Cu 20 Co 2 (atom %) alloy was in situ prepared by nanocalorimetry. The high cooling and heating rates accessible with this technique facilitate the suppression of crystallization on cooling and the identification of homogeneous nucleation. Different from the generally accepted notion that metallic glasses form just by avoiding crystallization, the role of nucleation and growth in the crystallization behavior of amorphous alloys is specified, allowing an access to the ideal metallic glass free of nuclei. Local atomic configurations are fundamentally significant to unravel the glass forming ability (GFA) and phase transitions in metallic glasses. For this reason, isothermal annealing near T g from 0.001 s to 25,000 s following quenching becomes the strategy to tune local atomic configurations and facilitate an amorphous alloy, a mixed glassy-nanocrystalline state, and a crystalline sample successively. On the basis of the evolution of crystallization enthalpy and overall latent heat on reheating, we quantify the underlying mechanism for the isothermal nucleation and crystallization of amorphous alloys. With Johnson-Mehl-Avrami method, it is demonstrated that the coexistence of homogeneous and heterogeneous nucleation contributes to the isothermal crystallization of glass. Heterogeneous rather than homogeneous nucleation dominates the isothermal crystallization of the undercooled liquid. For the mixed glassy-nanocrystalline structure, an extraordinary kinetic stability of the residual glass is validated, which is ascribed to the denser packed interface between amorphous phase and ordered nanocrystals. Tailoring the amorphous structure by nanocalorimetry permits new insights into unraveling GFA and the mechanism that correlates local atomic configurations and phase transitions in metallic glasses.

  2. Magnetic anisotropy and chemical long-range order in epitaxial ferrimagnetic CrPt sub 3 films

    CERN Document Server

    Maret, M; Köhler, J; Poinsot, R; Ulhaq-Bouillet, C; Tonnerre, J M; Berar, J F; Bucher, E

    2000-01-01

    Thin films of CrPt sub 3 were prepared by molecular beam epitaxy on both Al sub 2 O sub 3 (0 0 0 1) and MgO(0 0 1) substrates, either directly by co-deposition of Cr and Pt at high temperatures or after in situ annealing of superlattices [Cr(2 A)/Pt(7 A)]. In situ RHEED observations and X-ray diffraction measurements have allowed us to check the single-crystal quality of CrPt sub 3 films and to determine the degree of L1 sub 2 -type long-range order (LRO). In films co-deposited between 850 deg. C and 950 deg. C a nearly perfect LRO has been observed. As in bulk alloys, such ordering yields a ferrimagnetic order, while the disordered films are non-magnetic. In contrast with the ferromagnetic L1 sub 2 -type ordered CoPt sub 3 (1 1 1) films, the ferrimagnetic CrPt sub 3 (1 1 1) films exhibit perpendicular magnetic anisotropy with quality factors, K sub u /K sub d , as large as 5 and large coercivities around 450 kA/m. Such anisotropy could be related to the arrangement of Cr atoms, which owing to their large mag...

  3. Short-range order in alloys of nickel with the elements of group VIII of the periodic table

    International Nuclear Information System (INIS)

    Khwaja, F.A.

    1981-08-01

    Experimental measurements of the diffuse X-ray scattering intensity were performed on alloys of Ni with Rh and Os. The atomic short-range order (SRO) parameters αsub(i) and the size-effect parameters βsub(i) were calculated from these measurements. It is established that SRO and size-effect exist in Ni-Rh and Ni-Os alloys analogously as in a few other alloys of Ni with the elements of group VIII of the periodic table. The experimental data was interpreted theoretically by calculating the interaction energies from the pseudo-potentials and the effective valencies of the individual components of the systems studied. It was found that theoretically calculated values of the interaction energies for these alloys are inconsistent with the experimentally determined sign of the SRO parameter. (author)

  4. Higher-order Cn dispersion coefficients for the alkali-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2005-01-01

    The van der Waals coefficients, from C 11 through to C 16 resulting from second-, third-, and fourth-order perturbation theory are estimated for the alkali-metal (Li, Na, K, and Rb) atoms. The dispersion coefficients are also computed for all possible combinations of the alkali-metal atoms and hydrogen. The parameters are determined from sum rules after diagonalizing a semiempirical fixed core Hamiltonian in a large basis. Comparisons of the radial dependence of the C n /r n potentials give guidance as to the radial regions in which the various higher-order terms can be neglected. It is seen that including terms up to C 10 /r 10 results in a dispersion interaction that is accurate to better than 1% whenever the inter-nuclear spacing is larger than 20a 0 . This level of accuracy is mainly achieved due to the fortuitous cancellation between the repulsive (C 11 ,C 13 ,C 15 ) and attractive (C 12 ,C 14 ,C 16 ) dispersion forces

  5. Surface and finite size effect on fluctuations dynamics in nanoparticles with long-range order

    Science.gov (United States)

    Morozovska, A. N.; Eliseev, E. A.

    2010-02-01

    The influence of surface and finite size on the dynamics of the order parameter fluctuations and critical phenomena in the three-dimensional (3D)-confined systems with long-range order was not considered theoretically. In this paper, we study the influence of surface and finite size on the dynamics of the order parameter fluctuations in the particles of arbitrary shape. We consider concrete examples of the spherical and cylindrical ferroic nanoparticles within Landau-Ginzburg-Devonshire phenomenological approach. Allowing for the strong surface energy contribution in micro and nanoparticles, the analytical expressions derived for the Ornstein-Zernike correlator of the long-range order parameter spatial-temporal fluctuations, dynamic generalized susceptibility, relaxation times, and correlation radii discrete spectra are different from those known for bulk systems. Obtained analytical expressions for the correlation function of the order parameter spatial-temporal fluctuations in micro and nanosized systems can be useful for the quantitative analysis of the dynamical structural factors determined from magnetic resonance diffraction and scattering spectra. Besides the practical importance of the correlation function for the analysis of the experimental data, derived expressions for the fluctuations strength determine the fundamental limits of phenomenological theories applicability for 3D-confined systems.

  6. Polariton Chimeras: Bose-Einstein Condensates with Intrinsic Chaoticity and Spontaneous Long-Range Ordering

    Science.gov (United States)

    Gavrilov, S. S.

    2018-01-01

    The system of cavity polaritons driven by a plane electromagnetic wave is found to undergo the spontaneous breaking of spatial symmetry, which results in a lifted phase locking with respect to the driving field and, consequently, in the possibility of internal ordering. In particular, periodic spin and intensity patterns arise in polariton wires; they exhibit strong long-range order and can serve as media for signal transmission. Such patterns have the properties of dynamical chimeras: they are formed spontaneously in perfectly homogeneous media and can be partially chaotic. The reported new mechanism of chimera formation requires neither time-delayed feedback loops nor nonlocal interactions.

  7. Neutron diffraction study of the magnetic long-range order in Tb

    DEFF Research Database (Denmark)

    Dietrich, O.W.; Als-Nielsen, Jens Aage

    1967-01-01

    Like other heavy rare-earth metals, Tb exhibits a magnetic phase with a spiral structure. This appears within the temperature region from 216 to 226deg K between the ferromagnetic phase and the paramagnetic phase. The transition between ferromagnetic and spiral structure is of first order and imp...... at 216deg K to 20.7deg at 226deg K. The temperature variation of the transverse magnetostriction has also been measured and was found to vary approximately in proportion to the square of the magnetic long-range order....

  8. Zeroth-order exchange energy as a criterion for optimized atomic basis sets in interatomic force calculations

    International Nuclear Information System (INIS)

    Varandas, A.J.C.

    1980-01-01

    A suggestion is made for using the zeroth-order exchange term, at the one-exchange level, in the perturbation development of the interaction energy as a criterion for optmizing the atomic basis sets in interatomic force calculations. The approach is illustrated for the case of two helium atoms. (orig.)

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

    NARCIS (Netherlands)

    Helmich-Paris, B.; Knecht, Stefan

    2017-01-01

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

  10. High-order harmonics measured by the photon statistics of the infrared driving-field exiting the atomic medium.

    Science.gov (United States)

    Tsatrafyllis, N; Kominis, I K; Gonoskov, I A; Tzallas, P

    2017-04-27

    High-order harmonics in the extreme-ultraviolet spectral range, resulting from the strong-field laser-atom interaction, have been used in a broad range of fascinating applications in all states of matter. In the majority of these studies the harmonic generation process is described using semi-classical theories which treat the electromagnetic field of the driving laser pulse classically without taking into account its quantum nature. In addition, for the measurement of the generated harmonics, all the experiments require diagnostics in the extreme-ultraviolet spectral region. Here by treating the driving laser field quantum mechanically we reveal the quantum-optical nature of the high-order harmonic generation process by measuring the photon number distribution of the infrared light exiting the harmonic generation medium. It is found that the high-order harmonics are imprinted in the photon number distribution of the infrared light and can be recorded without the need of a spectrometer in the extreme-ultraviolet.

  11. Transitions from order to disorder in multiple dark and multiple dark-bright soliton atomic clouds

    International Nuclear Information System (INIS)

    Wang, Wenlong; Kevrekidis, P. G.

    2015-01-01

    We have performed a systematic study quantifying the variation of solitary wave behavior from that of an ordered cloud resembling a 'crystalline' configuration to that of a disordered state that can be characterized as a soliton 'gas'. As our illustrative examples, we use both one-component, as well as two-component, one-dimensional atomic gases very close to zero temperature, where in the presence of repulsive interatomic interactions and of a parabolic trap, a cloud of dark (dark-bright) solitons can form in the one- (two-) component system. We corroborate our findings through three distinct types of approaches, namely a Gross-Pitaevskii type of partial differential equation, particle-based ordinary differential equations describing the soliton dynamical system, and Monte Carlo simulations for the particle system. In addition, we define an 'empirical' order parameter to characterize the order of the soliton lattices and study how this changes as a function of the strength of the 'thermally' (i.e., kinetically) induced perturbations. As may be anticipated by the one-dimensional nature of our system, the transition from order to disorder is gradual without, apparently, a genuine phase transition ensuing in the intermediate regime

  12. Self-organized molecular films with long-range quasiperiodic order.

    Science.gov (United States)

    Fournée, Vincent; Gaudry, Émilie; Ledieu, Julian; de Weerd, Marie-Cécile; Wu, Dongmei; Lograsso, Thomas

    2014-04-22

    Self-organized molecular films with long-range quasiperiodic order have been grown by using the complex potential energy landscape of quasicrystalline surfaces as templates. The long-range order arises from a specific subset of quasilattice sites acting as preferred adsorption sites for the molecules, thus enforcing a quasiperiodic structure in the film. These adsorption sites exhibit a local 5-fold symmetry resulting from the cut by the surface plane through the cluster units identified in the bulk solid. Symmetry matching between the C60 fullerene and the substrate leads to a preferred adsorption configuration of the molecules with a pentagonal face down, a feature unique to quasicrystalline surfaces, enabling efficient chemical bonding at the molecule-substrate interface. This finding offers opportunities to investigate the physical properties of model 2D quasiperiodic systems, as the molecules can be functionalized to yield architectures with tailor-made properties.

  13. Optimisation of mass ranging for atom probe microanalysis and application to the corrosion processes in Zr alloys

    International Nuclear Information System (INIS)

    Hudson, D.; Smith, G.D.W.; Gault, B.

    2011-01-01

    Atom probe tomography uses time-of-flight mass spectrometry to identify the chemical nature of atoms from their mass-to-charge-state ratios. Within a mass spectrum, ranges are defined so as to attribute a chemical identity to each peak. The accuracy of atom probe microanalysis relies on the definition of these ranges. Here we propose and compare several automated ranging techniques, tested against simulated mass spectra. The performance of these metrics compare favourably with a trial of users asked to manually range a simplified simulated dataset. The optimised automated ranging procedure was then used to precisely evaluate the very low iron concentration (0.003-0.018 at%) in a zirconium alloy to reveal its behaviour in the matrix during corrosion; oxygen is injected into solution and has the effect of increasing the local iron concentration near the oxide-metal interface, which in turn affects the corrosion properties of the metal substrate. -- Research Highlights: → Realistic simulated mass spectra were generated so as to reproduce experimental data with a perfectly determined composition. → Several metrics were tested against these simulated mass spectra to determine an optimal methodology for ranging mass peaks in atom probe tomography. Systematic automated ranging provides a significant reduction in the deviation between true and measured concentrations compared to manual ranging by multiple users on the same data. → Experimental datasets were subsequently investigated, and Fe has been shown to be distributed as a random solid solution within the matrix of 'as-received' recrystallised ZIRLO, a zirconium alloy.

  14. Long range ordered alloys modified by addition of niobium and cerium

    International Nuclear Information System (INIS)

    Liu, C.T.

    1987-01-01

    A long range ordered alloy composition is described consisting essentially of iron, nickel, cobalt, vanadium and a ductility enhancing metal, having the nominal composition (Fe, Ni,Co)/sub 3/(V,M) where M is the ductility enhancing metal selected from the group Ti, Zr, Hf and mixtures thereof. Effective amounts of creep property enhance elements selected from the group cerium, niobium and mixtures thereof sufficient to enhance creep properties in the resulting alloy without adversely affecting the fabrication of the alloy

  15. Short-range order in InSb amorphized under ion bombardment

    International Nuclear Information System (INIS)

    Pavlov, P.V.; Tetel'baum, D.I.; Gerasimov, A.I.

    1979-01-01

    The investigation of short-range order is carried out in polycrystal InSb films, irradiated with Ne + ions with E=150 keV and with the 2x10 15 ion/cm 2 dose. The data are obtained testifying to the film amorphization, the cause of which is the defect storage but not the local melting. Stability of the obtained amorphous phase at the room temperature is noted

  16. Electron spin resonance for the detection of long-range spin nematic order

    Science.gov (United States)

    Furuya, Shunsuke C.; Momoi, Tsutomu

    2018-03-01

    Spin nematic phase is a quantum magnetic phase characterized by a quadrupolar order parameter. Since the quadrupole operators are directly coupled to neither the magnetic field nor the neutron, currently, it is an important issue to develop a method for detecting the long-range spin nematic order. In this paper, we propose that electron spin resonance (ESR) measurements enable us to detect the long-range spin nematic order. We show that the frequency of the paramagnetic resonance peak in the ESR spectrum is shifted by the ferroquadrupolar order parameter together with other quantities. The ferroquadrupolar order parameter is extractable from the angular dependence of the frequency shift. In contrast, the antiferroquadrupolar order parameter is usually invisible in the frequency shift. Instead, the long-range antiferroquadrupolar order yields a characteristic resonance peak in the ESR spectrum, which we call a magnon-pair resonance peak. This resonance corresponds to the excitation of the bound magnon pair at the wave vector k =0 . Reflecting the condensation of bound magnon pairs, the field dependence of the magnon-pair resonance frequency shows a singular upturn at the saturation field. Moreover, the intensity of the magnon-pair resonance peak shows a characteristic angular dependence and it vanishes when the magnetic field is parallel to one of the axes that diagonalize the weak anisotropic interactions. We confirm these general properties of the magnon-pair resonance peak in the spin nematic phase by studying an S =1 bilinear-biquadratic model on the square lattice in the linear flavor-wave approximation. In addition, we argue applications to the S =1/2 frustrated ferromagnets and also the S =1/2 orthogonal dimer spin system SrCu2(BO3)2, both of which are candidate materials of spin nematics. Our theory for the antiferroquadrupolar ordered phase is consistent with many features of the magnon-pair resonance peak experimentally observed in the low

  17. Polarization control of high order harmonics in the EUV photon energy range.

    Science.gov (United States)

    Vodungbo, Boris; Barszczak Sardinha, Anna; Gautier, Julien; Lambert, Guillaume; Valentin, Constance; Lozano, Magali; Iaquaniello, Grégory; Delmotte, Franck; Sebban, Stéphane; Lüning, Jan; Zeitoun, Philippe

    2011-02-28

    We report the generation of circularly polarized high order harmonics in the extreme ultraviolet range (18-27 nm) from a linearly polarized infrared laser (40 fs, 0.25 TW) focused into a neon filled gas cell. To circularly polarize the initially linearly polarized harmonics we have implemented a four-reflector phase-shifter. Fully circularly polarized radiation has been obtained with an efficiency of a few percents, thus being significantly more efficient than currently demonstrated direct generation of elliptically polarized harmonics. This demonstration opens up new experimental capabilities based on high order harmonics, for example, in biology and materials science. The inherent femtosecond time resolution of high order harmonic generating table top laser sources renders these an ideal tool for the investigation of ultrafast magnetization dynamics now that the magnetic circular dichroism at the absorption M-edges of transition metals can be exploited.

  18. Generation and amplification of a high-order sideband induced by two-level atoms in a hybrid optomechanical system

    Science.gov (United States)

    Liu, Zeng-Xing; Xiong, Hao; Wu, Ying

    2018-01-01

    It is quite important to enhance and control the optomechanically induced high-order sideband generation to achieve low-power optical comb and high-sensitivity sensing with an integrable structure. Here we present and analyze a proposal for enhancement and manipulation of optical nonlinearity and high-order sideband generation in a hybrid atom-cavity optomechanical system that is coherently driven by a bichromatic input field consisting of a control field and a probe field and that works beyond the perturbative regime. Our numerical analysis with experimentally achievable parameters confirms that robust high-order sideband generation and typical spectral structures with nonperturbative features can be created even under weak driven fields. The dependence of the high-order sideband generation on the atomic parameters are also discussed in detail, including the decay rate of the atoms and the coupling parameter between the atoms and the cavity field. We show that the cutoff order as well as the amplitude of the higher-order sidebands can be well tuned by the atomic coupling strength and the atomic decay rate. The proposed mechanism of enhancing optical nonlinearity is quite general and can be adopted to optomechanical systems with different types of cavity.

  19. Revealing the correlation between real-space structure and chiral magnetic order at the atomic scale

    Science.gov (United States)

    Hauptmann, Nadine; Dupé, Melanie; Hung, Tzu-Chao; Lemmens, Alexander K.; Wegner, Daniel; Dupé, Bertrand; Khajetoorians, Alexander A.

    2018-03-01

    We image simultaneously the geometric, the electronic, and the magnetic structures of a buckled iron bilayer film that exhibits chiral magnetic order. We achieve this by combining spin-polarized scanning tunneling microscopy and magnetic exchange force microscopy (SPEX) to independently characterize the geometric as well as the electronic and magnetic structures of nonflat surfaces. This new SPEX imaging technique reveals the geometric height corrugation of the reconstruction lines resulting from strong strain relaxation in the bilayer, enabling the decomposition of the real-space from the electronic structure at the atomic level and the correlation with the resultant spin-spiral ground state. By additionally utilizing adatom manipulation, we reveal the chiral magnetic ground state of portions of the unit cell that were not previously imaged with spin-polarized scanning tunneling microscopy alone. Using density functional theory, we investigate the structural and electronic properties of the reconstructed bilayer and identify the favorable stoichiometry regime in agreement with our experimental result.

  20. Ordering and site occupancy of D03 ordered Fe3Al-5 at%Cr evaluated by means of atom probe tomography

    KAUST Repository

    Rademacher, Thomas W.

    2011-05-01

    Addition of ternary elements to the D03 ordered Fe3Al intermetallic phase is a general approach to optimise its mechanical properties. To understand the physical influences of such additions the determination of the probability of site occupancies of these additions on the lattice site and ordering parameters is of high interest. Some common experimental techniques such as X-ray diffraction or Atom Location by Channelling Enhanced Microanalysis (ALCHEMI) are usually applied to explore this interplay. Unfortunately, certain published results are partly inconsistent, imprecise or even contradictory. In this study, these aspects are evaluated systematically by atom probe tomography (APT) and a special data analysis method. Additionally, to account for possible field evaporation effects that can falsify the estimation of site occupancy and induce misinterpretations, APT evaporation sequences were also simulated. As a result, chromium occupies most frequently the next nearest neighbour sites of Al atoms and local ordering parameters could be achieved. © 2010 Elsevier B.V.

  1. Ordering and site occupancy of D03 ordered Fe3Al-5 at%Cr evaluated by means of atom probe tomography

    KAUST Repository

    Rademacher, Thomas W.; Al-Kassab, Talaat; Deges, Johannes; Kirchheim, Reiner

    2011-01-01

    Addition of ternary elements to the D03 ordered Fe3Al intermetallic phase is a general approach to optimise its mechanical properties. To understand the physical influences of such additions the determination of the probability of site occupancies of these additions on the lattice site and ordering parameters is of high interest. Some common experimental techniques such as X-ray diffraction or Atom Location by Channelling Enhanced Microanalysis (ALCHEMI) are usually applied to explore this interplay. Unfortunately, certain published results are partly inconsistent, imprecise or even contradictory. In this study, these aspects are evaluated systematically by atom probe tomography (APT) and a special data analysis method. Additionally, to account for possible field evaporation effects that can falsify the estimation of site occupancy and induce misinterpretations, APT evaporation sequences were also simulated. As a result, chromium occupies most frequently the next nearest neighbour sites of Al atoms and local ordering parameters could be achieved. © 2010 Elsevier B.V.

  2. Distinct Short-Range Order Is Inherent to Small Amorphous Calcium Carbonate Clusters (<2 nm)

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shengtong [Physical Chemistry, University of Konstanz, Universitätsstrasse 10 78457 Konstanz Germany; School of Chemical Engineering, State Key Laboratory of Chemical Engineering, Shanghai Key Laboratory of Multiphase Materials Chemical Engineering, East China University of Science and Technology, 130 Meilong Road Shanghai 200237 P.R. China; Chevrier, Daniel M. [Department of Chemistry and Institute for Research in Materials, Dalhousie University, Halifax Nova Scotia B3H 4R2 Canada; Zhang, Peng [Department of Chemistry and Institute for Research in Materials, Dalhousie University, Halifax Nova Scotia B3H 4R2 Canada; Gebauer, Denis [Physical Chemistry, University of Konstanz, Universitätsstrasse 10 78457 Konstanz Germany; Cölfen, Helmut [Physical Chemistry, University of Konstanz, Universitätsstrasse 10 78457 Konstanz Germany

    2016-09-09

    Amorphous intermediate phases are vital precursors in the crystallization of many biogenic minerals. While inherent short-range orders have been found in amorphous calcium carbonates (ACCs) relating to different crystalline forms, it has never been clarified experimentally whether such orders already exist in very small clusters less than 2 nm in size. Here, we studied the stability and structure of 10,12-pentacosadiynoic acid (PCDA) protected ACC clusters with a core size of ca. 1.4 nm consisting of only seven CaCO3 units. Ligand concentration and structure are shown to be key factors in stabilizing the ACC clusters. More importantly, even in such small CaCO3 entities, a proto-calcite short-range order can be identified but with a relatively high degree of disorder that arises from the very small size of the CaCO3 core. Our findings support the notion of a structural link between prenucleation clusters, amorphous intermediates, and final crystalline polymorphs, which appears central to the understanding of polymorph selection.

  3. Structural study of liquids with strong short-range correlation in the atomic distribution

    International Nuclear Information System (INIS)

    Uzuki, Kenji

    1976-01-01

    Structure factors of liquids and amorphous solids having a relatively high degree of ordering in their short-range structures have been measured over a wide range of scattering vectors by means of the T-O-F neutron diffraction using epithermal pulsed neutrons generated by an electron linear accelerator. It has been shown in the case of liquid CS 2 that the size and shape of a molecule existing in the liquid phase are determined from the behaviour of the structure factor in the range of high scattering vectors, and that the structure factor in the region of low scattering vectors informs on inter-molecular orientational and center-center correlations in the liquid state. Moreover, based on highly resoluted radial distribution functions, a free rotating chain model has been discussed for chain molecules contained in liquid Se, and a splitting of the nearest neighbour Pd-Pd and Pd-Si correlation has been clearly found in the amorphous Pdsub(0.8) - Sisub(0.2) alloy. (orig./HK) [de

  4. Intermediate- and short-range order in phosphorus-selenium glasses

    International Nuclear Information System (INIS)

    Bytchkov, Aleksei; Hennet, Louis; Price, David L.; Miloshova, Mariana; Bychkov, Eugene; Kohara, Shinji

    2011-01-01

    State-of-the-art neutron and x-ray diffraction measurements have been performed to provide a definitive picture of the intermediate- and short-range structures of P x Se 1-x glasses spanning two glass regions, x 0.025-0.54 and 0.64-0.84. Liquid P 4 Se 3 and amorphous red P and Se were also measured. Detailed information was obtained about the development with increasing phosphorous concentration of intermediate-range order on the length scale ∼6 A ring , based on the behavior of the first sharp diffraction peak. Attention is also paid to the feature in the structure factor at 7.5 A ring -1 , identified in earlier numerical simulations, provides further evidence of the existence of molecular units. The real-space transforms yield a reliable statistical picture of the changing short-range order as x increases, using the information about types and concentrations of local structural units provided by previous NMR measurements to interpret the trends observed.

  5. Intermediate-range chemical ordering of cations in molten RbCl-AgCl

    International Nuclear Information System (INIS)

    Tahara, S.; Kawakita, Y.; Shimakura, H.; Ohara, K.; Fukami, T.; Takeda, S.

    2015-01-01

    A first sharp diffraction peak (FSDP) is observed in the X-ray total structure factor of a molten mixture of RbCl-AgCl, while both pure melts of RbCl and AgCl do not exhibit FSDP individually. Molecular dynamics simulations were performed to investigate the origin of the FSDP with the polarizable ion model (PIM). Coexistence of covalent Ag–Cl and ionic Rb–Cl bonds leads the system to evolve intermediate range ordering, which is simulated by introducing the induced polarization in different ways between Ag–Cl with fully polarizable treatment based on Vashishta-Raman potential and Rb–Cl with suppression over-polarization in the nearest neighbor contribution based on Born-Meyer potential. The partial structure factors for both the Ag–Ag and Rb–Rb correlations, S AgAg (Q) and S RbRb (Q), show a positive contribution to the FSDP, while S AgRb (Q) for the Ag–Rb correlation exhibits a negative contribution, indicating that Ag and Rb ions are distributed in an alternating manner within the intermediate-range length scale. The origin of the intermediate-range chemical ordering of cations can be ascribed to the preferred direction of the dipole moments of anions in the PIM

  6. Intermediate-range chemical ordering of cations in molten RbCl-AgCl

    Energy Technology Data Exchange (ETDEWEB)

    Tahara, S. [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, Okinawa 903-0213 (Japan); Research and Utilization Division, Japan Synchrotron Radiation Research Institute (JASRI, SPring-8), Hyogo 679-5198 (Japan); Kawakita, Y. [J-PARC Center, Japan Atomic Energy Agency (JAEA), Ibaraki 319-1195 (Japan); Shimakura, H. [Faculty of Pharmacy, Niigata University of Pharmacy and Applied Life Sciences, Niigata 956-8603 (Japan); Ohara, K. [Research and Utilization Division, Japan Synchrotron Radiation Research Institute (JASRI, SPring-8), Hyogo 679-5198 (Japan); Fukami, T. [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, Okinawa 903-0213 (Japan); Takeda, S. [Department of Physics, Faculty of Sciences, Kyushu University, Fukuoka 812-8581 (Japan)

    2015-07-28

    A first sharp diffraction peak (FSDP) is observed in the X-ray total structure factor of a molten mixture of RbCl-AgCl, while both pure melts of RbCl and AgCl do not exhibit FSDP individually. Molecular dynamics simulations were performed to investigate the origin of the FSDP with the polarizable ion model (PIM). Coexistence of covalent Ag–Cl and ionic Rb–Cl bonds leads the system to evolve intermediate range ordering, which is simulated by introducing the induced polarization in different ways between Ag–Cl with fully polarizable treatment based on Vashishta-Raman potential and Rb–Cl with suppression over-polarization in the nearest neighbor contribution based on Born-Meyer potential. The partial structure factors for both the Ag–Ag and Rb–Rb correlations, S{sub AgAg}(Q) and S{sub RbRb}(Q), show a positive contribution to the FSDP, while S{sub AgRb}(Q) for the Ag–Rb correlation exhibits a negative contribution, indicating that Ag and Rb ions are distributed in an alternating manner within the intermediate-range length scale. The origin of the intermediate-range chemical ordering of cations can be ascribed to the preferred direction of the dipole moments of anions in the PIM.

  7. Safety and Mission Assurance (SMA) Automated Task Order Management System (ATOMS) Operation Manual

    Science.gov (United States)

    Wallace, Shawn; Fikes, Lou A.

    2016-01-01

    This document describes operational aspects of the ATOMS system. The information provided is limited to the functionality provided by ATOMS and does not include information provided in the contractor's proprietary financial and task management system.

  8. Short, intermediate and mesoscopic range order in sulfur-rich binary glasses

    International Nuclear Information System (INIS)

    Bychkov, E.; Miloshova, M.; Price, D.L.; Benmore, C.J.; Lorriaux, A.

    2006-01-01

    Pulsed neutron and high-energy X-ray diffraction, small-angle neutron scattering, Raman spectroscopy and DSC were used to study structural changes on the short, intermediate and mesoscopic range scale for sulfur-rich AsS x (x (ge) 1.5) and GeS x (x (ge) 2) glasses. Two structural regions were found in the both systems. (1) Between stoichiometric (As 2 S 3 and GeS 2 ) and 'saturated' (AsS 2.2 and GeS 2.7 ) compositions, excessive sulfur atoms form sulfur dimers and/or short chains, replacing bridging sulfur in corner-sharing AsS 3/2 and GeS 4/2 units. (2) Above the 'saturated' compositions at (As) x system) appear in the glass network. The glasses become phase separated with the domains of 20-50 (angstrom), presumably enriched with sulfur rings. The longer chains Sn are not stable and crystallize to c-S 8 on ageing of a few days to several months, depending on composition.

  9. Elastic properties and short-range structural order in mixed network former glasses.

    Science.gov (United States)

    Wang, Weimin; Christensen, Randilynn; Curtis, Brittany; Hynek, David; Keizer, Sydney; Wang, James; Feller, Steve; Martin, Steve W; Kieffer, John

    2017-06-21

    Elastic properties of alkali containing glasses are of great interest not only because they provide information about overall structural integrity but also they are related to other properties such as thermal conductivity and ion mobility. In this study, we investigate two mixed-network former glass systems, sodium borosilicate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)SiO 2 ] and sodium borogermanate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)GeO 2 ] glasses. By mixing network formers, the network topology can be changed while keeping the network modifier concentration constant, which allows for the effect of network structure on elastic properties to be analyzed over a wide parametric range. In addition to non-linear, non-additive mixed-glass former effects, maxima are observed in longitudinal, shear and Young's moduli with increasing atomic number density. By combining results from NMR spectroscopy and Brillouin light scattering with a newly developed statistical thermodynamic reaction equilibrium model, it is possible to determine the relative proportions of all network structural units. This new analysis reveals that the structural characteristic predominantly responsible for effective mechanical load transmission in these glasses is a high density of network cations coordinated by four or more bridging oxygens, as it provides for establishing a network of covalent bonds among these cations with connectivity in three dimensions.

  10. Shiga toxin induces membrane reorganization and formation of long range lipid order

    DEFF Research Database (Denmark)

    Solovyeva, Vita; Johannes, Ludger; Simonsen, Adam Cohen

    2015-01-01

    membrane reordering. When Shiga toxin was added above the lipid chain melting temperature, the toxin interaction with the membrane induced rearrangement and clustering of Gb3 lipids that resulted in the long range order and alignment of lipids in gel domains. The toxin induced redistribution of Gb3 lipids...... inside gel domains is governed by the temperature at which Shiga toxin was added to the membrane: above or below the phase transition. The temperature is thus one of the critical factors controlling lipid organization and texture in the presence of Shiga toxin. Lipid chain ordering imposed by Shiga toxin...... binding can be another factor driving the reconstruction of lipid organization and crystallization of lipids inside gel domains....

  11. Choosing order of operations to accelerate strip structure analysis in parameter range

    Science.gov (United States)

    Kuksenko, S. P.; Akhunov, R. R.; Gazizov, T. R.

    2018-05-01

    The paper considers the issue of using iteration methods in solving the sequence of linear algebraic systems obtained in quasistatic analysis of strip structures with the method of moments. Using the analysis of 4 strip structures, the authors have proved that additional acceleration (up to 2.21 times) of the iterative process can be obtained during the process of solving linear systems repeatedly by means of choosing a proper order of operations and a preconditioner. The obtained results can be used to accelerate the process of computer-aided design of various strip structures. The choice of the order of operations to accelerate the process is quite simple, universal and could be used not only for strip structure analysis but also for a wide range of computational problems.

  12. A sextupole-magnet as variable velocity selector for paramagnetic atomic beams in the thermal range

    International Nuclear Information System (INIS)

    Spindler, G.; Ebinghaus, H.; Steffens, E.

    1974-01-01

    The possibility of employing a sextupole-magnet as a velocity selector on account of its velocity dependent focusing properties for paramagnetic atomic beams is investigated. In comparison with a traditional velocity selector with rotating disks, a sextupole-magnet as velocity selector has the advantage of additional focusing and polarizing the atomic beam. Moreover it suppresses polymer molecules without an effective magnetic momentum of the electronic shell

  13. Long-range interactions between excited helium and alkali-metal atoms

    KAUST Repository

    Zhang, J.-Y.; Schwingenschlö gl, Udo; Shi, T.-Y.; Tang, L.-Y.; Yan, Z.-C.

    2012-01-01

    –5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first

  14. Long-range dipolar order and dispersion forces in polar liquids

    Science.gov (United States)

    Besford, Quinn Alexander; Christofferson, Andrew Joseph; Liu, Maoyuan; Yarovsky, Irene

    2017-11-01

    Complex solvation phenomena, such as specific ion effects, occur in polar liquids. Interpretation of these effects in terms of structure and dispersion forces will lead to a greater understanding of solvation. Herein, using molecular dynamics, we probe the structure of polar liquids through specific dipolar pair correlation functions that contribute to the potential of mean force that is "felt" between thermally rotating dipole moments. It is shown that unique dipolar order exists at separations at least up to 20 Å for all liquids studied. When the structural order is compared with a dipolar dispersion force that arises from local co-operative enhancement of dipole moments, a strong agreement is found. Lifshitz theory of dispersion forces was compared with the structural order, where the theory is validated for all liquids that do not have significant local dipole correlations. For liquids that do have significant local dipole correlations, specifically liquid water, Lifshitz theory underestimates the dispersion force by a factor of 5-10, demonstrating that the force that leads to the increased structure in liquid water is missed by Lifshitz theory of van der Waals forces. We apply similar correlation functions to an ionic aqueous system, where long-range order between water's dipole moment and a single chloride ion is found to exist at 20 Å of separation, revealing a long-range perturbation of water's structure by an ion. Furthermore, we found that waters within the 1st, 2nd, and 3rd solvation shells of a chloride ion exhibit significantly enhanced dipolar interactions, particularly with waters at larger distances of separation. Our results provide a link between structures, dispersion forces, and specific ion effects, which may lead to a more robust understanding of solvation.

  15. Short-range order and local conservation of quantum numbers in multiparticle production

    International Nuclear Information System (INIS)

    Le Bellac, M.

    1976-01-01

    These lectures discuss the implications of the hypotheses of short-range order (SRO) and local conservation of quantum numbers (LCQN) for multiple production of elementary particles at high energies. The consequences of SRO for semi-inclusive correlations and the distribution of rapidity gaps are derived, essentially in the framework of the cluster model. Then the experimental status of local conservation of charge and transverse momentum is reviewed. Finally, by making use of the unitarity relation, it is shown that LCQN has important consequences for the elastic amplitude. The derivation is given both in a model-independent way, and in specific multiperiheral models. (Author)

  16. Effect of medium range order on pulsed laser crystallization of amorphous germanium thin films

    Energy Technology Data Exchange (ETDEWEB)

    Li, T. T., E-mail: li48@llnl.gov; Bayu Aji, L. B.; Heo, T. W.; Kucheyev, S. O.; Campbell, G. H. [Materials Science Division, Lawrence Livermore National Laboratory, 7000 East Ave., Livermore, California 94551 (United States); Santala, M. K. [Mechanical, Industrial, and Manufacturing Engineering, Oregon State University, 204 Rogers Hall, Corvallis, Oregon 97331 (United States)

    2016-05-30

    Sputter deposited amorphous Ge thin films had their nanostructure altered by irradiation with high-energy Ar{sup +} ions. The change in the structure resulted in a reduction in medium range order (MRO) characterized using fluctuation electron microscopy. The pulsed laser crystallization kinetics of the as-deposited versus irradiated materials were investigated using the dynamic transmission electron microscope operated in the multi-frame movie mode. The propagation rate of the crystallization front for the irradiated material was lower; the changes were correlated to the MRO difference and formation of a thin liquid layer during crystallization.

  17. Long-range order between the planets in the Solar system

    DEFF Research Database (Denmark)

    Bohr, Jakob; Olsen, Kasper

    2010-01-01

    The Solar System is investigated for positional correlations between the planets using a logarithmic distance scale. The pair correlation function for the logarithm of the semimajor axis shows a regular distribution with 5-7 consecutive peaks, and the Fourier transform hereof shows reciprocal peaks...... the number of data points is small. The pair correlation function of the permutated planets lacks the sequence of equidistant peaks and its Fourier transform has no second order peak. This analysis demonstrates the existence of longer ranged correlations in the Solar System....

  18. EXAFS study of short range order in Fe-Zr amorphous alloys

    International Nuclear Information System (INIS)

    Fernandez-Gubieda, M.L.; Gorria, P.; Barandiaran, J.M.; Barquin, L.F.

    1995-01-01

    Room temperature X-ray absorption spectra on Fe K-edge have been performed in Fe 100-x-y Zr x B y and Fe 86 Zr 7 Cu 1 B 6 alloys (x=7, 7.7, 9; y=0, 2, 4, 6). Fe-Fe coordination number and interatomic distances do not change in any sample. However, small changes in the Fe-Zr short range order, which could explain the evolution of the magnetic properties, have been observed. (orig.)

  19. Effect of medium range order on pulsed laser crystallization of amorphous germanium thin films

    International Nuclear Information System (INIS)

    Li, T. T.; Bayu Aji, L. B.; Heo, T. W.; Kucheyev, S. O.; Campbell, G. H.; Santala, M. K.

    2016-01-01

    Sputter deposited amorphous Ge thin films had their nanostructure altered by irradiation with high-energy Ar"+ ions. The change in the structure resulted in a reduction in medium range order (MRO) characterized using fluctuation electron microscopy. The pulsed laser crystallization kinetics of the as-deposited versus irradiated materials were investigated using the dynamic transmission electron microscope operated in the multi-frame movie mode. The propagation rate of the crystallization front for the irradiated material was lower; the changes were correlated to the MRO difference and formation of a thin liquid layer during crystallization.

  20. Z-Contrast STEM Imaging of Long-Range Ordered Structures in Epitaxially Grown CoPt Nanoparticles

    Directory of Open Access Journals (Sweden)

    Kazuhisa Sato

    2013-01-01

    Full Text Available We report on atomic structure imaging of epitaxial L10 CoPt nanoparticles using chemically sensitive high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM. Highly ordered nanoparticles formed by annealing at 973 K show single-variant structure with perpendicular c-axis orientation, while multivariant ordered domains are frequently observed for specimens annealed at 873 K. It was found that the (001 facets of the multivariant particles are terminated by Co atoms rather than by Pt, presumably due to the intermediate stage of atomic ordering. Coexistence of single-variant particles and multivariant particles in the same specimen film suggests that the interfacial energy between variant domains be small enough to form such structural domains in a nanoparticle as small as 4 nm in diameter.

  1. Direct interferometric measurement of the atomic dipole phase in high-order harmonic generation

    International Nuclear Information System (INIS)

    Chiara Corsi; Angela Pirri; Emiliano Sali

    2006-01-01

    Complete test of publication follows. For low gas densities and negligible ionization, the so-called atomic dipole phase, connected with the electronic dynamics involved in the generation process, is the main source of phase modulation and incoherence of high-order harmonics. To accurately determine these laser-intensity-induced phase shifts is therefore of great importance, both for the possible spectroscopic applications of harmonics and for the controlled generation of attosecond pulses. In a semiclassical description, only two electronic trajectories contribute to generate plateau harmonics during each pump optical half-cycle. Electrons appearing in the continuum by tunnel ionization may follow two different quantum paths, namely a long (l) and a short (s) trajectory before recombination. According to the SFA approximation, the harmonic of q th order acquires a phase proportional to the electronic classical action, and simply given by: ψ 0 j (r,t) -α q j I(r,t) with j = l, s where α q j are non-linear phase coefficients, roughly proportional to the time that the originating electron spends in the continuum before recombination. The space and time variation of the laser intensity (I(r,t), causes just a little phase modulation for the s-trajectory harmonic component, while the l-trajectory component becomes strongly chirped and spatially defocused; this gives rise to two spatially-separated regions having different temporal coherence. Here we report the first direct measurement of such atomic dipole phase in the process of high-order harmonic generation. Differently from previous measurements based in the most natural way, i.e., by interferometry. Two phase-locked pump pulses generate two phase-locked harmonic pulses in two nearby positions in a gas jet; one of them is used as a fixed phase reference while the generating intensity of the other is varied. The shift of the XUV interference fringes observed in the far field then gives a direct estimate of the

  2. Generalized position-momentum uncertainty products: Inclusion of moments with negative order and application to atoms

    International Nuclear Information System (INIS)

    Angulo, J. C.

    2011-01-01

    Rigorous and universal relationships among radial expectation values of any D-dimensional quantum-mechanical system are obtained, using Renyi-like position-momentum inequalities in an information-theoretical framework. Although the results are expressed in terms of four moments (two in position space and two in the momentum one), especially interesting are the cases that provide expressions of uncertainty in terms of products a > 1/a b > 1/b , widely considered in the literature, including the famous Heisenberg relationship 2 > 2 >≥D 2 /4. Improved bounds for these products have recently been provided, but are always restricted to positive orders a,b>0. The interesting part of this work are the inequalities for negative orders. A study of these relationships is carried out for atomic systems in their ground state. Some results are given in terms of relevant physical quantities, including the kinetic and electron-nucleus attraction energies, the diamagnetic susceptibility, and the height of the peak of the Compton profile, among others.

  3. Stability of medium range order in Al-based metallic glass compacted by severe plastic deformation

    Energy Technology Data Exchange (ETDEWEB)

    Kovács, Zs.; Henits, P. [Department of Materials Physics, Eötvös University, P.O.B. 32, H-1518 Budapest (Hungary); Varga, L.K. [Research Institute for Solid state Physics and Optics, Hungarian Academy of Sciences, P.O.B. 49, H-1525 Budapest (Hungary); Schafler, E. [Physics of Nanostructured Materials, Faculty of Physics, University of Vienna, A-1090 Vienna (Austria); Révész, Á., E-mail: reveszadam@ludens.elte.hu [Department of Materials Physics, Eötvös University, P.O.B. 32, H-1518 Budapest (Hungary)

    2013-06-05

    Highlights: ► High pressure torsion has been applied to produce low-porosity bulk Al-based amorphous specimens. ► The compacted disks possess higher hardness than the original glass. ► Mechanical and thermal impacts have only minor effects on the glassy structure. ► Medium range order is an inherent feature of the amorphous state. -- Abstract: High pressure torsion has successfully been applied to produce low-porosity, bulk specimens from Al-based metallic glass ribbons (Al{sub 85}Y{sub 8}Ni{sub 5}Co{sub 2}, Al{sub 85}Ce{sub 8}Ni{sub 5}Co{sub 2} and Al{sub 85}Gd{sub 8}Ni{sub 5}Co{sub 2}). The compacted disks possess higher hardness than the original glass and have substantial glass fraction with nanocrystalline precipitations. Mechanical and thermal impacts have only minor effects on the glassy structure as demonstrated by the stability of the X-ray diffraction halo positions. Unchanged halos reveal that medium range order is a key characteristic of the amorphous state.

  4. Short-range second order screened exchange correction to RPA correlation energies

    Science.gov (United States)

    Beuerle, Matthias; Ochsenfeld, Christian

    2017-11-01

    Direct random phase approximation (RPA) correlation energies have become increasingly popular as a post-Kohn-Sham correction, due to significant improvements over DFT calculations for properties such as long-range dispersion effects, which are problematic in conventional density functional theory. On the other hand, RPA still has various weaknesses, such as unsatisfactory results for non-isogyric processes. This can in parts be attributed to the self-correlation present in RPA correlation energies, leading to significant self-interaction errors. Therefore a variety of schemes have been devised to include exchange in the calculation of RPA correlation energies in order to correct this shortcoming. One of the most popular RPA plus exchange schemes is the second order screened exchange (SOSEX) correction. RPA + SOSEX delivers more accurate absolute correlation energies and also improves upon RPA for non-isogyric processes. On the other hand, RPA + SOSEX barrier heights are worse than those obtained from plain RPA calculations. To combine the benefits of RPA correlation energies and the SOSEX correction, we introduce a short-range RPA + SOSEX correction. Proof of concept calculations and benchmarks showing the advantages of our method are presented.

  5. 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.)

  6. Ordering and site occupancy of D03 ordered Fe3Al-5 at%Cr evaluated by means of atom probe tomography

    International Nuclear Information System (INIS)

    Rademacher, Thomas; Al-Kassab, Talaat; Deges, Johannes; Kirchheim, Reiner

    2011-01-01

    Addition of ternary elements to the D0 3 ordered Fe 3 Al intermetallic phase is a general approach to optimise its mechanical properties. To understand the physical influences of such additions the determination of the probability of site occupancies of these additions on the lattice site and ordering parameters is of high interest. Some common experimental techniques such as X-ray diffraction or Atom Location by Channelling Enhanced Microanalysis (ALCHEMI) are usually applied to explore this interplay. Unfortunately, certain published results are partly inconsistent, imprecise or even contradictory. In this study, these aspects are evaluated systematically by atom probe tomography (APT) and a special data analysis method. Additionally, to account for possible field evaporation effects that can falsify the estimation of site occupancy and induce misinterpretations, APT evaporation sequences were also simulated. As a result, chromium occupies most frequently the next nearest neighbour sites of Al atoms and local ordering parameters could be achieved. -- Research highlights: → APT measurements of Fe 3 Al-Cr are systematically analysed to study ordering. → APT measurements are simulated using EAM to calculate binding energies. → Cr occupies next nearest neighbour sites of aluminium with at least 83% ordering. → Aluminium ordering is at least 92%

  7. High-energy X-ray study of short range order and phase transformations in titanium-vanadium

    International Nuclear Information System (INIS)

    Ramsteiner, I.B.

    2005-01-01

    This work presents a study of configurational correlations and phase transformations in the binary alloy Ti-V, using high-energy X-ray diffraction. The experiments have been performed at the European Synchrotron Radiation Facility (ESRF) in Grenoble. The high-energy (60-100 keV) technique developed recently allows in-situ measurements on bulk material in transmission geometry. The first part of the thesis discusses multiple scattering effects which might occur with this method. These effects are experimentally verified and discussed. Special emphasis is put on the questions, whether they affect the results obtained with this method, and how they can be avoided. Understanding alloys on the most fundamental level requires knowledge about the atomic interaction potentials. Competing with entropy, these potentials determine the configurational short range order in a disordered alloy, which generates together with static and dynamic distortions the diffuse scattering. The thesis presents measurements and calculations of the diffuse scattering patterns of Ti-V. The calculations, taking into account configurational correlations, static distortions induced by atomic size mismatch and thermal diffuse scattering, agree with the experimental data. Structural transformations in Ti-V are carefully characterized using high-energy x-ray diffraction in combination with the complementary transmission electron microscopy (TEM). While the first technique allows to study the phenomena in-situ and time-resolved, TEM yields real space images and chemical information about the phases. Ti-V near the equiatomic composition is a beta-Ti-alloy. The body centered cubic beta phase is retained at room temperature by fast quenching. Aging the material below the phase transformation temperature, however, leads to the precipitation of hexagonal alpha titanium. Another transformation process confusing earlier works is identified as TiC formation from carbon impurities in the material. In addition

  8. Concentration and temperature dependence of short-range order in Ni-Ta solid solution using X-ray diffraction method

    International Nuclear Information System (INIS)

    Khwaja, F.A.; Alam, A.

    1980-09-01

    Diffuse X-ray scattering investigations about the existence of short-range order (SRO) have been carried out in the Ni-Ta system for different concentrations and annealing temperatures. It is observed that the values of the SRO parameters for the first co-ordination shell have anomalously large negative values for all the samples studied. These values of the α 1 depend upon the annealing temperatures and the concentration of Ta atoms in the Ni-Ta system. The results of the theoretical predictions of the ordering potential obtained using the formulae of the electronic theory of SRO, confirm the existence of very strong attractive correlation between the atoms of the different species in this system. (author)

  9. Communication: Anomalous temperature dependence of the intermediate range order in phosphonium ionic liquids

    International Nuclear Information System (INIS)

    Hettige, Jeevapani J.; Kashyap, Hemant K.; Margulis, Claudio J.

    2014-01-01

    In a recent article by the Castner and Margulis groups [Faraday Discuss. 154, 133 (2012)], we described in detail the structure of the tetradecyltrihexylphosphonium bis(trifluoromethylsulfonyl)-amide ionic liquid as a function of temperature using X-ray scattering, and theoretical partitions of the computationally derived structure function. Interestingly, and as opposed to the case in most other ionic-liquids, the first sharp diffraction peak or prepeak appears to increase in intensity as temperature is increased. This phenomenon is counter intuitive as one would expect that intermediate range order fades as temperature increases. This Communication shows that a loss of hydrophobic tail organization at higher temperatures is counterbalanced by better organization of polar components giving rise to the increase in intensity of the prepeak

  10. Spectral properties of an extended Hubbard ladder with long range anti-ferromagnetic order

    Science.gov (United States)

    Yang, Chun; Feiguin, Adrian

    We study the spectral properties of a Hubbard ladder with anti-ferromagnetic long range order by introducing a staggered Heisenberg interaction that decays algebraically. Unlike an alternating field or the t -Jz model, our problem preserves both SU (2) and translational invariance. We solve the problem with the time-dependent density matrix renormalization group and analyze the binding between holons and spinons and the structure of the elementary excitations. We discuss the implications in the context of the 2D Hubbard model at, and away from half-filling by using cluster perturbation theory (CPT). AF acknowledges the U.S. Department of Energy, Office of Basic Energy Sciences, for support under Grant DE-SC0014407.

  11. Formation and transformation of a short range ordered iron carbonate precursor

    DEFF Research Database (Denmark)

    Dideriksen, Knud; Frandsen, Cathrine; Bovet, Nicolas

    2015-01-01

    (II) with varying pH produced broad peaks in X-ray diffraction and contained dominantly Fe and CO3 when probed with X-ray photoelectron spectroscopy. Reduced pair distribution function (PDF) analysis shows only peaks corresponding to interatomic distances below 15Å, reflecting a material with no long range...... structural order. Moreover, PDF peak positions differ from those for known iron carbonates and hydroxides. Mössbauer spectra also deviate from those expected for known iron carbonates and suggest a less crystalline structure. These data show that a previously unidentified iron carbonate precursor phase...... formed. Its coherent scattering domains determined from PDF analysis are slightly larger than for amorphous calcium carbonate, suggesting that the precursor could be nanocrystalline. Replica exchange molecular dynamics simulations of Fe-carbonate polynuclear complexes yield PDF peak positions that agree...

  12. A nonrecursive order N preconditioned conjugate gradient: Range space formulation of MDOF dynamics

    Science.gov (United States)

    Kurdila, Andrew J.

    1990-01-01

    While excellent progress has been made in deriving algorithms that are efficient for certain combinations of system topologies and concurrent multiprocessing hardware, several issues must be resolved to incorporate transient simulation in the control design process for large space structures. Specifically, strategies must be developed that are applicable to systems with numerous degrees of freedom. In addition, the algorithms must have a growth potential in that they must also be amenable to implementation on forthcoming parallel system architectures. For mechanical system simulation, this fact implies that algorithms are required that induce parallelism on a fine scale, suitable for the emerging class of highly parallel processors; and transient simulation methods must be automatically load balancing for a wider collection of system topologies and hardware configurations. These problems are addressed by employing a combination range space/preconditioned conjugate gradient formulation of multi-degree-of-freedom dynamics. The method described has several advantages. In a sequential computing environment, the method has the features that: by employing regular ordering of the system connectivity graph, an extremely efficient preconditioner can be derived from the 'range space metric', as opposed to the system coefficient matrix; because of the effectiveness of the preconditioner, preliminary studies indicate that the method can achieve performance rates that depend linearly upon the number of substructures, hence the title 'Order N'; and the method is non-assembling. Furthermore, the approach is promising as a potential parallel processing algorithm in that the method exhibits a fine parallel granularity suitable for a wide collection of combinations of physical system topologies/computer architectures; and the method is easily load balanced among processors, and does not rely upon system topology to induce parallelism.

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

    International Nuclear Information System (INIS)

    Wilson, S.; Silver, D.M.

    1979-01-01

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

  14. Structural evolution on medium-range-order during the fragile-strong transition in Ge_1_5Te_8_5

    International Nuclear Information System (INIS)

    Wei, Shuai; Stolpe, Moritz; Gross, Oliver; Hembree, William; Hechler, Simon; Bednarcik, Jozef; Busch, Ralf; Lucas, Pierre

    2017-01-01

    Using synchrotron X-ray scattering, we investigate liquid Ge_1_5Te_8_5 spanning a wide temperature range from near T_g to the melt, and demonstrate that the density anomaly and fragile-strong transition are not only related to short-range-order (SRO) structural change (e.g. Peierls-like distortion), but also accompanied by a remarkable development of medium-range-order (MRO). The latter manifests as an emerging pre-peak in total structure factor S(Q) and atomic pair correlations on the length scale of ∼8 Å in the real space G(r) function. The results highlight the role of medium-range structural ordering in the evolution of the configurational entropy which, according to the Adam-Gibbs theory, can be linked to the fragile-strong transition (FS-transition). Based on the relation between structure and liquid dynamics, the FS-transitions at high pressures are examined in terms of experimental data and the Ehrenfest relation. This work identifies the length scale for the atomic correlations in MRO structural evolutions and presents a structural approach to exploring liquid dynamics, which may be useful for investigating relevant phase-change alloys.

  15. Absence of Long-Range Order in a Triangular Spin System with Dipolar Interactions

    Science.gov (United States)

    Keleş, Ahmet; Zhao, Erhai

    2018-05-01

    The antiferromagnetic Heisenberg model on the triangular lattice is perhaps the best known example of frustrated magnets, but it orders at low temperatures. Recent density matrix renormalization group (DMRG) calculations find that the next nearest neighbor interaction J2 enhances the frustration, and it leads to a spin liquid for J2/J1∈(0.08 ,0.15 ). In addition, a DMRG study of a dipolar Heisenberg model with longer range interactions gives evidence for a spin liquid at a small dipole tilting angle θ ∈[0 ,1 0 ° ). In both cases, the putative spin liquid region appears to be small. Here, we show that for the triangular lattice dipolar Heisenberg model, a robust quantum paramagnetic phase exists in a surprisingly wide region, θ ∈[0 ,5 4 ° ) , for dipoles tilted along the lattice diagonal direction. We obtain the phase diagram of the model by functional renormalization group (RG), which treats all magnetic instabilities on equal footing. The quantum paramagnetic phase is characterized by a smooth continuous flow of vertex functions and spin susceptibility down to the lowest RG scale, in contrast to the apparent breakdown of RG flow in phases with stripe or spiral order. Our finding points to a promising direction to search for quantum spin liquids in ultracold dipolar molecules.

  16. Large magnetoelectric coupling in magnetically short-range ordered Bi₅Ti₃FeO₁₅ film.

    Science.gov (United States)

    Zhao, Hongyang; Kimura, Hideo; Cheng, Zhenxiang; Osada, Minoru; Wang, Jianli; Wang, Xiaolin; Dou, Shixue; Liu, Yan; Yu, Jianding; Matsumoto, Takao; Tohei, Tetsuya; Shibata, Naoya; Ikuhara, Yuichi

    2014-06-11

    Multiferroic materials, which offer the possibility of manipulating the magnetic state by an electric field or vice versa, are of great current interest. However, single-phase materials with such cross-coupling properties at room temperature exist rarely in nature; new design of nano-engineered thin films with a strong magneto-electric coupling is a fundamental challenge. Here we demonstrate a robust room-temperature magneto-electric coupling in a bismuth-layer-structured ferroelectric Bi₅Ti₃FeO₁₅ with high ferroelectric Curie temperature of ~1000 K. Bi₅Ti₃FeO₁₅ thin films grown by pulsed laser deposition are single-phase layered perovskit with nearly (00l)-orientation. Room-temperature multiferroic behavior is demonstrated by a large modulation in magneto-polarization and magneto-dielectric responses. Local structural characterizations by transmission electron microscopy and Mössbauer spectroscopy reveal the existence of Fe-rich nanodomains, which cause a short-range magnetic ordering at ~620 K. In Bi₅Ti₃FeO₁₅ with a stable ferroelectric order, the spin canting of magnetic-ion-based nanodomains via the Dzyaloshinskii-Moriya interaction might yield a robust magneto-electric coupling of ~400 mV/Oe·cm even at room temperature.

  17. Heredity of medium-range order structure from melts to the microstructure of Ni-Cr-W superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Zhongtang; Hu, Rui; Wang, Jun; Li, Jinshan [Northwestern Polytechnical University, State Key Laboratory of Solidification Processing, Xi' an (China)

    2015-07-15

    The structure factor S(Q), intensities and pair distribution function g(r) of liquid Ni-Cr-W superalloy at different temperatures have been measured by a high-temperature X-ray diffractometer. Coordination N{sub min}, correlation radius r{sub c}, the nearest atomic distance r{sub 1}, solidification microstructure and compression performance have been studied. The results show that a pre-peak exists on the structure factor curve at the liquidus temperature, and a fine structure of equiaxed, globular and non-dendritic primary grains can be achieved by casting the alloy at liquidus temperature. Liquid structure feature of Ni-Cr-W superalloy is found to depend on temperature. During the solidification, some structural information carried by the medium-range order (MRO) structure is inherited from the melt to the microstructure, which is beneficial for grain refinement. The maximum yield strength measured from typical microstructure of the equiaxed and non-dendritic grains at 1400 C is 543 MPa. The results show that refinement and non-dendritic grain is beneficial to the improvement of the yield strength. (orig.)

  18. Grain Refinement by Authigenic Inoculation Inherited from the Medium-Range Order Structure of Ni-Cr-W Superalloy

    Science.gov (United States)

    Gao, Zhongtang; Hu, Rui; Guo, Wei; Zhang, Chuanwei

    2018-05-01

    The combination of liquidus casting and thermal control solidification furnace was applied to obtain a fine-grained ingot. A rapid quenching method and x-ray diffraction measurement were used to investigate the effect of authigenic inoculation on grain refinement. The structure factor S( Q) of liquid Ni -Cr-W superalloy at 1400 °C (Liquidus temperature) and bright-field image of the microstructures quenched from 1400 °C have been measured by the high-temperature x-ray diffractometer and the transmission electron microscopy (TEM), respectively. The results show that a pre-peak exists on a S( Q) curve at the liquidus temperature. The clusters of atom in rapidly quenched microstructures obtained by isothermal heat treatment at 1400 °C were studied using TEM. Meanwhile, the effect of isothermal different temperatures on rapidly quenched microstructures was studied. The results also show that there are only the globular, equiaxed grains distributed in the solidification structure. These particles are inherited from the medium-range order structure, which is beneficial for grain refinement. The normalized work-hardening rate-strain curve indicates the work-hardening rate of fine grain is higher than that of conventional grain at the same temperature and the same deformation.

  19. Phase decomposition and ordering in Ni-11.3 at.% Ti studied with atom probe tomography

    KAUST Repository

    Al-Kassab, Talaat; Kompatscher, Michael; Kirchheim, Reiner; Kostorz, Gernot; Schö nfeld, Bernd

    2014-01-01

    The decomposition behavior of Ni-rich Ni-Ti was reassessed using Tomographic Atom Probe (TAP) and Laser Assisted Wide Angle Tomographic Atom Probe. Single crystalline specimens of Ni-11.3at.% Ti were investigated, the states selected from

  20. Resonance absorption measurements of atom concentrations in reacting gas mixtures. II. Calibration of microwave sources over a wide temperature range

    International Nuclear Information System (INIS)

    Chiang, C.; Lifshitz, A.; Skinner, G.B.; Wood, D.R.

    1979-01-01

    A series of experiments was carried out to calibrate three different microwave discharge lamps for analysis for D or H atoms, using Lyman-α absorption. Known concentrations of D atoms were produced in a shock tube by the reaction of 0.05--4 ppm D 2 with N 2 O in argon at 1800--3000 K. H atoms were produced by dissociation of 2,2,3,3-tetramethylbutane (10 ppm in argon) at 980--1140 K. These absorption data were compared with the absorption calculated from Lyman-α line shapes reported in an earlier paper, good agreement being found. These experiments provide a sound basis for obtaining the temperature and concentration dependence of the absorption coefficient over a wide temperature range, for H and D concentrations between 10 -12 and 10 -10 mole/cc

  1. Pump-probe study of atoms and small molecules with laser driven high order harmonics

    Science.gov (United States)

    Cao, Wei

    A commercially available modern laser can emit over 1015 photons within a time window of a few tens of femtoseconds (10-15second), which can be focused into a spot size of about 10 mum, resulting in a peak intensity above 1014W/cm2. This paves the way for table-top strong field physics studies such as above threshold ionization (ATI), non-sequential double ionization (NSDI), high order harmonic generation (HHG), etc.. Among these strong laser-matter interactions, high order harmonic generation, which combines many photons of the fundamental laser field into a single photon, offers a unique way to generate light sources in the vacuum ultraviolet (VUV) or extreme ultraviolet (EUV) region. High order harmonic photons are emitted within a short time window from a few tens of femtoseconds down to a few hundreds of attoseconds (10 -18second). This highly coherent nature of HHG allows it to be synchronized with an infrared (IR) laser pulse, and the pump-probe technique can be adopted to study ultrafast dynamic processes in a quantum system. The major work of this thesis is to develop a table-top VUV(EUV) light source based on HHG, and use it to study dynamic processes in atoms and small molecules with the VUV(EUV)-pump IR-probe method. A Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) apparatus is used for momentum imaging of the interaction products. Two types of high harmonic pump pulses are generated and applied for pump-probe studies. The first one consists of several harmonics forming a short attosecond pulse train (APT) in the EUV regime (around 40 eV). We demonstrate that, (1) the auto-ionization process triggered by the EUV in cation carbon-monoxide and oxygen molecules can be modified by scanning the EUV-IR delay, (2) the phase information of quantum trajectories in bifurcated high harmonics can be extracted by performing an EUV-IR cross-correlation experiment, thus disclosing the macroscopic quantum control in HHG. The second type of high harmonic source

  2. Experimental investigations of atomic ordering effects in the epitaxial Ga{sub x}In{sub 1-x}P, coherently grown on GaAs (100) substrates

    Energy Technology Data Exchange (ETDEWEB)

    Seredin, P.V., E-mail: paul@phys.vsu.ru [Voronezh State University, Universitetskaya pl., 1, 394006 Voronezh (Russian Federation); Goloshchapov, D.L.; Khudyakov, Yu.Yu.; Lenshin, A.S.; Lukin, A.N. [Voronezh State University, Universitetskaya pl., 1, 394006 Voronezh (Russian Federation); Arsentyev, I.N., E-mail: arsentyev@mail.ioffe.ru [Ioffe Physical and Technical Institute, Polytekhnicheskaya, 26, 194021 St-Petersburg (Russian Federation); Prutskij, Tatiana, E-mail: prutskij@yahoo.com [Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, Privada 17 Norte, No 3417, Col San Miguel Hueyotlipan, 72050 Puebla, Puebla (Mexico)

    2017-03-15

    A range of structural and spectroscopic techniques were used for the study of the properties of epitaxial Ga{sub x}In{sub 1-x}P alloys with an ordered arrangement of atoms in a crystal lattice grown by MOCVD on single-crystalline substrates of GaAs (100). The appearance of atomic ordering in the coherent growth conditions of the ordered Ga{sub x}In{sub 1-x}P alloy on GaAs (100) resulted in cardinal changes of the structural and optical properties of semiconductor in comparison to disordered alloys, including the change of the crystal lattice parameter and, consequently, reduced crystal symmetry, decreased band gap and formation of two different types of surface nanorelief. This is the first report of the calculation of parameters of the crystal lattice in Ga{sub x}In{sub 1-x}P with ordering taking into account the elastic stresses dependent on long-range ordering. Based on the variance analysis data with regard to the IR-reflection spectra as well as the UV-spectroscopy data obtained in the transmission-reflection mode, the main optical characteristics of the ordered Ga{sub x}In{sub 1-x}P alloys were determined for the first time, namely, refractive index dispersion and high-frequency dielectric constant. All of the experimental results were in good agreement with the previously developed theoretical beliefs.

  3. Offsetting the difficulties of the molecular model of atomic collisions in the intermediate velocity range

    International Nuclear Information System (INIS)

    Errea, L.F.; Mendez, L.; Riera, A.

    1991-01-01

    To offset the defective behavior of the molecular method of atomic collisions at intermediate energies, we propose a method to approximate the probability flux towards continuum and discrete states not included in the molecular basis. We check the degree of accuracy and limitations of the method for a model case where transition probabilities can be calculated exactly. An application to the benchmark case of He + +H + collisions is also presented, and yields complementary information on the properties of this approach

  4. Resonance oscillations of nonreciprocal long-range van der Waals forces between atoms in electromagnetic fields

    Science.gov (United States)

    Sherkunov, Yury

    2018-03-01

    We study theoretically the van der Waals interaction between two atoms out of equilibrium with an isotropic electromagnetic field. We demonstrate that at large interatomic separations, the van der Waals forces are resonant, spatially oscillating, and nonreciprocal due to resonance absorption and emission of virtual photons. We suggest that the van der Waals forces can be controlled and manipulated by tuning the spectrum of artificially created random light.

  5. Path-Integral Monte Carlo Determination of the Fourth-Order Virial Coefficient for a Unitary Two-Component Fermi Gas with Zero-Range Interactions.

    Science.gov (United States)

    Yan, Yangqian; Blume, D

    2016-06-10

    The unitary equal-mass Fermi gas with zero-range interactions constitutes a paradigmatic model system that is relevant to atomic, condensed matter, nuclear, particle, and astrophysics. This work determines the fourth-order virial coefficient b_{4} of such a strongly interacting Fermi gas using a customized ab initio path-integral Monte Carlo (PIMC) algorithm. In contrast to earlier theoretical results, which disagreed on the sign and magnitude of b_{4}, our b_{4} agrees within error bars with the experimentally determined value, thereby resolving an ongoing literature debate. Utilizing a trap regulator, our PIMC approach determines the fourth-order virial coefficient by directly sampling the partition function. An on-the-fly antisymmetrization avoids the Thomas collapse and, combined with the use of the exact two-body zero-range propagator, establishes an efficient general means to treat small Fermi systems with zero-range interactions.

  6. Natural nano-structures on insects - possible functions of ordered arrays characterized by atomic force microscopy

    International Nuclear Information System (INIS)

    Watson, G.S.; Watson, J.A.

    2004-01-01

    Naturally occurring nano-structures is a much-neglected, but potentially rich, source of products that meet specifications imposed by natural selection. While the pharmaceutical industry has long recognized the value of natural compounds, the emerging industries based on nanotechnology have so far made little use of 'free' technology that has been 'invented' over evolutionary time-scales and driven by the imperatives of species survival. Ordered hexagonal packed array structures on cicada (e.g., Pflatoda claripennis) and termite (e.g., family Rhinotermitidae) wings have been investigated in this study. The spacings range from 200 to 1000 nm. The structures tend to have a rounded shape at the apex and protrude some 150-350 nm out from the surface plane. Wing structures with spacings at the lower end of the range are most likely optimized to serve as an anti-reflective coating (natural 'stealth technology') but may also act as a self-cleaning coating (the Lotus effect). Structures with spacings at the upper end of the range may provide mechanical strength to prevent load failure under flight and/or aid in the aerodynamic efficiency of the insect. This study demonstrates the multi-purpose design of natural structures

  7. Atomic scale studies of La/Sr ordering in La2-2xSr1+2xMn2O7 single crystals

    KAUST Repository

    Roldan, Manuel

    2016-12-21

    Many fascinating properties of materials depend strongly on the local chemical environment. This is the case for many complex oxides, such as materials with colossal magnetoresistance, where small variations of composition at the atomic scale can affect drastically the macroscopic properties. The main objective of the present work is to analyze the local chemical composition with atomic resolution and to find out if any underlying chemical order is in any way connected to the magnetic properties of double perovskite La2-2xSr1+2xMn2O7 (LSMO) manganite oxides. For these compounds, charge and orbital ordering are observed for some doping values near x = 0.50 [1, 2]. For this purpose, we have use aberration corrected scanning transmission electron microscopy (STEM) combined with electron energy-loss spectroscopy (EELS) measurements and also theoretical simulations. We have compared different compositions within three distinct magnetic regions of the phase diagram: a ferromagnetic metallic sample with x=0.36, an insulating, antiferromagnetic (AF) x=0.56 and an additional AF x=0.50 sample which also exhibits charge ordering. High angle annular dark-field (HAADF) images, also known as Z-contrast, confirm that our single crystals exhibit high crystal quality. No secondary phases or defects are observed. Figure 1 displays an atomic resolution image obtained with the c-axis perpendicular to the electron beam of a x=0.50 sample. The perovskite (P)-like planes and the rock salt (R)-like planes are clearly observed, highlighted in green and red, respectively, on the image. The P-like planes exhibit a slightly high contrast, suggesting a possible La enrichment. EELS atomic resolution maps (inset) support a high degree of La segregation on those planes, while R-like planes are Sr rich. However, due to dechanneling of the beam, detailed image simulations are essential to accurately quantify the local chemical composition in an atomic column-by-atomic column fashion. For all our

  8. Thermodynamics and long-range order of nitrogen in gamma'-Fe4N1-x

    NARCIS (Netherlands)

    Kooi, BJ; Somers, MAJ; Mittemeijer, EJ

    Models are given for the description of the chemical potential of nitrogen in gamma'-Fe4N1-x. In previous work, gamma'-Fe4N1-x was treated as a (sub)regular solution, thereby assuming that the N atoms are distributed randomly on the sites of their own sublattice. However, in gamma'-Fe4N1-x,

  9. Seismic-Acoustic Active Range Monitoring for Characterizing Low-Order Ordnance Detonation

    National Research Council Canada - National Science Library

    Anderson, Thomas S; Weale, Jason C

    2006-01-01

    .... The Distributed Sources focus area strives to characterize the level of contamination in range environments attributed to ordnance residue for the purpose of range management and environmental remediation...

  10. Development of ductile long-range ordered alloys for fusion reactor systems

    International Nuclear Information System (INIS)

    Liu, C.T.

    1979-01-01

    A series of Fe-base ordered alloys with compositions (Fe,Ni,Co) 3 V are developed for fusion reactor applications. The alloys from cubic ordered structure similar to AuCu 3 below their critical ordering temperature. The alloys in the ordered state are ductile with elongation in excess of 35% at room temperture. Tensile tests of the ordered alloys at elevated temperatures indicate an unusually attractive mechanical behavior. Their strength, instead of decreasing as with conventional alloys, increases with temperature because of ordering effects. As a result, the ordered alloys are much stronger than 316 stainless steel, particularly at elevated temperatures

  11. Dynamic magnetic susceptibility of systems with long-range magnetic order

    International Nuclear Information System (INIS)

    Vannette, Matthew Dano

    2009-01-01

    The utility of the TDR as an instrument in the study of magnetically ordered materials has been expanded beyond the simple demonstration purposes. Results of static applied magnetic field dependent measurements of the dynamic magnetic susceptibility, ?, of various ferromagnetic (FM) and antiferromagnetic (AFM) materials showing a range of transition temperatures (1-800 K) are presented. Data was collected primarily with a tunnel diode resonator (TDR) at different radio-frequencies (∼10-30 MHz). In the vicinity of TC local moment ferromagnets show a very sharp, narrow peak in ? which is suppressed in amplitude and shifted to higher temperatures as the static bias field is increased. Unexpectedly, critical scaling analysis fails for these data. It is seen that these data are frequency dependent, however there is no simple method whereby measurement frequency can be changed in a controllable fashion. In contrast, itinerant ferromagnets show a broad maximum in ? well below TC which is suppressed and shifts to lower temperatures as the dc bias field is increased. The data on itinerant ferromagnets is fitted to a semi-phenomenological model that suggests the sample response is dominated by the uncompensated minority spins in the conduction band. Concluding remarks suggest possible scenarios to achieve frequency resolved data using the TDR as well as other fields in which the apparatus may be exploited.

  12. The role of medium range order on phase transitions in chain silicates upon compression

    International Nuclear Information System (INIS)

    Serghiou, G; Chopelas, A; Boehler, R

    2004-01-01

    Raman spectroscopic measurements of the tetrahedrally coordinated crystal MnSiO 3 (rhodonite) in an argon pressure medium show that it becomes amorphous above 33 GPa. This observation consolidates our findings and explanation for the global structural trends exhibited by the extended chain silicate family AA'BO 3 (AA': Mg, Ca, Mn, Fe; B: Si) upon compression. In particular, crystals of this family are made of two types of building blocks coined P and C. Those crystals comprised solely of P blocks transform to dense higher coordinated crystalline phases; those comprised of P and C blocks, such as MnSiO 3 rhodonite, become amorphous; whereas those comprised solely of C blocks show both crystalline and amorphous regions upon compression. The reason that this medium range order length scale (building block scale) classification is correlated with the type of transitions taking place upon compression is due to the instability of C blocks and C-P interfaces with respect to P blocks and P-P interfaces at high pressures

  13. Application of long-range order to predict unfolding rates of two-state proteins.

    Science.gov (United States)

    Harihar, B; Selvaraj, S

    2011-03-01

    Predicting the experimental unfolding rates of two-state proteins and models describing the unfolding rates of these proteins is quite limited because of the complexity present in the unfolding mechanism and the lack of experimental unfolding data compared with folding data. In this work, 25 two-state proteins characterized by Maxwell et al. (Protein Sci 2005;14:602–616) using a consensus set of experimental conditions were taken, and the parameter long-range order (LRO) derived from their three-dimensional structures were related with their experimental unfolding rates ln(k(u)). From the total data set of 30 proteins used by Maxwell et al. (Protein Sci 2005;14:602–616), five slow-unfolding proteins with very low unfolding rates were considered to be outliers and were not included in our data set. Except all beta structural class, LRO of both the all-alpha and mixed-class proteins showed a strong inverse correlation of r = -0.99 and -0.88, respectively, with experimental ln(k(u)). LRO shows a correlation of -0.62 with experimental ln(k(u)) for all-beta proteins. For predicting the unfolding rates, a simple statistical method has been used and linear regression equations were developed for individual structural classes of proteins using LRO, and the results obtained showed a better agreement with experimental results. Copyright © 2010 Wiley-Liss, Inc.

  14. Long-Range Order and Fractality in the Structure and Organization of Eukaryotic Genomes

    Science.gov (United States)

    Polychronopoulos, Dimitris; Tsiagkas, Giannis; Athanasopoulou, Labrini; Sellis, Diamantis; Almirantis, Yannis

    2014-12-01

    The late Professor J.S. Nicolis always emphasized, both in his writings and in presentations and discussions with students and friends, the relevance of a dynamical systems approach to biology. In particular, viewing the genome as a "biological text" captures the dynamical character of both the evolution and function of the organisms in the form of correlations indicating the presence of a long-range order. This genomic structure can be expressed in forms reminiscent of natural languages and several temporal and spatial traces l by the functioning of dynamical systems: Zipf laws, self-similarity and fractality. Here we review several works of our group and recent unpublished results, focusing on the chromosomal distribution of biologically active genomic components: Genes and protein-coding segments, CpG islands, transposable elements belonging to all major classes and several types of conserved non-coding genomic elements. We report the systematic appearance of power-laws in the size distribution of the distances between elements belonging to each of these types of functional genomic elements. Moreover, fractality is also found in several cases, using box-counting and entropic scaling.We present here, for the first time in a unified way, an aggregative model of the genomic dynamics which can explain the observed patterns on the grounds of known phenomena accompanying genome evolution. Our results comply with recent findings about a "fractal globule" geometry of chromatin in the eukaryotic nucleus.

  15. Atomic Resolution Imaging of Nanoscale Structural Ordering in a Complex Metal Oxide Catalyst

    KAUST Repository

    Zhu, Yihan; Wang, Qingxiao; Zhao, Lan; Teng, Baiyang; Lu, Weimin; Han, Yu

    2012-01-01

    The determination of the atomic structure of a functional material is crucial to understanding its "structure-to-property" relationship (e.g., the active sites in a catalyst), which is however challenging if the structure possesses complex

  16. Get Your Atoms in Order--An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm.

    Science.gov (United States)

    Schneider, Nadine; Sayle, Roger A; Landrum, Gregory A

    2015-10-26

    Finding a canonical ordering of the atoms in a molecule is a prerequisite for generating a unique representation of the molecule. The canonicalization of a molecule is usually accomplished by applying some sort of graph relaxation algorithm, the most common of which is the Morgan algorithm. There are known issues with that algorithm that lead to noncanonical atom orderings as well as problems when it is applied to large molecules like proteins. Furthermore, each cheminformatics toolkit or software provides its own version of a canonical ordering, most based on unpublished algorithms, which also complicates the generation of a universal unique identifier for molecules. We present an alternative canonicalization approach that uses a standard stable-sorting algorithm instead of a Morgan-like index. Two new invariants that allow canonical ordering of molecules with dependent chirality as well as those with highly symmetrical cyclic graphs have been developed. The new approach proved to be robust and fast when tested on the 1.45 million compounds of the ChEMBL 20 data set in different scenarios like random renumbering of input atoms or SMILES round tripping. Our new algorithm is able to generate a canonical order of the atoms of protein molecules within a few milliseconds. The novel algorithm is implemented in the open-source cheminformatics toolkit RDKit. With this paper, we provide a reference Python implementation of the algorithm that could easily be integrated in any cheminformatics toolkit. This provides a first step toward a common standard for canonical atom ordering to generate a universal unique identifier for molecules other than InChI.

  17. Experimental investigation about attachment processes of atoms and ions in the size range < 0.1 μm

    International Nuclear Information System (INIS)

    Porstendoerfer, J.; Mercer, T.T.

    1977-01-01

    Results of an investigation of the attachment process of atoms and ion in the size range between 0.009 to 4 μm on a particle or droplet surface are presented. It is again shown that the experimental values are adequately predicted by the diffusion attachment theory under gas kinetic consideration, if the sticking probability of Rn and Tn decay products is S = 1. 12 references

  18. One-dimensional "atom" with zero-range potential perturbed by finite sequence of zero-duration laser pulses

    Science.gov (United States)

    Gusev, A. A.; Chuluunbaatar, O.; Popov, Yu. V.; Vinitsky, S. I.; Derbov, V. L.; Lovetskiy, K. P.

    2018-04-01

    The exactly soluble model of a train of zero-duration electromagnetic pulses interacting with a 1D atom with short-range interaction potential modelled by a δ-function is considered. The model is related to the up-to-date laser techniques providing the duration of pulses as short as a few attoseconds and the intensities higher than 1014 W/cm2.

  19. Atom probe field ion microscope study of the range and diffusivity of helium in tungsten

    International Nuclear Information System (INIS)

    Wagner, A.

    1978-08-01

    A time-of-flight (TOF) atom-probe field-ion microscope (FIM) specifically designed for the study of defects in metals is described. With this automated system 600 TOF min -1 can be recorded and analyzed. Performance tests of the instrument demonstrated that (1) the seven isotopes of molybdenum and the five isotopes of tungsten can be clearly resolved; and (2) the concentration and spatial distribution of all constitutents present at levels greater than 0.05 at. % in a W--25 at. % Re, Mo--1.0 at. % Ti, Mo--1.0 at. % Ti--0.08 at. % Zr (TZM), a low swelling stainless steel (LS1A) and a metallic glass (Metglas 2826) can be measured. The effect of the rate of field evaporation on the quantitative atom probe analysis of a Mo--1.0 at. % Ti alloy and a Mo--1.0 at. % Ti--0.08 at. % Zr alloy was investigated. As the field evaporation rate increased the measured Ti concentration was found to also increase. A simple qualitative model was proposed to explain the observation. The spatial distribution of titanium in a fast neutron irradiated Mo--1.0 at. % Ti alloy has been investigated. No evidence of Ti segregation to the voids was detected nor has any evidence of significant resolution of Ti from the TiC precipitates been detected. A small amount of segregation of carbon to a void was detected

  20. Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3.

    Science.gov (United States)

    Sánchez-Barriga, Jaime; Ogorodnikov, Ilya I; Kuznetsov, Mikhail V; Volykhov, Andrey A; Matsui, Fumihiko; Callaert, Carolien; Hadermann, Joke; Verbitskiy, Nikolay I; Koch, Roland J; Varykhalov, Andrei; Rader, Oliver; Yashina, Lada V

    2017-11-22

    To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi 2 Te 3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi 2 Te 3 at room temperature, the Fe atoms are ordered at the interface despite the surface disorder revealed by our scanning-tunneling microscopy images. We find that Fe occupies two different sites: a hollow adatom deeply relaxed into the Bi 2 Te 3 quintuple layers and an interstitial atom between the third (Te) and fourth (Bi) atomic layers. For both sites, our core-level photoemission spectra and density-functional theory calculations demonstrate simultaneous chemical bonding of Fe to both Te and Bi atoms. We further show that upon deposition of Fe up to a thickness of 20 nm, the Fe atoms penetrate deeper into the bulk forming a 2-5 nm interface layer containing FeTe. In addition, excessive Bi is pushed down into the bulk of Bi 2 Te 3 leading to the formation of septuple layers of Bi 3 Te 4 within a distance of ∼25 nm from the interface. Controlling the magnetic properties of the complex interface structures revealed by our work will be of critical importance when optimizing the efficiency of spin injection in TI-based devices.

  1. Short and medium range order in two-component silica glasses by positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Inoue, K.; Kataoka, H.; Nagai, Y.; Hasegawa, M.; Kobayashi, Y.

    2014-01-01

    The dependence of chemical composition on the average sizes of subnanometer-scale intrinsic structural open spaces surrounded by glass random networks in two-component silica-based glasses was investigated systematically using positronium (Ps) confined in the open spaces. The average sizes of the open spaces for SiO 2 -B 2 O 3 and SiO 2 -GeO 2 glasses are only slightly dependent on the chemical compositions because the B 2 O 3 and GeO 2 are glass network formers that are incorporated into the glass network of the base SiO 2 . However, the open space sizes for all SiO 2 -R 2 O (R = Li, Na, K) glasses, where R 2 O is a glass network modifier that occupies the open spaces, decrease rapidly with an increase in the R 2 O concentration. Despite the large difference in the ionic radii of the alkali metal (R) atoms, the open space sizes decrease similarly for all the alkali metal atoms studied. This dependence of the chemical composition on the open space sizes in SiO 2 -R 2 O observed by Ps shows that the alkali metal atoms do not randomly occupy the structural open spaces, but filling of the open spaces by R 2 O proceeds selectively from the larger to the smaller open spaces as the R 2 O concentrations are increased.

  2. Application of long-range ordering in the synthesis of a nanoscale Ni2 (Cr,Mo) superlattice with high strength and high ductility

    International Nuclear Information System (INIS)

    Tawancy, H.M.; Aboelfotoh, M.O.

    2009-01-01

    We demonstrate that bulk nanoscale materials with high strength and high ductility can be synthesized by using long-range ordering in certain alloy systems. In the case of a Ni-18.6 atomic % Mo-15.1 atomic % Cr, a bulk nanoscale superlattice of Ni 2 (Cr,Mo) isomorphous with Pt 2 Mo has been synthesized by thermal aging at 700 deg. C. The superlattice is shown to have high strength and high ductility as well as high thermal stability. Although the yield strength is nearly doubled in the ordered state exceeding 800 MPa, the material is found to maintain about 70% of its initial tensile ductility corresponding to 42% engineering strain. This behavior has been related to the crystallography of the ordering transformation. Although most of the slip systems of the parent face-centered cubic lattice are suppressed by ordering, most of the twinning systems remain energetically favorable. Therefore, deformation in the ordered state is found to predominantly occur by twinning rather than by slip giving rise to the observed combination of high strength and high ductility

  3. Application of long-range ordering in the synthesis of a nanoscale Ni{sub 2} (Cr,Mo) superlattice with high strength and high ductility

    Energy Technology Data Exchange (ETDEWEB)

    Tawancy, H.M. [Center for Engineering Research, Research Institute, King Fahd University of Petroleum and Minerals, P.O. Box 1639, Dhahran 31261 (Saudi Arabia)], E-mail: tawancy@kfupm.edu.sa; Aboelfotoh, M.O. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7909 (United States)

    2009-01-25

    We demonstrate that bulk nanoscale materials with high strength and high ductility can be synthesized by using long-range ordering in certain alloy systems. In the case of a Ni-18.6 atomic % Mo-15.1 atomic % Cr, a bulk nanoscale superlattice of Ni{sub 2}(Cr,Mo) isomorphous with Pt{sub 2}Mo has been synthesized by thermal aging at 700 deg. C. The superlattice is shown to have high strength and high ductility as well as high thermal stability. Although the yield strength is nearly doubled in the ordered state exceeding 800 MPa, the material is found to maintain about 70% of its initial tensile ductility corresponding to 42% engineering strain. This behavior has been related to the crystallography of the ordering transformation. Although most of the slip systems of the parent face-centered cubic lattice are suppressed by ordering, most of the twinning systems remain energetically favorable. Therefore, deformation in the ordered state is found to predominantly occur by twinning rather than by slip giving rise to the observed combination of high strength and high ductility.

  4. Short-Range-Order Mineral Physical Protection On Black Carbon Stabilization

    Science.gov (United States)

    Liang, B.; Weng, Y. T.; Wang, C. C.; Song, Y. F.; Lehmann, J.; Wang, C. H.

    2015-12-01

    Soil organic matter is one of the largest reservoirs in global carbon cycle, and black carbon (BC) represents a chemical resistant component. Black C plays an important role in global climate change. Generally considered recalcitrant due to high aromaticity, the reactive surface and functional groups of BC are crucial for carbon sequestration in soils. Mineral sorption and physical protection is an important mechanism for BC long term stabilization and sequestration in environments. Previous studies on mineral protection of BC were limited to analysis techniques in two-dimensions, for example, by SEM, TEM, and NanoSIMS. Little is known about the scope of organo-mineral association, the in-situ distribution and forms of minerals, and the ultimate interplay of BC and minerals. The aim of this study is to investigate the three-dimensional interaction of organic C and minerals in submicron scale using synchrotron-based Transmission X-ray Microcopy (TXM) and Fourier-Transform Infrared Spectroscopy (FTIR). Abundant poorly-crystallined nano-minerals particles were observed. These short-range-order (SRO) minerals also aggregate into clusters and sheets, and form envelops-like structures on the surface of BC. On top of large surface contact area, the intimate interplay between BC and minerals reinforces the stability of both organic C and minerals, resulting from chemical bonding through cation bridging and ligand exchange. The mineral protection enhances BC stabilization and sequestration and lowers its bioavailability in environment. The results suggest that mineral physical protection for BC sequestration may be more important than previous understanding.

  5. Fungal biomineralization of montmorillonite and goethite to short-range-ordered minerals

    Science.gov (United States)

    Li, Huan; Hu, Shuijin; Polizzotto, Matthew L.; Chang, Xiaoli; Shen, Qirong; Ran, Wei; Yu, Guanghui

    2016-10-01

    Highly reactive nano-scale minerals, e.g., short-range-ordered minerals (SROs) and other nanoparticles, play an important role in soil carbon (C) retention. Yet, the mechanisms that govern biomineralization from bulk minerals to highly reactive nano-scale minerals remain largely unexplored, which critically hinders our efforts toward managing nano-scale minerals for soil C retention. Here we report the results from a study that explores structural changes during Aspergillus fumigatus Z5 transformation of montmorillonite and goethite to SROs. We examined the morphology and structure of nano-scale minerals, using high-resolution transmission electron microscopy, time-resolved solid-state 27Al and 29Si NMR, and Fe K-edge X-ray absorption fine structure spectroscopy combined with two dimensional correlation spectroscopy (2D COS) analysis. Our results showed that after a 48-h cultivation of montmorillonite and goethite with Z5, new biogenic intracellular and extracellular reactive nano-scale minerals with a size of 3-5 nm became abundant. Analysis of 2D COS further suggested that montmorillonite and goethite were the precursors of the dominant biogenic nano-scale minerals. Carbon 1s near edge X-ray absorption fine structure (NEXAFS) spectra and their deconvolution results demonstrated that during fungus Z5 growth, carboxylic C (288.4-289.1 eV) was the dominant organic group, accounting for approximately 34% and 59% in the medium and aggregates, respectively. This result suggested that high percentage of the production of organic acids during the growth of Z5 was the driving factor for structural changes during biomineralization. This is, to the best of our knowledge, the first report of the structural characterization of nano-scale minerals by 2D COS, highlighting its potential to elucidate biomineralization pathways and thus identify the precursors of nano-scale minerals.

  6. Observation of hidden atomic order at the interface between Fe and topological insulator Bi_{2}Te_{3}

    OpenAIRE

    Sanchez-Barriga, Jaime; Ogorodnikov, Ilya I.; Kuznetsov, Mikhail V.; Volykhov, Andrey A.; Matsui, Fumihiko; Callaert, Carolien; Hadermann, Joke; Verbitskiy, Nikolay I.; Koch, Roland J.; Varykhalov, Andrei; Rader, Oliver; Yashina, Lada V.

    2017-01-01

    Abstract: To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi2Te3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi2Te3 at room temperature, the Fe atoms are ordered at the interface despite the surface diso...

  7. Structure of ordered polyelectrolyte films from atomic-force microscopy and X-ray reflectivity data

    International Nuclear Information System (INIS)

    Belyaev, V.V.; Tolstikhina, A.L.; Stepina, N.D.; Kayushina, R.L.

    1998-01-01

    The possible application of atomic-force microscopy and X-ray reflectometry methods to structural studies of polyelectrolyte films obtained due to alternating adsorption of oppositely charged polyanion [sodium polysterenesulfonate (PSS)] and polycation [poly(allylamine) hydrochloride (PAA)] layers on solid substrates has been considered. The atomic-force microscopy study has revealed the characteristic features of the surface topography of samples consisting of different numbers of polyelectrolyte layers deposited from solutions characterized by different ionic strength values. It is shown that the shape of the reflectivity curves obtained from thin polyelectrolyte films depends on their surface structure

  8. Experimental observations of transient phases during long-range ordering to Ni4Mo in a Ni-Mo-Fe-Cr alloy

    International Nuclear Information System (INIS)

    Tawancy, H.M.; Aboelfotoh, M.O.

    1987-01-01

    Experimental observations are reported of transient phases which form during long-range ordering to Ni 4 Mo (f.c.c. → Dl/sub a/ superlattice) in the quaternary alloy Ni-19.2 at% Mo-1.2 at% Fe-1.06 at% Cr using electron diffraction. In the early stages of ordering during isothermal annealing, diffuse intensity maxima centered at the short-range order reflections (1 1/2 O)/sub f.c.c./ and along /sub f.c.c./ directions are observed. Subsequently, a DO 22 superlattice is generated from the short-range order state. The coexistence of the DO 22 , Pt 2 Mo-type, and Dl/sub a/ superlattices is observed in this alloy system which indicates that these three superlattices have similar energy. With continued annealing, both the DO 22 and Pt 2 Mo-type superlattices have similar energy. With continued annealing, both the DO 22 and Pt 2 Mo-type superlattices disappear, indicating that they are transient phases. These results are not inconsistent with the theoretical treatments of ordered alloys which are based on an Ising model with pairwise atomic interactions. (author)

  9. Short Range-Ordered Minerals: Insight into Aqueous Alteration Processes on Mars

    Science.gov (United States)

    Ming, Douglas W.; Morris, R. V.; Golden, D. C.

    2011-01-01

    Short range-ordered (SRO) aluminosilicates (e.g., allophane) and nanophase ferric oxides (npOx) are common SRO minerals derived during aqueous alteration of basaltic materials. NpOx refers to poorly crystalline or amorphous alteration products that can be any combination of superparamagnetic hematite and/or goethite, akaganeite, schwertmannite, ferrihydrite, iddingsite, and nanometer-sized ferric oxide particles that pigment palagonitic tephra. Nearly 30 years ago, SRO phases were suggested as alteration phases on Mars based on similar spectral properties for altered basaltic tephra on the slopes of Mauna Kea in Hawaii and Martian bright regions measured by Earth-based telescopes. Detailed characterization of altered basaltic tephra on Mauna Kea have identified a variety of alteration phases including allophane, npOx, hisingerite, jarosite, alunite, hematite, goethite, ferrihydrite, halloysite, kaolinite, smectite, and zeolites. The presence of npOx and other Fe-bearing minerals (jarosite, hematite, goethite) was confirmed by the M ssbauer Spectrometer onboard the Mars Exploration Rovers. Although the presence of allophane has not been definitely identified on Mars robotic missions, chemical analysis by the Spirit and Opportunity rovers and thermal infrared spectral orbital measurements suggest the presence of allophane or allophane-like phases on Mars. SRO phases form under a variety of environmental conditions on Earth ranging from cold and arid to warm and humid, including hydrothermal conditions. The formation of SRO aluminosilicates such as allophane (and crystalline halloysite) from basaltic material is controlled by several key factors including activity of water, extent of leaching, Si activity in solution, and available Al. Generally, a low leaching index (e.g., wet-dry cycles) and slightly acidic to alkaline conditions are necessary. NpOx generally form under aqueous oxidative weathering conditions, although thermal oxidative alteration may occasional be

  10. Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel

    Energy Technology Data Exchange (ETDEWEB)

    Rebolini, Elisa, E-mail: elisa.rebolini@kjemi.uio.no; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr [Laboratoire de Chimie Théorique, Sorbonne Universités, UPMC Univ Paris 06, CNRS, 4 place Jussieu, F-75005 Paris (France)

    2016-03-07

    We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel and a frequency-dependent second-order Bethe-Salpeter approximation for the long-range response kernel. This approach goes beyond the adiabatic approximation usually used in linear-response TDDFT and aims at improving the accuracy of calculations of electronic excitation energies of molecular systems. A detailed derivation of the frequency-dependent second-order Bethe-Salpeter correlation kernel is given using many-body Green-function theory. Preliminary tests of this range-separated TDDFT method are presented for the calculation of excitation energies of the He and Be atoms and small molecules (H{sub 2}, N{sub 2}, CO{sub 2}, H{sub 2}CO, and C{sub 2}H{sub 4}). The results suggest that the addition of the long-range second-order Bethe-Salpeter correlation kernel overall slightly improves the excitation energies.

  11. Relation between Feynman Cycles and Off-Diagonal Long-Range Order

    International Nuclear Information System (INIS)

    Ueltschi, Daniel

    2006-01-01

    The usual order parameter for Bose-Einstein condensation involves the off-diagonal correlation function of Penrose and Onsager, but an alternative is Feynman's notion of infinite cycles. We present a formula that relates both order parameters. We discuss its validity with the help of rigorous results and heuristic arguments. The conclusion is that infinite cycles do not always represent the Bose condensate

  12. Local order dynamics: its application to the study of atomic mobility, of point defects in crystalline alloys, and of structural relaxation in amorphous alloys

    International Nuclear Information System (INIS)

    Balanzat, Emmanuel

    1983-01-01

    This research thesis addressed the study of the atomic mobility mechanism and of the atom movement dynamics in the case of crystalline alloys and of amorphous alloys. The first part is based on a previous study performed on an α-Cu 70 -Zn 30 crystalline alloy, and addresses the case of an α-Au 70 -Ni 30 alloy. The specificity of this case relies in the fact that the considered solid solution is metastable and susceptible to de-mixing in the considered temperature range. This case of off-equilibrium crystalline alloy is at the crossroad between steady crystalline alloys and metallic glasses which are studied in the second part. The third part addresses the irradiation of metallic amorphous alloys by fast particles (neutrons or electrons). The author tried to characterise atomic defects induced by irradiation and to compare them with pre-existing ones. He studied how these defects may change atomic mobility, and, more generally, to which extent the impact of energetic particles could modify local order status

  13. Nanoscale structural order from the atomic pair distribution function (PDF): There's plenty of room in the middle

    International Nuclear Information System (INIS)

    Billinge, Simon J.L.

    2008-01-01

    Emerging materials of scientific and technological interest are generally complex and often nanostructured: they have atomic orderings that extend on nanometer length-scales. These can be discrete nanoparticles; bulk crystals with nanoscale chemical or displacive order within them; mesoporous materials that are bulk materials containing nanoscale holes; and nanocomposites that are intimate heterogeneous mixtures of nano-sized constituents. As always, a quantitative knowledge of the atomic structure within these materials is a prerequisite to understanding and engineering their properties. Traditional crystallographic methods for obtaining this information break down at the nanoscale, sometimes referred to as 'the nanostructure problem'. We describe here some emerging methods for studying nanoscale structure. We present some examples of recent successes. Finally, we discuss future directions and opportunities and draw attention to limitations and potential problems. -

  14. Enss' theory in long range scattering: Second order hyperbolic and parabolic operators

    International Nuclear Information System (INIS)

    Muthuramalingam, P.

    1984-01-01

    We prove asymptotic completeness using Enss' method for h 0 (P)+Wsub(S)(Q)+Wsub(L)(Q) where h 0 :Rsup(n) -> R is a polynomial of degree 2 with lim vertical strokeh 0 (zeta)vertical stroke +/nabla h 0 (zeta)vertical stroke = infinite, Wsub(S) a short range potential and Wsub(L) a smooth long range potential. (orig.)

  15. Study of short range order in alloy of glassy metals and effect of neutron irradiation on them

    International Nuclear Information System (INIS)

    Habibi, S.; Banaee, N.; Salman, M.; Gupta, A.; Principi, G.

    2000-04-01

    In this paper, we have studied a series of glassy metals with composition Fe 78-x Ni x Si 8 B 14 with x=0, 15, 25,38,53, 58. We have used Moessbauer spectroscopy to get information about short range order and local structure in these alloys. The specimens are exposed to neutron irradiation to perturb local structure and their short range order. The hyperfine parameters obtained from spectra before and after n-irradiation and are compared

  16. Atomic Energy Commission reports. Volume 6. Opinions and decisions of the Atomic Energy Commission with selected orders, January 1, 1973 to December 31, 1973

    International Nuclear Information System (INIS)

    1974-01-01

    Issuances of the Atomic Energy Commission, the Atomic Safety and Licensing Appeal Boards, the Atomic Safety and Licensing Boards, and the Board of Contract Appeals including the Contract Adjustment Board are presented. (U.S.)

  17. Influence of atomic ordering on sigma phase precipitation of the Fe{sub 50}Cr{sub 50} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Vélez, G.Y., E-mail: g.y.velezcastillo@gmail.com [Universidad del Valle, Departamento de Física, A.A. 25360 Cali (Colombia); Instituto de Física, Universidad Autónoma de San Luis Potosí, avenida Manuel Nava 6, zona universitaria, 78290 San Luis Potosí, SLP México (Mexico); Pérez Alcázar, G.A. [Universidad del Valle, Departamento de Física, A.A. 25360 Cali (Colombia)

    2015-09-25

    Highlights: • σ-FeCr phase can be delayed when α-FeCr phase is ordered. • The formation of σ phase is favored by concentration gradients of α phase. • We determine the iron occupation number of the five sites of σ-Fe{sub 50}Cr{sub 50}. - Abstract: In this work we report a study of the kinetic of the formation of the σ-Fe{sub 50}Cr{sub 50} alloy which is obtained by heat treatment of α-FeCr samples with different atomic ordering. Two α-FeCr alloys were obtained, one by mechanical alloying and the other by arc-melting. Both alloys were heated at 925 K for 170 h and then quenched into ice water. Before heat treatment both alloys exhibit α-FeCr disordered structure with greater ferromagnetic behavior in the alloy obtained by mechanical alloying due to its higher atomic disorder. The sigma phase precipitation is influenced by the atomic ordering of the bcc samples: in the alloy obtained by mechanical alloying, the bcc phase is completely transformed into the σ phase; in the alloy obtained by melted the α–σ transformation is partial.

  18. Design and control of multi-actuated atomic force microscope for large-range and high-speed imaging

    Energy Technology Data Exchange (ETDEWEB)

    Soltani Bozchalooi, I.; Careaga Houck, A. [Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); AlGhamdi, J. [Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Department of Chemistry, College of Science, University of Dammam, Dammam (Saudi Arabia); Youcef-Toumi, K. [Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States)

    2016-01-15

    This paper presents the design and control of a high-speed and large-range atomic force microscopy (AFM). A multi-actuation scheme is proposed where several nano-positioners cooperate to achieve the range and speed requirements. A simple data-based control design methodology is presented to effectively operate the AFM scanner components. The proposed controllers compensate for the coupled dynamics and divide the positioning responsibilities between the scanner components. As a result, the multi-actuated scanner behavior is equivalent to that of a single X–Y–Z positioner with large range and high speed. The scanner of the designed AFM is composed of five nano-positioners, features 6 μm out-of-plane and 120 μm lateral ranges and is capable of high-speed operation. The presented AFM has a modular design with laser spot size of 3.5 μm suitable for small cantilever, an optical view of the sample and probe, a conveniently large waterproof sample stage and a 20 MHz data throughput for high resolution image acquisition at high imaging speeds. This AFM is used to visualize etching of calcite in a solution of sulfuric acid. Layer-by-layer dissolution and pit formation along the crystalline lines in a low pH environment is observed in real time. - Highlights: • High-speed AFM imaging is extended to large lateral and vertical scan ranges. • A general multi-actuation approach to atomic force microscopy is presented. • A high-speed AFM is designed and implemented based on the proposed method. • Multi-actuator control is designed auxiliary to a PID unit to maintain flexibility. • Influence of calcite crystal structure on dissolution is visualized in video form.

  19. On the long-range order of Lieb-Mattis model of quantum antiferromagnet

    International Nuclear Information System (INIS)

    Gochev, I.G.; Tonchev, N.S.

    1991-09-01

    The spontaneous magnetization m and the root-mean-square order parameter m 0 of the Lieb-Mattis model for arbitrary temperature and spin values s are obtained. For the ratio r(T,s)=m/m 0 the value r(T,s)=√3 is found. (author). 8 refs

  20. Specific heat and magnetic susceptibility vs long range order in V3Ga

    International Nuclear Information System (INIS)

    Junod, A.; Fluekiger, R.; Treyvaud, A.; Muller, J.

    1976-01-01

    A new technique of studying the magnetic susceptibility together with the specific heat and the superconducting transition of typical A15-type compounds in different ordering states enables us to consistently isolate the spin paramagnetism. Satisfactory results are obtained for V 3 Ga and these are compared with data on V 3 Au and Nb 3 (Au-Pt). (author)

  1. Atomic-scale simulation study of some bulk and interfacial properties of iron aluminium ordered alloys

    International Nuclear Information System (INIS)

    Besson, Remy

    1997-01-01

    A semi-empirical potential was designed for B 2 and DO 3 iron aluminides and used to study point defects and grain boundaries in these compounds. At low temperature, departure from B 2 stoichiometry is accommodated with antisite defects; when T increases, iron vacancies appear and defects have a trend to form clusters, the structure of which is very sensitive to this departure. Our calculations, relying on T = 0 K formation energies, predict the nature of major defects, but lead to underestimated quantitative results, which may point out the essential role of atomic vibrations. In the stoichiometric B 2 compound, the diffusion of both species is induced by four-jump cycles involving iron vacancies. Although the agreement between our calculated activation energies and other experiments is good, the calculated diffusion coefficients are below the experimental ones. Here again, this discrepancy may be put down to the overlooking of phonon contributions. The second application concerns the atomic structures of the [001] (310) symmetric tilt grain boundary in the B 2 and DO 3 compounds. At low temperature, in the stoichiometric B 2 compound, we obtain an iron-rich single stable structure (pseudo-symmetric), whose structure is strongly influenced by the bulk composition (with intergranular segregation of the major element). In the stoichiometric DO 3 compound, many energetically equivalent structures exist, all being systematically aluminium-rich. The study of the B 2 grain boundary structure at high temperature shows a phase transition favouring a symmetric structure. Its high excess energy at low temperature emphasizes the influence of atomic vibrations in the interfacial properties of B 2 Fe-Al compounds. (author) [fr

  2. Chirp analysis of high-order harmonics from atoms driven by intense femtosecond laser pulses

    International Nuclear Information System (INIS)

    Kim, Hyung Taek; Kim, I Jong; Hong, Kyung-Han; Lee, Dong Gun; Kim, Jung-Hoon; Nam, Chang Hee

    2004-01-01

    The spectral structure of harmonics was experimentally controlled by changing the chirp of femtosecond laser pulses, and the dependence of harmonic chirp on atomic species was analysed using harmonics from neon and helium. Experimental results and theoretical analysis based on the Wigner distribution function showed that the spectral structure varied sensitively to laser chirp and the harmonic chirp was determined by the competition between dynamically induced negative chirp and self-phase modulation induced positive chirp. The generation of sharp and bright harmonics was achieved with appropriately chirped laser pulses under given experimental conditions, especially negatively chirped pulses in the case of laser intensity above the saturation intensity for optical-field ionization

  3. Preparing and probing atomic Majorana fermions and topological order in optical lattices

    International Nuclear Information System (INIS)

    Kraus, C V; Diehl, S; Zoller, P; Baranov, M A

    2012-01-01

    We introduce a one-dimensional system of fermionic atoms in an optical lattice whose phase diagram includes topological states of different symmetry classes with a simple possibility to switch between them. The states and topological phase transitions between them can be identified by looking at their zero-energy edge modes which are Majorana fermions. We propose several universal methods of detecting the Majorana edge states, based on their genuine features: the zero-energy, localized character of the wave functions and the induced non-local fermionic correlations. (paper)

  4. Effects of short-range order on electronic properties of Zr-Ni glasses as seen from low-temperature specific heat

    International Nuclear Information System (INIS)

    Kroeger, D.M.; Koch, C.C.; Scarbrough, J.O.; McKamey, C.G.

    1984-01-01

    Measurements of the low-temperature specific heat C/sub p/ of liquid-quenched Zr-Ni glasses for a large number of compositions in the range from 55 to 74 at. % Zr revealed an unusual composition dependence of the density of states at the Fermi level, N(E/sub F/). Furthermore, for some compositions the variation of C/sub p/ near the superconducting transition temperature T/sub c/ indicated the presence of two superconducting phases, i.e., two superconducting transitions were detected. Comparison of the individual T/sub c/'s in phase-separated samples to the composition dependence of T/sub c/ for all of the samples suggests that amorphous phases with compositions near 60 and 66.7 at. % Zr occur. We discuss these results in terms of an ''association model'' for liquid alloys (due to Sommer), in which associations of unlike atoms with definite stoichiometries are assumed to exist in equilibrium with unassociated atoms. We conclude that in the composition range studied, associate clusters with the compositions Zr 3 Ni 2 and Zr 2 Ni occur. In only a few cases are the clusters sufficiently large, compared with the superconducting coherence length, for separate superconducting transitions to be observed. The variation of N(E/sub F/) with composition is discussed, as well as the effects of this chemical short-range ordering on the crystallization behavior and glass-forming tendency

  5. Effects of short-range order on electronic properties of Zr-Ni glasses as seen from low-temperature specific heat

    Science.gov (United States)

    Kroeger, D. M.; Koch, C. C.; Scarbrough, J. O.; McKamey, C. G.

    1984-02-01

    Measurements of the low-temperature specific heat Cp of liquid-quenched Zr-Ni glasses for a large number of compositions in the range from 55 to 74 at.% Zr revealed an unusual composition dependence of the density of states at the Fermi level, N(EF). Furthermore, for some compositions the variation of Cp near the superconducting transition temperature Tc indicated the presence of two superconducting phases, i.e., two superconducting transitions were detected. Comparison of the individual Tc's in phase-separated samples to the composition dependence of Tc for all of the samples suggests that amorphous phases with compositions near 60 and 66.7 at.% Zr occur. We discuss these results in terms of an "association model" for liquid alloys (due to Sommer), in which associations of unlike atoms with definite stoichiometries are assumed to exist in equilibrium with unassociated atoms. We conclude that in the composition range studied, associate clusters with the compositions Zr3Ni2 and Zr2Ni occur. In only a few cases are the clusters sufficiently large, compared with the superconducting coherence length, for separate superconducting transitions to be observed. The variation of N(EF) with composition is discussed, as well as the effects of this chemical short-range ordering on the crystallization behavior and glass-forming tendency.

  6. Octacyanoniobate(IV)-based molecular magnets revealing 3D long-range order

    Energy Technology Data Exchange (ETDEWEB)

    Pelka, R; Balanda, M [Institute of Physics PAN, Radzikowskiego 152, 31-342, Krakow (Poland); Pinkowicz, D; Drath, O; Nitek, W; Sieklucka, B [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Rams, M; Majcher, A, E-mail: robert.pelka@ifj.edu.pl [Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland)

    2011-07-06

    Isostructural series of chemical formula {l_brace}[M{sup II}(pirazol){sub 4}]{sub 2}[Nb{sup IV}(CN){sub 8}]{center_dot} 4H{sub 2}O{r_brace}{sub n} (M{sup II} = Mn (1), Fe (2), Co (3), Ni (4)) has been obtained by the self-assembly technique. Its unique crystallographic structure consists in the formation of a 3D extended network of magnetic centers braced by geometrically identical cyanido bridges. Magnetic measurements reveal the transitions to the 3D order at temperatures 23.7, 8.3, 5.9, 13.4 K for 1, 2, 3, and 4, respectively. The character of order is demonstrated to be ferrimagnetic for 1 and 2 and ferromagnetic for 3 and 4. The mean-field approach is used to determine the corresponding exchange coupling constants. The observed interactions are discussed within the magnetic orbital model.

  7. Octacyanoniobate(IV)-based molecular magnets revealing 3D long-range order

    International Nuclear Information System (INIS)

    Pelka, R; Balanda, M; Pinkowicz, D; Drath, O; Nitek, W; Sieklucka, B; Rams, M; Majcher, A

    2011-01-01

    Isostructural series of chemical formula {[M II (pirazol) 4 ] 2 [Nb IV (CN) 8 ]· 4H 2 O} n (M II = Mn (1), Fe (2), Co (3), Ni (4)) has been obtained by the self-assembly technique. Its unique crystallographic structure consists in the formation of a 3D extended network of magnetic centers braced by geometrically identical cyanido bridges. Magnetic measurements reveal the transitions to the 3D order at temperatures 23.7, 8.3, 5.9, 13.4 K for 1, 2, 3, and 4, respectively. The character of order is demonstrated to be ferrimagnetic for 1 and 2 and ferromagnetic for 3 and 4. The mean-field approach is used to determine the corresponding exchange coupling constants. The observed interactions are discussed within the magnetic orbital model.

  8. Octacyanoniobate(IV)-based molecular magnets revealing 3D long-range order

    Science.gov (United States)

    Pełka, R.; Pinkowicz, D.; Drath, O.; Bałanda, M.; Rams, M.; Majcher, A.; Nitek, W.; Sieklucka, B.

    2011-07-01

    Isostructural series of chemical formula {[MII(pirazol)4]2[NbIV(CN)8]· 4H2O}n (MII = Mn (1), Fe (2), Co (3), Ni (4)) has been obtained by the self-assembly technique. Its unique crystallographic structure consists in the formation of a 3D extended network of magnetic centers braced by geometrically identical cyanido bridges. Magnetic measurements reveal the transitions to the 3D order at temperatures 23.7, 8.3, 5.9, 13.4 K for 1, 2, 3, and 4, respectively. The character of order is demonstrated to be ferrimagnetic for 1 and 2 and ferromagnetic for 3 and 4. The mean-field approach is used to determine the corresponding exchange coupling constants. The observed interactions are discussed within the magnetic orbital model.

  9. Ordered and Unordered Top-K Range Reporting in Large Data Sets

    DEFF Research Database (Denmark)

    Afshani, Peyman; Brodal, Gerth Stølting; Zeh, Norbert

    2011-01-01

    We study the following problem: Given an array A storing N real numbers, preprocess it to allow fast reporting of the K smallest elements in the subarray A[i, j] in sorted order, for any triple (i, j,K) with 1 ≤ i ≤ j ≤ N and 1 ≤ K ≤ j − i + 1. We are interested in scenarios where the array A is ...

  10. On the number of free energy extremums of a solid solution with two long-range order parameters

    International Nuclear Information System (INIS)

    Dateshidze, N.A.; Ratishvili, I.G.

    1977-01-01

    The free energy of ordering f.c.c. lattice solid solution is investigated. The ordering is regarded as homogeneous in the whole bulk of the crystal (i.e. resistant towards formation of antiphase domains). It is described by one of the appropriate distribution functions which contains two long-range order parameters. The calculations have revealed the extrema of the free energy function, and their shape and behaviour upon variations of temperature are analyzed. It is shown that under certain circumstances the system can display more than one minimum of free energy within the ordered phase

  11. Long range order and hydrogen bonding in liquid methanol: A Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Shilov, I.Y.; Rode, B.M. [Department of Theoretical Chemistry, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck (Austria); Durov, V.A. [Department of Physical Chemistry, Faculty of Chemistry, Lomonosov Moscow State University, Moscow (Russian Federation)

    1999-02-01

    A Monte Carlo simulation of liquid methanol was performed in NVT ensemble at 298 K using a cubic simulation box containing 500 molecules. Long-range correlations in the liquid are discussed on the basis of site-site radial distribution functions. Hydrogen bonding and topological structure of the methanol aggregates were evaluated in detail, namely the number of linked molecules, formation of branches and cyclic structures. The necessity of larger simulation boxes for a full structural description and thermodynamic characterization of hydrogen-bonded liquids is clearly established by the results. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  12. Direct Atomic Scale Observation of the Structure and Chemistry of Order/Disorder Interfaces

    National Research Council Canada - National Science Library

    Srinivasan, R; Banerjee, R; Hwang, J. Y; Viswanathan, G. B; Tiley, J; Fraser, H. L

    2008-01-01

    ... distributed ordered intermetallic precipitates within a disordered matrix. The structure and chemistry at the precipitate/matrix interface plays a critical role in determining the effectiveness of the strengthening mechanism...

  13. Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

    Energy Technology Data Exchange (ETDEWEB)

    Finzel, Kati, E-mail: kati.finzel@liu.se [Linköpings University, IFM Department of Physics, 58183 Linköping (Sweden)

    2016-01-21

    The local conditions for the Pauli potential that are necessary in order to yield self-consistent electron densities from orbital-free calculations are investigated for approximations that are expressed with the help of a local position variable. It is shown that those local conditions also apply when the Pauli potential is given in terms of the electron density. An explicit formula for the Ne atom is given, preserving the local conditions during the iterative procedure. The resulting orbital-free electron density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham electron density. This study demonstrates that it is possible to obtain self-consistent orbital-free electron densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at local density level.

  14. Short-range order parameters in amorphous YBaS4X7(X-S, SE, TE) films

    International Nuclear Information System (INIS)

    Hajiyev, E.S.

    2005-01-01

    Full text : Electron scattering intensity curves from amorphous YbAs 4 X 7 (X-S, SE, TE) films have ben obtained by the transmission electron diffraction (TED) method with rotation sector before screen up. The energy of electrons was 100 keV. Amorphous samples were crystallized and the composition of the products were measured by TED. The atomic radial distribution function has been calculated by the Fourier synthesis of intensities in the TED of amorphous YbAs 4 X 7 (X-S, SE, TE) films. The interatomic average distances of As - S (Se, Te) and As-Yb + 2 and partial coordination numbers have been estimated in these thilms. Based on these numbers, chemical orders in these films differ. This difference is due to differing topological order in the amorphous YbAs 4 X 7 (X-S, SE, TE) films

  15. Higher-order glass-transition singularities in systems with short-ranged attractive potentials

    International Nuclear Information System (INIS)

    Goetze, W; Sperl, M

    2003-01-01

    Within the mode-coupling theory for the evolution of structural relaxation, the A 4 -glass-transition singularities are identified for systems of particles interacting with a hard-sphere repulsion complemented by different short-ranged potentials: Baxter's singular potential regularized by a large-wavevector cut-off, a model for the Asakura-Oosawa depletion attraction, a triangular potential, a Yukawa attraction, and a square-well potential. The regular potentials yield critical packing fractions, critical Debye-Waller factors, and critical amplitudes very close to each other. The elastic moduli and the particle localization lengths for corresponding states of the Yukawa system and the square-well system may differ by up to 20 and 10%, respectively

  16. Structure and orbital ordering of ultrathin LaVO{sub 3} probed by atomic resolution electron microscopy and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lindfors-Vrejoiu, Ionela; Engelmayer, Johannes; Loosdrecht, Paul H.M. van [II. Physikalisches Institut, Koeln Univ. (Germany); Jin, Lei; Jia, Chun-Lin [Peter Gruenberg Institut (PGI-5) and Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C), Forschungszentrum Juelich GmbH (Germany); Himcinschi, Cameliu [Institut fuer Theoretische Physik, TU Bergakademie Freiberg (Germany); Hensling, Felix; Waser, Rainer; Dittmann, Regina [Peter Gruenberg Institut (PGI-7), Forschungszentrum Juelich GmbH (Germany)

    2017-03-15

    Orbital ordering has been less investigated in epitaxial thin films, due to the difficulty to evidence directly the occurrence of this phenomenon in thin film samples. Atomic resolution electron microscopy enabled us to observe the structural details of the ultrathin LaVO{sub 3} films. The transition to orbital ordering of epitaxial layers as thin as ∼4 nm was probed by temperature-dependent Raman scattering spectroscopy of multilayer samples. From the occurrence and temperature dependence of the 700 cm{sup -1} Raman active mode it can be inferred that the structural phase transition associated with orbital ordering takes place in ultrathin LaVO{sub 3} films at about 130 K. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Hydrogen atom with a Yukawa potential: Perturbation theory and continued-fractions--Pade approximants at large order

    International Nuclear Information System (INIS)

    Vrscay, E.R.

    1986-01-01

    A simple power-series method is developed to calculate to large order the Rayleigh-Schroedinger perturbation expansions for energy levels of a hydrogen atom with a Yukawa-type screened Coulomb potential. Perturbation series for the 1s, 2s, and 2p levels, shown not to be of the Stieltjes type, are calculated to 100th order. Nevertheless, the poles of the Pade approximants to these series generally avoid the region of the positive real axis 0 < lambda < lambda(, where lambda( represents the coupling constant threshold. As a result, the Pade sums afford accurate approximations to E(lambda) in this domain. The continued-fraction representations to these perturbation series have been accurately calculated to large (100th) order and demonstrate a curious ''quasioscillatory,'' but non-Stieltjes, behavior. Accurate values of E(lambda) as well as lambda( for the 1s, 2s, and 2p levels are reported

  18. First-principles study of atomic ordering in bcc Cu-Al

    Science.gov (United States)

    Lanzini, F.; Gargano, P. H.; Alonso, P. R.; Rubiolo, G. H.

    2011-01-01

    The order-disorder transitions and phase stability in the body centered cubic structure of Cu-Al binary alloys are studied by means of theoretical methods. The total energy of different ordered compounds sharing a common bcc Bravais lattice was calculated within the framework of density functional theory. A set of effective cluster interactions was calculated through a cluster expansion (CE) of the total energies. The finite temperature phase diagram of bcc Cu-Al was obtained using the CE formalism coupled with the cluster variation method calculation of the configurational entropy. These results are confronted with a simpler semi-empirical approach based on effective pair interactions obtained from experiment. Both approaches predict a single first-order A2/DO3 transition for compositions close to Cu3Al, in agreement with the most recent experimental results.

  19. Higher-order Stark effect on magnetic fine structure of the helium atom

    Energy Technology Data Exchange (ETDEWEB)

    Magunov, A.; Pal' chikov, V.; Pivovarov, V. [National Research Inst. for Physical-Technical and Radiotechnical Measurements (VNIIFTRI), Mendeleevo, Moscow Region (Russian Federation); Ovsiannikov, V. [Dept. of Physics, Voronezh State Univ. (Russian Federation); Oppen, G. von [Inst. fuer Analytische und Atomare Physik at Technische Univ. Berlin (Germany)

    2001-07-01

    We have calculated the scalar and tensor dipole polarizabilities ({beta}) and hyperpolarizabilities ({gamma}) of excited 1s2p {sup 3}P{sub 0}, 1s2p {sup 3}P{sub 2}- states of helium. Our theory includes fine structure of triplet sublevels. Semiempirical and accurate electron-correlated wave functions have been used to determine the static values of {beta} and {gamma}. Numerical calculations are carried out using sums of oscillator strengths and, alternatively, with the Green function for the excited valence electron. Specifically, we present results for the integral over the continuum, for second- and fourth-order matrix elements. The corresponding estimations indicate that these corrections are of the order of 23% for the scalar part of polarizability and only of the order of 3% for the tensor part.

  20. Uncertainties in forces extracted from non-contact atomic force microscopy measurements by fitting of long-range background forces

    Directory of Open Access Journals (Sweden)

    Adam Sweetman

    2014-04-01

    Full Text Available In principle, non-contact atomic force microscopy (NC-AFM now readily allows for the measurement of forces with sub-nanonewton precision on the atomic scale. In practice, however, the extraction of the often desired ‘short-range’ force from the experimental observable (frequency shift is often far from trivial. In most cases there is a significant contribution to the total tip–sample force due to non-site-specific van der Waals and electrostatic forces. Typically, the contribution from these forces must be removed before the results of the experiment can be successfully interpreted, often by comparison to density functional theory calculations. In this paper we compare the ‘on-minus-off’ method for extracting site-specific forces to a commonly used extrapolation method modelling the long-range forces using a simple power law. By examining the behaviour of the fitting method in the case of two radically different interaction potentials we show that significant uncertainties in the final extracted forces may result from use of the extrapolation method.

  1. Medium range order and structural relaxation in As–Se network glasses through FSDP analysis

    International Nuclear Information System (INIS)

    Golovchak, R.; Lucas, P.; Oelgoetz, J.; Kovalskiy, A.; York-Winegar, J.; Saiyasombat, Ch; Shpotyuk, O.; Feygenson, M.; Neuefeind, J.; Jain, H.

    2015-01-01

    Synchrotron X-ray diffraction and neutron scattering studies are performed on As–Se glasses in two states: as-prepared (rejuvenated) and aged for ∼27 years. The first sharp diffraction peak (FSDP) obtained from the structure factor data as a function of composition and temperature indicates that the cooperative processes that are responsible for structural relaxation do not affect FSDP. The results are correlated with the composition dependence of the complex heat capacity of the glasses and concentration of different structural fragments in the glass network. The comparison of structural information shows that density fluctuations, which were thought previously to have a significant contribution to FSDP, have much smaller effect than the cation–cation correlations, presence of ordered structural fragments or cage molecules. - Highlights: • Aged and non-aged As–Se glasses are studied with XRD and neutron scattering. • Compositional and temperature dependences of FSDP are analyzed. • FSDP parameters are correlated with (non)isothermal structural relaxation data

  2. Medium range order and structural relaxation in As–Se network glasses through FSDP analysis

    Energy Technology Data Exchange (ETDEWEB)

    Golovchak, R., E-mail: holovchakr@apsu.edu [Department of Physics and Astronomy, Austin Peay State University, Clarksville, TN 37044 (United States); Lucas, P. [Department of Materials Science and Engineering, University of Arizona, Tucson, AZ 85712 (United States); Oelgoetz, J.; Kovalskiy, A.; York-Winegar, J. [Department of Physics and Astronomy, Austin Peay State University, Clarksville, TN 37044 (United States); Saiyasombat, Ch [Department of Materials Science and Engineering, Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States); Shpotyuk, O. [Institute of Physics, Jan Dlugosz University of Czestochowa, al. Armii Krajowej 13/15, Czestochowa 42200 (Poland); Feygenson, M.; Neuefeind, J. [Chemical and Engineering Materials Division, Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Jain, H. [Department of Materials Science and Engineering, Lehigh University, 5 East Packer Avenue, Bethlehem, PA 18015-3195 (United States)

    2015-03-01

    Synchrotron X-ray diffraction and neutron scattering studies are performed on As–Se glasses in two states: as-prepared (rejuvenated) and aged for ∼27 years. The first sharp diffraction peak (FSDP) obtained from the structure factor data as a function of composition and temperature indicates that the cooperative processes that are responsible for structural relaxation do not affect FSDP. The results are correlated with the composition dependence of the complex heat capacity of the glasses and concentration of different structural fragments in the glass network. The comparison of structural information shows that density fluctuations, which were thought previously to have a significant contribution to FSDP, have much smaller effect than the cation–cation correlations, presence of ordered structural fragments or cage molecules. - Highlights: • Aged and non-aged As–Se glasses are studied with XRD and neutron scattering. • Compositional and temperature dependences of FSDP are analyzed. • FSDP parameters are correlated with (non)isothermal structural relaxation data.

  3. Metastability of atomic ordering in lead-strontium nitrate solid solutions

    International Nuclear Information System (INIS)

    Shtukenberg, A.G.

    2005-01-01

    A decrease in the anomalous birefringence of ostensibly cubic crystals of (Pb,Sr)(NO 3 ) 2 during annealing between 280-450 deg. C shows first-order reaction kinetics with Arrhenius-like temperature dependence. The activation energies associated with this process were 111(5) and 359(17) kJ/mol below 370 deg. C and above 400 deg. C, respectively. Such behavior agrees with theoretical predictions and confirms that the ordering of cations is the primary cause of the anomalous birefringence

  4. Short-range order clustering in BCC Fe-Mn alloys induced by severe plastic deformation

    Science.gov (United States)

    Shabashov, V. A.; Kozlov, K. A.; Sagaradze, V. V.; Nikolaev, A. L.; Lyashkov, K. A.; Semyonkin, V. A.; Voronin, V. I.

    2018-03-01

    The effect of severe plastic deformation, namely, high-pressure torsion (HPT) at different temperatures and ball milling (BM) at different time intervals, has been investigated by means of Mössbauer spectroscopy in Fe100-xMnx (x = 4.1, 6.8, 9) alloys. Deformation affects the short-range clustering (SRC) in BCC lattice. Two processes occur: destruction of SRC by moving dislocations and enhancement of the SRC by migration of non-equilibrium defects. Destruction of SRC prevails during HPT at 80-293 K; whereas enhancement of SRC dominates at 473-573 K. BM starts enhancing the SRC formation at as low as 293 K due to local heating at impacts. The efficiency of HPT in terms of enhancing SRC increases with increasing temperature. The authors suppose that at low temperatures, a significant fraction of vacancies are excluded from enhancing SRC because of formation of mobile bi- and tri-vacancies having low efficiency of enhancing SRC as compared to that of mono vacancies. Milling of BCC Fe100-xMnx alloys stabilises the BCC phase with respect to α → γ transition at subsequent isothermal annealing because of a high degree of work hardening and formation of composition inhomogeneity.

  5. Tuning anomalous Hall conductivity in L1[sub 0] FePt films by long range chemical ordering

    KAUST Repository

    Chen, M.; Shi, Z.; Xu, W. J.; Zhang, Xixiang; Du, J.; Zhou, S. M.

    2011-01-01

    For L10 FePt films, the anomalous Hall conductivity σ xy=-a σxx-b, where a=a0f(T), b=b 0f(T), and f (T) is the temperature dependence factor of the spontaneous magnetization. With increasing chemical long range ordering S, a0 changes its sign accompanied by a reduction of its magnitude and b0 increases monotonically. The spin-orbit coupling strength is suggested to increase with increasing S. As an approach, the long range chemical ordering can be used to control the anomalous Hall effect in ferromagnetic alloy films. © 2011 American Institute of Physics.

  6. Tuning anomalous Hall conductivity in L1[sub 0] FePt films by long range chemical ordering

    KAUST Repository

    Chen, M.

    2011-02-24

    For L10 FePt films, the anomalous Hall conductivity σ xy=-a σxx-b, where a=a0f(T), b=b 0f(T), and f (T) is the temperature dependence factor of the spontaneous magnetization. With increasing chemical long range ordering S, a0 changes its sign accompanied by a reduction of its magnitude and b0 increases monotonically. The spin-orbit coupling strength is suggested to increase with increasing S. As an approach, the long range chemical ordering can be used to control the anomalous Hall effect in ferromagnetic alloy films. © 2011 American Institute of Physics.

  7. Applications of IBSOM and ETEM for solving the nonlinear chains of atoms with long-range interactions

    Science.gov (United States)

    Foroutan, Mohammadreza; Zamanpour, Isa; Manafian, Jalil

    2017-10-01

    This paper presents a number of new solutions obtained for solving a complex nonlinear equation describing dynamics of nonlinear chains of atoms via the improved Bernoulli sub-ODE method (IBSOM) and the extended trial equation method (ETEM). The proposed solutions are kink solitons, anti-kink solitons, soliton solutions, hyperbolic solutions, trigonometric solutions, and bellshaped soliton solutions. Then our new results are compared with the well-known results. The methods used here are very simple and succinct and can be also applied to other nonlinear models. The balance number of these methods is not constant contrary to other methods. The proposed methods also allow us to establish many new types of exact solutions. By utilizing the Maple software package, we show that all obtained solutions satisfy the conditions of the studied model. More importantly, the solutions found in this work can have significant applications in Hamilton's equations and generalized momentum where solitons are used for long-range interactions.

  8. A comparative study of the second-order Born and Faddeev-Watson approximations for electron-atom collisions

    International Nuclear Information System (INIS)

    Fargher, H.E.; Roberts, M.J.

    1983-01-01

    Simplified versions of the second-order Born and Faddeev-Watson approximations are applied to the excitation of the n=2 levels of atomic hydrogen by the impact of 54.4 eV electrons. The theories are compared with the measurements of differential cross sections and angular correlation parameters. The results indicate that the Born approximation is better at low angles of scattering but that the Faddeev-Watson approximation is better at high angles. The importance of the phases of the two-body T matrices in the Faddeev-Watson approximation is illustrated. (author)

  9. Periodic order and defects in Ni-based inverse opal-like crystals on the mesoscopic and atomic scale

    OpenAIRE

    Chumakova, A. V.; Valkovskiy, G. A.; Mistonov, A. A.; Dyadkin, V. A.; Grigoryeva, N. A.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Petukhov, Andrei V.; Grigoriev, S. V.

    2014-01-01

    The structure of inverse opal crystals based on nickel was probed on the mesoscopic and atomic levels by a set of complementary techniques such as scanning electron microscopy and synchrotron microradian and wide-angle diffraction. The microradian diffraction revealed the mesoscopic-scale face-centered-cubic (fcc) ordering of spherical voids in the inverse opal-like structure with unit cell dimension of 750±10nm. The diffuse scattering data were used to map defects in the fcc structure as a f...

  10. Analysis of long- and short-range contribution to adhesion work in cardiac fibroblasts: An atomic force microscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Sbaizero, O., E-mail: sbaizero@units.it [Department of Engineering and Architecture, University of Trieste (Italy); University of Colorado Cardiovascular Institute, University of Colorado Denver, Aurora (United States); DelFavero, G. [Department of Engineering and Architecture, University of Trieste (Italy); Martinelli, V. [International Center for Genetic Engineering and Biotechnology, Trieste (Italy); Long, C.S.; Mestroni, L. [University of Colorado Cardiovascular Institute, University of Colorado Denver, Aurora (United States)

    2015-04-01

    Atomic force microscopy (AFM) for single-cell force spectroscopy (SCFS) and Poisson statistic were used to analyze the detachment work recorded during the removal of gold-covered microspheres from cardiac fibroblasts. The effect of Cytochalasin D, a disruptor of the actin cytoskeleton, on cell adhesion was also tested. The adhesion work was assessed using a Poisson analysis also derived from single-cell force spectroscopy retracting curves. The use of Poisson analysis to get adhesion work from AFM curves is quite a novel method, and in this case, proved to be effective to study the short-range and long-range contributions to the adhesion work. This method avoids the difficult identification of minor peaks in the AFM retracting curves by creating what can be considered an average adhesion work. Even though the effect of actin depolymerisation is well documented, its use revealed that control cardiac fibroblasts (CT) exhibit a work of adhesion at least 5 times higher than that of the Cytochalasin treated cells. However, our results indicate that in both cells short-range and long-range contributions to the adhesion work are nearly equal and the same heterogeneity index describes both cells. Therefore, we infer that the different adhesion behaviors might be explained by the presence of fewer membrane adhesion molecules available at the AFM tip–cell interface under circumstances where the actin cytoskeleton has been disrupted. - Highlights: • AFM force–deformation curve was used to characterize the cardiac fibroblast adhesion behavior. • The amount and nature of adhesion were assessed using a Poisson analysis applied to the AFM curve. • The work of adhesion for control cells was about four times higher than that of the Cyt-D treated cells. • Short- and long-range contributions to adhesion are nearly equal for both control and treated cells.

  11. Opinions and decisions of the Atomic Energy Commission with selected orders. Progress report, July 1, 1972--December 31, 1972

    International Nuclear Information System (INIS)

    1974-01-01

    Issuances of the Atomic Energy Commission, the Atomic Safety and Licensing Board, the Atomic Safety and Licensing Appeal Board, and the Board of Contract Appeals during the period July through December 1972 are presented

  12. Atomic Energy and Radioactive Substances. The Nuclear Installations (Isle of Man) Order 1977

    International Nuclear Information System (INIS)

    1977-01-01

    This Order extends to the Isle of Man, with the exceptions, adaptations and modifications specified in the Schedule, those provisions of the Nuclear Installations Act 1965, as amended, which relate to the duty in respect of the carriage of nuclear matter, to the right to compensation for breach of that duty and to the bringing and satisfaction of claims. Under the Nuclear Installations Act, the duty of the operator is to secure that no nuclear occurrence taking place within the realm of the Act causes injury to persons or damage to property. (NEA) [fr

  13. Laser-induced short- and long-range orderings of Co nanoparticles on SiO2

    International Nuclear Information System (INIS)

    Favazza, C.; Trice, J.; Krishna, H.; Kalyanaraman, R.; Sureshkumar, R.

    2006-01-01

    Laser irradiation of ultrathin Co films leads to pattern formation by dewetting with short-range order (SRO) as well as long-range order (LRO). When a 1.5 nm thick Co film is irradiated by a single laser beam, a monomodal size distribution of particles with average diameter of 31±10 nm and nearest-neighbor spacing of 75 nm is observed. Moreover, melting by two-beam interference irradiation produces LRO as well as SRO giving a quasi-two-dimensional arrangement of nanoparticles. The SRO is attributed to spinodal dewetting while the LRO is conjectured to be induced by in-plane interfacial tension gradients. Laser-induced dewetting of metals could be a simple technique to fabricate ordered metal nanoarrays

  14. Correlation of optical energy gap with the nearest neighbour short range order in amorphous V2O5 films

    International Nuclear Information System (INIS)

    Dhawan, Sahil; Vedeshwar, Agnikumar G; Tandon, R P

    2011-01-01

    The optical and structural properties of well characterized vacuum-evaporated amorphous V 2 O 5 films were studied in the thickness range 5-500 nm. The structural analyses show that V-O, O-O and V-V nearest neighbour distances defining the short range order vary nonlinearly with film thickness. The optical absorption shows thickness-dependent energy gap (E g ) and the nonlinear behaviour of thickness-dependent E g is similar to that of nearest neighbour distance with film thickness. The E g correlates linearly very well with all the three nearest neighbour distances. The variation of E g with film thickness is attributed to the residual stress in the film which causes the changes in short range order. The change in E g corresponding to the change in V-O distance was found to be 35 eV nm -1 . This change is almost three times of that with V-V distance.

  15. Competition of Dzyaloshinskii-Moriya and Higher-Order Exchange Interactions in Rh /Fe Atomic Bilayers on Ir(111)

    Science.gov (United States)

    Romming, Niklas; Pralow, Henning; Kubetzka, André; Hoffmann, Markus; von Malottki, Stephan; Meyer, Sebastian; Dupé, Bertrand; Wiesendanger, Roland; von Bergmann, Kirsten; Heinze, Stefan

    2018-05-01

    Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh /Fe atomic bilayers on Ir(111). We find that higher-order exchange interactions depend sensitively on the stacking sequence. For fcc-Rh /Fe /Ir (111 ) , frustrated exchange interactions are dominant and lead to the formation of a spin spiral ground state with a period of about 1.5 nm. For hcp-Rh /Fe /Ir (111 ) , higher-order exchange interactions favor an up-up-down-down (↑↑↓↓) state. However, the Dzyaloshinskii-Moriya interaction at the Fe /Ir interface leads to a small angle of about 4° between adjacent magnetic moments resulting in a canted ↑↑↓↓ ground state.

  16. Annealing influence on the atomic ordering and magnetic moment in a Ni-Mn-Ga alloy

    International Nuclear Information System (INIS)

    Gutierrez, J.; Lazpita, P.; Barandiaran, J.M.; Fdez-Gubieda, M.L.; Chaboy, J.; Kawamura, N.

    2007-01-01

    We have studied an alloy of composition Ni 51 Mn 28 Ga 21 prepared by rapid quenching in the form of a ribbon, with transformation temperature T M =337 K below the magnetic-order temperature, T C =344 K. Annealing of the samples was performed at 600 K for different times. From magnetic characterization a clear increase of the saturation magnetization accompanied with an increase of T C (up to 20 K) and T M (about 10 K) has been observed. XMCD measurements of both as-quenched and annealed samples have revealed great changes for the Mn and also the existence of a strong Ni signal. These results point out a possible non-negligible role of Ni, through the polarization of the conduction band, into driving the interplay between annealing and the magnetic properties in these materials

  17. Formation of cold molecules through the photo-association of cold atoms of Cesium. Existence of long range forces between between cold excited atoms of Cesium

    International Nuclear Information System (INIS)

    Comparat, D.

    1999-09-01

    This thesis deals with the experimental study and the theoretical interpretation of the processes involved in photo-association and the formation of cold caesium molecules. It also presents a study of the dipolar forces between a pair of cold excited caesium atoms. We present here the first photo-association experiment on cold caesium atoms: two cold atoms absorb a photon to form an excited electronically excited molecules in a rotation-vibration level. The first production of cold molecules which was realised experimentally, after the spontaneous deexcitation of the photo-associated molecules, is described, stressing the role of the potential well of the molecular states O g - (6s+6p 3/2 ) or 1 u (6s+6p 3/2 ) of caesium. The detection of the formed caesium molecules is based on a two-photons resonant ionisation that creates Cs 2 + ions, afterwards selectively detected. Temperatures around 20-200 μK have been measured. The photo-associative spectroscopy is described on the theoretical point of view: a detailed theoretical study allows to calculate precisely the asymptotic parts of the potential curves. On the experimental point of view, we present the spectroscopy of the extern potential well of the caesium state O g - (6s+6p 3/2 ) and the construction of an effective potential curve of the RKR type. A unified theory of photo-association in weak field, considered as a collision assisted by laser, is developed. The cold atoms experiments allow to study and control the collision between two atoms whose mutual interaction is of the dipole-dipole type. Two different physical systems are studied: a sample of Rydberg atoms, and the photo-association process which is a laser-assisted collision. A modification of the motion of one pair of atoms makes it possible to control the bipolar forces and to choose the atoms relative speeds. (author)

  18. Local coordination and medium range order in molten trivalent metal chlorides: The role of screening by the chlorine component

    International Nuclear Information System (INIS)

    Pastore, G.; Tosi, M.P.

    1995-11-01

    Earlier work has identified the metal ion size R M as a relevant parameter in determining the evolution of the liquid structure of trivalent metal chlorides across the series from LaCl 3 (R M approx. 1.4 A) to AlCl 3 (R M approx. 0.8 A). Here we highlight the structural role of the chlorines by contrasting the structure of fully equilibrated melts with that of disordered systems obtained by quenching the chlorine component. Main attention is given to how the suppression of screening of the polyvalent ions by the chlorines changes trends in the local liquid structure (first neighbour coordination and partial radial distribution functions) and in the intermediate range order (first sharp diffraction peak in the partial structure factors). The main microscopic consequences of structural quenching of the chlorine component are a reduction in short range order and an enhancement of intermediate range order in the metal ion component, as well as the suppression of a tendency to molecular-type states at the lower end of the range of R M . (author). 23 refs, 6 figs

  19. A NEUTRON DIFFRACTION DETERMINATION OF SHORT RANGE ORDER IN A Ni63.7Zr36.3 GLASS

    OpenAIRE

    Bellissent , R.; Bigot , J.; Calvayrac , Y.; Lefebvre , S.; Quivy , A.

    1985-01-01

    A precise determination of the three partial structure factors for the eutectic composition Ni63.7Zr36.3 has been carried out using neutron diffraction on three isotopically substituted glasses. The use of a "zero alloy" yields a direct determination of the Bhatia-Thornton structure factor SCC. Evidence for the existence of strong chemical short-range order and a clear size effect is obtained. Due to this chemical order, the partial structure factors cannot be consistent with the ones calcula...

  20. Observation of field-induced long-range order in disordered Sr14Cu24O41

    International Nuclear Information System (INIS)

    Ohsugi, S.; Matsumoto, S.; Kitaoka, Y.; Matsuda, M.; Uehara, M.; Nagata, T.; Akimitsu, J.

    2004-01-01

    Field-induced magnetic order in a structural disordered single-crystal Sr 14 Cu 24 O 41 (Sr 14 -B) has been observed in the Cu-nuclear magnetic resonance (NMR) measurements for the ladder sites below 20 K under the magnetic field H∼11 T. For the Zhang Rice (ZR) sites in the chains, the spectrum splits below 20 K due to an appearance of the internal field, whereas that of less disordered Sr 14 -A does not. This gives an evidence of three-dimensional (3D) long-range (LR) ordering in Sr 14 -B below T N ∼20 K under H∼11 T

  1. Study of the atomic ordering in the alloys Ni-Ir using diffuse X-ray scattering and pseudopotentials

    International Nuclear Information System (INIS)

    Abbas, T.

    1982-06-01

    Experiments were performed on the Ni-Ir alloys to measure the diffuse X-ray scattering intensity after annealing from high temperatures. It was established that the short-range order exists in these alloys when the samples are quenched from 1200 0 C and 1400 0 C. The ordering potentials for various concentrations of Ir in Ni were calculated using the pseudopotentials of Animalu. The method of incorporating the d electrons in the dielectric screening function was proposed. It was shown that the ordering potential is severely affected by the new type of screening. (author)

  2. Does quasi-long-range order in the two-dimensional XY model really survive weak random phase fluctuations?

    International Nuclear Information System (INIS)

    Mudry, Christopher; Wen Xiaogang

    1999-01-01

    Effective theories for random critical points are usually non-unitary, and thus may contain relevant operators with negative scaling dimensions. To study the consequences of the existence of negative-dimensional operators, we consider the random-bond XY model. It has been argued that the XY model on a square lattice, when weakly perturbed by random phases, has a quasi-long-range ordered phase (the random spin wave phase) at sufficiently low temperatures. We show that infinitely many relevant perturbations to the proposed critical action for the random spin wave phase were omitted in all previous treatments. The physical origin of these perturbations is intimately related to the existence of broadly distributed correlation functions. We find that those relevant perturbations do enter the Renormalization Group equations, and affect critical behavior. This raises the possibility that the random XY model has no quasi-long-range ordered phase and no Kosterlitz-Thouless (KT) phase transition

  3. Changes in structure of the short-range order of the InP melt when heated

    International Nuclear Information System (INIS)

    Glazov, V.M.; Dovletov, K.; Nashel'skij, A.Ya.; Mamedov, M.M.

    1977-01-01

    An investigation of the temperature dependence of the InP viscosity has indicated an ''after-melting'' effect similar to that observed in other A 3 V 5 compounds having a sphalerite structure. The termodynamic parameters of the viscous flow of indium phosphide melt have been calculated, and a suggestion has been made on the loosening of the short-range order structure of the melt during the period preceding solidification. With the similarity in the behaviour of InP and of A 3 Sb compound melts as a basis, a suggestion has been put forward that the influence of the thermal dissociation upon the character of the changes in the short-range order structure directly after transition from the solid to the liquid phase is negligible

  4. Coexisting Kondo singlet state with antiferromagnetic long-range order: A possible ground state for Kondo insulators

    International Nuclear Information System (INIS)

    Zhang Guangming; Yu Lu

    2000-04-01

    The ground-state phase diagram of a half-filled anisotropic Kondo lattice model is calculated within a mean-field theory. For small transverse exchange coupling J perpendicular perpendicular c1 , the ground state shows an antiferromagnetic long-range order with finite staggered magnetizations of both localized spins and conduction electrons. When J perpendicular > J perpendicular c2 , the long-range order is destroyed and the system is in a disordered Kondo singlet state with a hybridization gap. Both ground states can describe the low-temperature phases of Kondo insulating compounds. Between these two distinct phases, there may be a coexistent regime as a result of the balance between local Kondo screening and magnetic interactions. (author)

  5. Investigation into short-range order, electric conductivity and optical absorption edge of indium selenide thin amorphous films

    International Nuclear Information System (INIS)

    Bilyj, M.N.; Didyk, G.V.; Stetsiv, Ya.I.; Yurechko, R.Ya.

    1980-01-01

    Thin amorphous films of InSe have been obtained by the method of discrete vacuum evaporation of about 10 -2 Pa. The short-range order is investigated according to the radial distribution curves. The temperature and film thickness are shown to affect the character of conductivity. The width of the forbidden band determined by the fundamental absorption edge is found to depend on the time of film annealing

  6. Electron irradiation effect on short-range ordering in Cu-Al and Ag-Al alloys

    International Nuclear Information System (INIS)

    Kulish, N.P.; Mel'nikova, N.A.; Petrenko, P.V.; Ryabishchuk, A.L.; Tatarov, A.A.

    1990-01-01

    Method of X-ray diffuse scattering is used to study short-range order variation in Cu-Al and Ag-Al alloys under radiation effect and the following heat treatment. Irradiation was carried out at -40 deg C by 1.6 MeV electrons, fluence of 5x10 7 cm -2 and 0.5 MeV gamma-rays, the dose being 10 7 pH

  7. Long-range string orders and topological quantum phase transitions in the one-dimensional quantum compass model.

    Science.gov (United States)

    Wang, Hai Tao; Cho, Sam Young

    2015-01-14

    In order to investigate the quantum phase transition in the one-dimensional quantum compass model, we numerically calculate non-local string correlations, entanglement entropy and fidelity per lattice site by using the infinite matrix product state representation with the infinite time evolving block decimation method. In the whole range of the interaction parameters, we find that four distinct string orders characterize the four different Haldane phases and the topological quantum phase transition occurs between the Haldane phases. The critical exponents of the string order parameters β = 1/8 and the cental charges c = 1/2 at the critical points show that the topological phase transitions between the phases belong to an Ising type of universality classes. In addition to the string order parameters, the singularities of the second derivative of the ground state energies per site, the continuous and singular behaviors of the Von Neumann entropy and the pinch points of the fidelity per lattice site manifest that the phase transitions between the phases are of the second-order, in contrast to the first-order transition suggested in previous studies.

  8. Determination of Inorganic Arsenic in a Wide Range of Food Matrices using Hydride Generation - Atomic Absorption Spectrometry.

    Science.gov (United States)

    de la Calle, Maria B; Devesa, Vicenta; Fiamegos, Yiannis; Vélez, Dinoraz

    2017-09-01

    The European Food Safety Authority (EFSA) underlined in its Scientific Opinion on Arsenic in Food that in order to support a sound exposure assessment to inorganic arsenic through diet, information about distribution of arsenic species in various food types must be generated. A method, previously validated in a collaborative trial, has been applied to determine inorganic arsenic in a wide variety of food matrices, covering grains, mushrooms and food of marine origin (31 samples in total). The method is based on detection by flow injection-hydride generation-atomic absorption spectrometry of the iAs selectively extracted into chloroform after digestion of the proteins with concentrated HCl. The method is characterized by a limit of quantification of 10 µg/kg dry weight, which allowed quantification of inorganic arsenic in a large amount of food matrices. Information is provided about performance scores given to results obtained with this method and which were reported by different laboratories in several proficiency tests. The percentage of satisfactory results obtained with the discussed method is higher than that of the results obtained with other analytical approaches.

  9. Improving the scanning speed of atomic force microscopy at the scanning range of several tens of micrometers

    International Nuclear Information System (INIS)

    Wang, Yanyan; Hu, Xiaodong; Xu, Linyan; Hu, Xiaotang

    2013-01-01

    The atomic force microscope (AFM) is a powerful instrument which can measure the surface of samples at the nanoscale. The resonance of the scanner in xy directions, and the feedback control in the z direction are two major sources of image distortion at high scan speed. In order to improve the scanning speed of the AFM, a low-cost and easy method, which includes sinusoidal scans in the fast scan direction, and an intelligent fuzzy controller in the z direction, is proposed in this paper. The use of a single-frequency driving signal in the fast scan direction allows the scanner to move at a higher speed without exciting its mechanical resonance. The intelligent fuzzy controller automatically selects appropriate PI parameters through the analysis of the tracking errors, thus improving the dynamic tracking performance of the z scanner. The development and functioning of the sinusoidal fast scans and the intelligent fuzzy controller are demonstrated, as well as how this approach significantly achieves faster scans and a higher resolution AFM imaging. -- Highlights: ► The sinusoidal scan and the intelligent controller are used to improve AFM's rate. ► A new method is raised to overcome the nonlinearity caused by the sinusoidal scan. ► A new controller is proposed to improve the performance of the vertical direction.

  10. Short-range order in the quantum XXZ honeycomb lattice material BaCo2(PO4)2

    Science.gov (United States)

    Nair, Harikrishnan S.; Brown, J. M.; Coldren, E.; Hester, G.; Gelfand, M. P.; Podlesnyak, A.; Huang, Q.; Ross, K. A.

    2018-04-01

    We present observations of highly frustrated quasi-two-dimensional (2D) magnetic correlations in the honeycomb lattice layers of the Seff =1 /2 compound γ -BaCo2(PO4)2 (γ -BCPO). Specific heat shows a broad peak comprised of two weak kink features at TN 1˜6 K and TN 2˜3.5 K, the relative weights of which can be modified by sample annealing. Neutron powder diffraction measurements reveal short range quasi-2D order that is established below TN 1 and TN 2, at which two separate, incompatible, short range magnetic orders onset: commensurate antiferromagnetic correlations with correlation length ξc=60 ±2 Å (TN 1) and in quasi-2D helical domains with ξh=350 ±11 Å (TN 2). The ac magnetic susceptibility response lacks frequency dependence, ruling out spin freezing. Inelastic neutron scattering data on γ -BCPO is compared with linear spin wave theory, and two separate parameter regions of the XXZ J1-J2-J3 model with ferromagnetic nearest-neighbor exchange J1 are favored, both near regions of high classical degeneracy. High energy coherent excitations (˜10 meV) persist up to at least 40 K, suggesting strong in-plane correlations persist above TN. These data show that γ -BCPO is a rare highly frustrated, quasi-2D Seff =1 /2 honeycomb lattice material which resists long range magnetic order and spin freezing.

  11. Wide range local resistance imaging on fragile materials by conducting probe atomic force microscopy in intermittent contact mode

    Energy Technology Data Exchange (ETDEWEB)

    Vecchiola, Aymeric [Laboratoire de Génie électrique et électronique de Paris (GeePs), UMR 8507 CNRS-CentraleSupélec, Paris-Sud and UPMC Universities, 11 rue Joliot-Curie, Plateau de Moulon, 91192 Gif-sur-Yvette (France); Concept Scientific Instruments, ZA de Courtaboeuf, 2 rue de la Terre de Feu, 91940 Les Ulis (France); Unité Mixte de Physique CNRS-Thales UMR 137, 1 avenue Augustin Fresnel, 91767 Palaiseau (France); Chrétien, Pascal; Schneegans, Olivier; Mencaraglia, Denis; Houzé, Frédéric, E-mail: frederic.houze@geeps.centralesupelec.fr [Laboratoire de Génie électrique et électronique de Paris (GeePs), UMR 8507 CNRS-CentraleSupélec, Paris-Sud and UPMC Universities, 11 rue Joliot-Curie, Plateau de Moulon, 91192 Gif-sur-Yvette (France); Delprat, Sophie [Unité Mixte de Physique CNRS-Thales UMR 137, 1 avenue Augustin Fresnel, 91767 Palaiseau (France); UPMC, Université Paris 06, 4 place Jussieu, 75005 Paris (France); Bouzehouane, Karim; Seneor, Pierre; Mattana, Richard [Unité Mixte de Physique CNRS-Thales UMR 137, 1 avenue Augustin Fresnel, 91767 Palaiseau (France); Tatay, Sergio [Molecular Science Institute, University of Valencia, 46980 Paterna (Spain); Geffroy, Bernard [Lab. Physique des Interfaces et Couches minces (PICM), UMR 7647 CNRS-École polytechnique, 91128 Palaiseau (France); Lab. d' Innovation en Chimie des Surfaces et Nanosciences (LICSEN), NIMBE UMR 3685 CNRS-CEA Saclay, 91191 Gif-sur-Yvette (France); and others

    2016-06-13

    An imaging technique associating a slowly intermittent contact mode of atomic force microscopy (AFM) with a home-made multi-purpose resistance sensing device is presented. It aims at extending the widespread resistance measurements classically operated in contact mode AFM to broaden their application fields to soft materials (molecular electronics, biology) and fragile or weakly anchored nano-objects, for which nanoscale electrical characterization is highly demanded and often proves to be a challenging task in contact mode. Compared with the state of the art concerning less aggressive solutions for AFM electrical imaging, our technique brings a significantly wider range of resistance measurement (over 10 decades) without any manual switching, which is a major advantage for the characterization of materials with large on-sample resistance variations. After describing the basics of the set-up, we report on preliminary investigations focused on academic samples of self-assembled monolayers with various thicknesses as a demonstrator of the imaging capabilities of our instrument, from qualitative and semi-quantitative viewpoints. Then two application examples are presented, regarding an organic photovoltaic thin film and an array of individual vertical carbon nanotubes. Both attest the relevance of the technique for the control and optimization of technological processes.

  12. Analysis of the quasi-continuum band emitted by highly ionised tungsten atoms in the 4-7 nm range

    International Nuclear Information System (INIS)

    Madeira, T.I.; Amorim, P.; Marques, J.P.; Parente, F.; Indelicato, P.

    2013-01-01

    For the next upcoming generation of fusion experiments, such as ITER,Tungsten has been chosen as the materials for plasma facing components. Spectra emitted by highly ionized tungsten atoms from magnetically confined plasmas show a common feature: a narrow structured quasi-continuum emission band most prominent in the range 4-7 nm, which accounts for 40-80% of the radiated power. This band has been fairly well explained by unresolved transitions from groups 4d-4p, 4f-4d (Δn = 0) and 5d-4f, 5g-4f and 5p-4d (Δn = 1). In this work we use a Multi-Configuration Dirac-Fock code in Breit self-consistent field mode to compute level energies and transition probabilities for W 27+ to W 37+ ions contributing to this emission band. Intra-shell correlation was introduced in the calculation for both initial and final states and all dipole and quadrupole radiative transitions have been considered. The wavefunctions in the initial and final states are optimized separately and the resulting non-orthogonality effect is fully taken into account. The importance of some satellite lines was assessed. Together with the ionic distributions obtained by using the FLYCHK application and assuming that the initial states population depends statistically on the temperature we were able to synthesize plasma emission spectrum profiles for several electron temperatures. (authors)

  13. Ultracold Atoms in a Square Lattice with Spin-Orbit Coupling: Charge Order, Superfluidity, and Topological Signatures

    Science.gov (United States)

    Rosenberg, Peter; Shi, Hao; Zhang, Shiwei

    2017-12-01

    We present an ab initio, numerically exact study of attractive fermions in square lattices with Rashba spin-orbit coupling. The ground state of this system is a supersolid, with coexisting charge and superfluid order. The superfluid is composed of both singlet and triplet pairs induced by spin-orbit coupling. We perform large-scale calculations using the auxiliary-field quantum Monte Carlo method to provide the first full, quantitative description of the charge, spin, and pairing properties of the system. In addition to characterizing the exotic physics, our results will serve as essential high-accuracy benchmarks for the intense theoretical and especially experimental efforts in ultracold atoms to realize and understand an expanding variety of quantum Hall and topological superconductor systems.

  14. Long range ordered magnetic and atomic structures of the quasicrystal approximant in the Tb-Au-Si system

    Czech Academy of Sciences Publication Activity Database

    Gebresenbut, G.; Andersson, M. S.; Beran, Přemysl; Manuel, P.; Nordblad, P.; Sahlberg, M.; Gomez, C. P.

    2014-01-01

    Roč. 26, č. 32 (2014), s. 322202 ISSN 0953-8984 R&D Projects: GA MŠk(XE) LM2011019 EU Projects: European Commission(XE) 283883 - NMI3-II Institutional support: RVO:61389005 Keywords : magnetic property * magnetic structure refinement * approximants of quasicrystals Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.346, year: 2014

  15. Secondary electron emission of thin carbon foils under the impact of hydrogen atoms, ions and molecular ions, under energies within the MeV range

    International Nuclear Information System (INIS)

    Vidovic, Z.

    1997-06-01

    This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H 0 , H 2 + and H 3 + projectiles in the 0.25-2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. The phenomenological and theoretical descriptions, as well as a summary of the main theoretical models are the subject of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of a thin carbon foil traversed by an energetic projectile is described in the chapter two. In this chapter are also presented the method and algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with the emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H 2 + and H 3 + polyatomic ions. The results are interpreted in terms of collective effects in the interactions of these ions with solids. The role of the proximity of the protons, molecular ion fragments, upon the amplitude of these collective effects is evidenced from the study of the statistics of forward emission. These experiences allowed us to shed light on various aspects of atom and polyatomic ion inter-actions with solid surfaces. (author)

  16. Higher Order Analysis of Turbulent Changes Found in the ELF Range Electric Field Plasma Before Major Earthquakes

    Science.gov (United States)

    Kosciesza, M.; Blecki, J. S.; Parrot, M.

    2014-12-01

    We report the structure function analysis of changes found in electric field in the ELF range plasma turbulence registered in the ionosphere over epicenter region of major earthquakes with depth less than 40 km that took place during 6.5 years of the scientific mission of the DEMETER satellite. We compare the data for the earthquakes for which we found turbulence with events without any turbulent changes. The structure functions were calculated also for the Polar CUSP region and equatorial spread F region. Basic studies of the turbulent processes were conducted with use of higher order spectra and higher order statistics. The structure function analysis was performed to locate and check if there are intermittent behaviors in the ionospheres plasma over epicenter region of the earthquakes. These registrations are correlated with the plasma parameters measured onboard DEMETER satellite and with geomagnetic indices.

  17. Extensive disordering in long-range-ordered Cu3Au induced by severe plastic deformation studied by transmission electron microscopy

    International Nuclear Information System (INIS)

    Rentenberger, C.; Karnthaler, H.P.

    2008-01-01

    Bulk nanocrystalline materials can be made by severe plastic deformation. In L1 2 long-range-ordered alloys, this leads to extensive disordering which influences the highly improved properties of these nanocrystalline alloys. Transmission electron microscopy methods were applied to Cu 3 Au; both diffraction contrast images and diffraction patterns reveal that disordering takes place locally. It is concluded that in addition to disordering by the refinement of the grown-in antiphase boundary domains, the formation of antiphase boundary tubes is a prominent process of disordering. The latter is facilitated by the fact that, unlike dislocations, antiphase boundary tubes can be stored at a very high density without causing long-range stresses. The local disordering indicates that the nanocrystalline structure nucleates inhomogeneously in the highly strained disordered regions

  18. First-principles theory of short-range order in size-mismatched metal alloys: Cu-Au, Cu-Ag, and Ni-Au

    International Nuclear Information System (INIS)

    Wolverton, C.; Ozolins, V.; Zunger, A.

    1998-01-01

    We describe a first-principles technique for calculating the short-range order (SRO) in disordered alloys, even in the presence of large anharmonic atomic relaxations. The technique is applied to several alloys possessing large size mismatch: Cu-Au, Cu-Ag, Ni-Au, and Cu-Pd. We find the following: (i) The calculated SRO in Cu-Au alloys peaks at (or near) the left-angle 100 right-angle point for all compositions studied, in agreement with diffuse scattering measurements. (ii) A fourfold splitting of the X-point SRO exists in both Cu 0.75 Au 0.25 and Cu 0.70 Pd 0.30 , although qualitative differences in the calculated energetics for these two alloys demonstrate that the splitting in Cu 0.70 Pd 0.30 may be accounted for by T=0 K energetics while T≠0 K configurational entropy is necessary to account for the splitting in Cu 0.75 Au 0.25 . Cu 0.75 Au 0.25 shows a significant temperature dependence of the splitting, in agreement with recent in situ measurements, while the splitting in Cu 0.70 Pd 0.30 is predicted to have a much smaller temperature dependence. (iii) Although no measurements exist, the SRO of Cu-Ag alloys is predicted to be of clustering type with peaks at the left-angle 000 right-angle point. Streaking of the SRO peaks in the left-angle 100 right-angle and left-angle 1 (1) /(2) 0 right-angle directions for Ag- and Cu-rich compositions, respectively, is correlated with the elastically soft directions for these compositions. (iv) Even though Ni-Au phase separates at low temperatures, the calculated SRO pattern in Ni 0.4 Au 0.6 , like the measured data, shows a peak along the left-angle ζ00 right-angle direction, away from the typical clustering-type left-angle 000 right-angle point. (v) The explicit effect of atomic relaxation on SRO is investigated and it is found that atomic relaxation can produce significant qualitative changes in the SRO pattern, changing the pattern from ordering to clustering type, as in the case of Cu-Ag. copyright 1998 The American

  19. Atomic interferometry

    International Nuclear Information System (INIS)

    Baudon, J.; Robert, J.

    2004-01-01

    Since the theoretical works of L. De Broglie (1924) and the famous experiment of Davisson and Germer (1927), we know that a wave is linked with any particle of mass m by the relation λ = h/(mv), where λ is the wavelength, v the particle velocity and h is the Planck constant. The basic principle of the interferometry of any material particle, atom, molecule or aggregate is simple: using a simple incident wave, several mutually consistent waves (with well-defined relative phases) are generated and controllable phase-shifts are introduced between them in order to generate a wave which is the sum of the previous waves. An interference figure is obtained which consists in a succession of dark and bright fringes. The atomic interferometry is based on the same principle but involves different techniques, different wave equations, but also different beams, sources and correlations which are described in this book. Because of the small possible wavelengths and the wide range of possible atomic interactions, atomic interferometers can be used in many domains from the sub-micron lithography to the construction of sensors like: inertial sensors, gravity-meters, accelerometers, gyro-meters etc. The first chapter is a preliminary study of the space and time diffraction of atoms. The next chapters is devoted to the description of slit, light separation and polarization interferometers, and the last chapter treats of the properties of Bose-Einstein condensates which are interesting in atomic interferometry. (J.S.)

  20. Research Investigation Directed Toward Extending the Useful Range of the Electromagnetic Spectrum. [atomic spectra and electronic structure of alkali metals

    Science.gov (United States)

    Hartmann, S. R.; Happer, W.

    1974-01-01

    The report discusses completed and proposed research in atomic and molecular physics conducted at the Columbia Radiation Laboratory from July 1972 to June 1973. Central topics described include the atomic spectra and electronic structure of alkali metals and helium, molecular microwave spectroscopy, the resonance physics of photon echoes in some solid state systems (including Raman echoes, superradiance, and two photon absorption), and liquid helium superfluidity.

  1. Off-diagonal long-range order, cycle probabilities, and condensate fraction in the ideal Bose gas.

    Science.gov (United States)

    Chevallier, Maguelonne; Krauth, Werner

    2007-11-01

    We discuss the relationship between the cycle probabilities in the path-integral representation of the ideal Bose gas, off-diagonal long-range order, and Bose-Einstein condensation. Starting from the Landsberg recursion relation for the canonic partition function, we use elementary considerations to show that in a box of size L3 the sum of the cycle probabilities of length k>L2 equals the off-diagonal long-range order parameter in the thermodynamic limit. For arbitrary systems of ideal bosons, the integer derivative of the cycle probabilities is related to the probability of condensing k bosons. We use this relation to derive the precise form of the pik in the thermodynamic limit. We also determine the function pik for arbitrary systems. Furthermore, we use the cycle probabilities to compute the probability distribution of the maximum-length cycles both at T=0, where the ideal Bose gas reduces to the study of random permutations, and at finite temperature. We close with comments on the cycle probabilities in interacting Bose gases.

  2. Absence of a long-range ordered magnetic ground state in Pr3Rh4Sn13 studied through specific heat and inelastic neutron scattering

    Science.gov (United States)

    Nair, Harikrishnan S.; Ogunbunmi, Michael O.; Ghosh, S. K.; Adroja, D. T.; Koza, M. M.; Guidi, T.; Strydom, A. M.

    2018-04-01

    Signatures of absence of a long-range ordered magnetic ground state down to 0.36 K are observed in magnetic susceptibility, specific heat, thermal/electrical transport and inelastic neutron scattering data of the quasi-skutterudite compound Pr3Rh4Sn13 which crystallizes in the Yb3Rh4Sn13-type structure with a cage-like network of Sn atoms. In this structure, Pr3+ occupies a lattice site with D 2d point symmetry having a ninefold degeneracy corresponding to J  =  4. The magnetic susceptibility of Pr3Rh4Sn13 shows only a weak temperature dependence below 10 K otherwise remaining paramagnetic-like in the range, 10 K-300 K. From the inelastic neutron scattering intensity of Pr3Rh4Sn13 recorded at different temperatures, we identify excitations at 4.5(7) K, 5.42(6) K, 10.77(5) K, 27.27(5) K, 192.28(4) K and 308.33(3) K through a careful peak analysis. However, no signatures of long-range magnetic order are observed in the neutron data down to 1.5 K, which is also confirmed by the specific heat data down to 0.36 K. A broad Schottky-like peak is recovered for the magnetic part of the specific heat, C 4f, which suggests the role of crystal electric fields of Pr3+ . A crystalline electric field model consisting of 7 levels was applied to C 4f which leads to the estimation of energy levels at 4.48(2) K, 6.94(4) K, 11.23(8) K, 27.01(5) K, 193.12(6) K and 367.30(2) K. The CEF energy levels estimated from the heat capacity analysis are in close agreement with the excitation energies seen in the neutron data. The Sommerfeld coefficient estimated from the analysis of magnetic specific heat is γ = 761(6) mJ K-2 mol-Pr which suggests the formation of heavy itinerant quasi-particles in Pr3Rh4Sn13. Combining inelastic neutron scattering results, analysis of the specific heat data down to 0.36 K, magnetic susceptibility and, electrical and thermal transport, we establish the absence of long-range ordered magnetic ground state in Pr3Rh4Sn13.

  3. Effective atomic numbers and electron densities of some biologically important compounds containing H, C, N and O in the energy range 145-1330 keV

    International Nuclear Information System (INIS)

    Manjunathaguru, V; Umesh, T K

    2006-01-01

    A semi-empirical relation which can be used to determine the total attenuation cross sections of samples containing H, C, N and O in the energy range 145-1332 keV has been derived based on the total attenuation cross sections of several sugars, amino acids and fatty acids. The cross sections have been measured by performing transmission experiments in a narrow beam good geometry set-up by employing a high-resolution hyperpure germanium detector at seven energies of biological importance such as 145.4 keV, 279.2 keV, 514 keV, 661.6 keV, 1115.5 keV, 1173.2 keV and 1332.1 keV. The semi-empirical relation can reproduce the experimental values within 1-2%. The total attenuation cross sections of five elements carbon, aluminium, titanium, copper and zirconium measured in the same experimental set-up at the energies mentioned above have been used in a new matrix method to evaluate the effective atomic numbers and the effective electron densities of samples such as cholesterol, fatty acids, sugars and amino acids containing H, C, N and O atoms from their effective atomic cross sections. The effective atomic cross sections are the total attenuation cross sections divided by the total number of atoms of all types in a particular sample. Further, a quantity called the effective atomic weight was defined as the ratio of the molecular weight of a sample to the total number of atoms of all types in it. The variation of the effective atomic number was systematically studied with respect to the effective atomic weight and a new semi-empirical relation for Z eff has been evolved. It is felt that this relation can be very useful to determine the effective atomic number of any sample having H, C, N and O atoms in the energy range 145-1332 keV irrespective of its chemical structure

  4. Thermal ageing and short-range ordering of Alloy 690 between 350 and 550 °C

    Energy Technology Data Exchange (ETDEWEB)

    Mouginot, Roman, E-mail: roman.mouginot@aalto.fi [Aalto University School of Engineering, Department of Mechanical Engineering, Otakaari 4, 02150 Espoo (Finland); Sarikka, Teemu [Aalto University School of Engineering, Department of Mechanical Engineering, Otakaari 4, 02150 Espoo (Finland); Heikkilä, Mikko [University of Helsinki, Laboratory of Inorganic Chemistry, A.I.Virtasen Aukio 1, 00560 Helsinki (Finland); Ivanchenko, Mykola; Ehrnstén, Ulla [VTT Technical Research Centre of Finland LTD, Kemistintie 3, 02150 Espoo (Finland); Kim, Young Suk; Kim, Sung Soo [Korea Atomic Energy Research Institute, Daedeok-Daero, 989-111, Yuseong, Daejeon, 34057 (Korea, Republic of); Hänninen, Hannu [Aalto University School of Engineering, Department of Mechanical Engineering, Otakaari 4, 02150 Espoo (Finland)

    2017-03-15

    Thermal ageing of Alloy 690 triggers an intergranular (IG) carbide precipitation and is known to promote an ordering reaction causing lattice contraction. It may affect the long-term primary water stress corrosion cracking (PWSCC) resistance of pressurized water reactor (PWR) components. Four conditions of Alloy 690 (solution annealed, cold-rolled and/or heat-treated) were aged between 350 and 550 °C for 10 000 h and characterized. Although no direct observation of ordering was made, variations in hardness and lattice parameter were attributed to the formation of short-range ordering (SRO) in all conditions with a peak level at 420 °C, consistent with the literature. Prior heat treatment induced ordering before thermal ageing. At higher temperatures, stress relaxation, recrystallization and α-Cr precipitation were observed in the cold-worked samples, while a disordering reaction was inferred in all samples based on a decrease in hardness. IG precipitation of M{sub 23}C{sub 6} carbides increased with increasing ageing temperature in all conditions, as well as diffusion-induced grain boundary migration (DIGM). - Highlights: • SRO was suggested in Alloy 690 with 9.18 wt% Fe after thermal ageing at 350, 420 and 475 °C. • Prior thermal treatment promoted SRO before ageing. • Cold work led to recrystallization and precipitation of α-Cr upon ageing at 550 °C. • Thermal ageing promoted IG precipitation of Cr-rich M{sub 23}C{sub 6} carbides and DIGM.

  5. Microstructural investigation of Sr-modified Al-15 wt%Si alloys in the range from micrometer to atomic scale.

    Science.gov (United States)

    Timpel, M; Wanderka, N; Vinod Kumar, G S; Banhart, J

    2011-05-01

    Strontium-modified Al-15 wt%Si casting alloys were investigated after 5 and 60 min of melt holding. The eutectic microstructures were studied using complementary methods at different length scales: focused ion beam-energy selective backscattered tomography, transmission electron microscopy and 3D atom probe. Whereas the samples after 5 min of melt holding show that the structure of eutectic Si changes into a fine fibrous morphology, the increase of prolonged melt holding (60 min) leads to the loss of Sr within the alloy with an evolution of an unmodified eutectic microstructure displaying coarse interconnected Si plates. Strontium was found at the Al/Si eutectic interfaces on the side of the eutectic Al region, measured by 3D atom probe. The new results obtained using 3D atom probe shed light on the location of Sr within the Al-Si eutectic microstructure. Copyright © 2010 Elsevier B.V. All rights reserved.

  6. Periodic order and defects in Ni-based inverse opal-like crystals on the mesoscopic and atomic scale

    Science.gov (United States)

    Chumakova, A. V.; Valkovskiy, G. A.; Mistonov, A. A.; Dyadkin, V. A.; Grigoryeva, N. A.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Petukhov, A. V.; Grigoriev, S. V.

    2014-10-01

    The structure of inverse opal crystals based on nickel was probed on the mesoscopic and atomic levels by a set of complementary techniques such as scanning electron microscopy and synchrotron microradian and wide-angle diffraction. The microradian diffraction revealed the mesoscopic-scale face-centered-cubic (fcc) ordering of spherical voids in the inverse opal-like structure with unit cell dimension of 750±10nm. The diffuse scattering data were used to map defects in the fcc structure as a function of the number of layers in the Ni inverse opal-like structure. The average lateral size of mesoscopic domains is found to be independent of the number of layers. 3D reconstruction of the reciprocal space for the inverse opal crystals with different thickness provided an indirect study of original opal templates in a depth-resolved way. The microstructure and thermal response of the framework of the porous inverse opal crystal was examined using wide-angle powder x-ray diffraction. This artificial porous structure is built from nickel crystallites possessing stacking faults and dislocations peculiar for the nickel thin films.

  7. Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3

    Science.gov (United States)

    Ziatdinov, M.; Banerjee, A.; Maksov, A.; Berlijn, T.; Zhou, W.; Cao, H. B.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Baddorf, A. P.; Kalinin, S. V.

    2016-12-01

    A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ~0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.

  8. Relationship between Magnetic Anisotropy below Pseudogap Temperature and Short-Range Antiferromagnetic Order in High-Temperature Cuprate Superconductor

    Science.gov (United States)

    Morinari, Takao

    2018-06-01

    The central issue in high-temperature cuprate superconductors is the pseudogap state appearing below the pseudogap temperature T*, which is well above the superconducting transition temperature. In this study, we theoretically investigate the rapid increase of the magnetic anisotropy below the pseudogap temperature detected by the recent torque-magnetometry measurements on YBa2Cu3Oy [Y. Sato et al., 10.1038/nphys4205" xlink:type="simple">Nat. Phys. 13, 1074 (2017)]. Applying the spin Green's function formalism including the Dzyaloshinskii-Moriya interaction arising from the buckling of the CuO2 plane, we obtain results that are in good agreement with the experiment and find a scaling relationship. Our analysis suggests that the characteristic temperature associated with the magnetic anisotropy, which coincides with T*, is not a phase transition temperature but a crossover temperature associated with the short-range antiferromagnetic order.

  9. Short-range order in ab initio computer generated amorphous and liquid Cu–Zr alloys: A new approach

    International Nuclear Information System (INIS)

    Galván-Colín, Jonathan; Valladares, Ariel A.; Valladares, Renela M.; Valladares, Alexander

    2015-01-01

    Using ab initio molecular dynamics and a new approach based on the undermelt-quench method we generated amorphous and liquid samples of Cu x Zr 100−x (x=64, 50, 36) alloys. We characterized the topology of our resulting structures by means of the pair distribution function and the bond-angle distribution; a coordination number distribution was also calculated. Our results for both amorphous and liquids agree well with experiment. Dependence of short-range order with the concentration is reported. We found that icosahedron-like geometry plays a major role whenever the alloys are Cu-rich or Zr-rich disregarding if the samples are amorphous or liquid. The validation of these results, in turn would let us calculate other properties so far disregarded in the literature

  10. Short-range order in ab initio computer generated amorphous and liquid Cu–Zr alloys: A new approach

    Energy Technology Data Exchange (ETDEWEB)

    Galván-Colín, Jonathan, E-mail: jgcolin@ciencias.unam.mx [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apartado Postal 70-360, México, D.F. 04510, México (Mexico); Valladares, Ariel A., E-mail: valladar@unam.mx [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apartado Postal 70-360, México, D.F. 04510, México (Mexico); Valladares, Renela M.; Valladares, Alexander [Facultad de Ciencias, Universidad Nacional Autónoma de México, Apartado Postal 70-542, México, D.F. 04510, México (Mexico)

    2015-10-15

    Using ab initio molecular dynamics and a new approach based on the undermelt-quench method we generated amorphous and liquid samples of Cu{sub x}Zr{sub 100−x} (x=64, 50, 36) alloys. We characterized the topology of our resulting structures by means of the pair distribution function and the bond-angle distribution; a coordination number distribution was also calculated. Our results for both amorphous and liquids agree well with experiment. Dependence of short-range order with the concentration is reported. We found that icosahedron-like geometry plays a major role whenever the alloys are Cu-rich or Zr-rich disregarding if the samples are amorphous or liquid. The validation of these results, in turn would let us calculate other properties so far disregarded in the literature.

  11. Effect of crystalline electric fields and long-range magnetic order on superconductivity in rare earth alloys and compounds

    International Nuclear Information System (INIS)

    McCallum, R.W.

    1977-01-01

    The behavior of rare earth ions in a superconducting matrix has been studied in two distinct regimes. First, the effects of crystal field splitting of the 4f levels of a magnetic rare earth ion in the alloy system (LaPr)Sn 3 were investigated in the limit of low Pr 3+ concentration. In this system the rare earth impurity ions occupy random La sites in the crystal lattice. Second, the interaction of long-range magnetic order and superconductivity was explored in the ternary rare earth molybdenum chalcogenide systems. In these compounds the rare earth ions occupy periodic lattice sites in contrast to the random distribution of magnetic ions in dilute impurity alloy systems such as (LaPr)Sn 3

  12. Two-Step Cycle for Producing Multiple Anodic Aluminum Oxide (AAO) Films with Increasing Long-Range Order.

    Science.gov (United States)

    Choudhary, Eric; Szalai, Veronika

    2016-01-01

    Nanoporous anodic aluminum oxide (AAO) membranes are being used for an increasing number of applications. However, the original two-step anodization method in which the first anodization is sacrificial to pre-pattern the second is still widely used to produce them. This method provides relatively low throughput and material utilization as half of the films are discarded. An alternative scheme that relies on alternating anodization and cathodic delamination is demonstrated that allows for the fabrication of several AAO films with only one sacrificial layer thus greatly improving total aluminum to alumina yield. The thickness for which the cathodic delamination performs best to yield full, unbroken AAO sheets is around 85 μm. Additionally, an image analysis method is used to quantify the degree of long-range ordering of the unit cells in the AAO films which was found to increase with each successive iteration of the fabrication cycle.

  13. Tensile properties and bend ductility of (Fe,Ni)3V long-range-ordered alloys after irradiation in HFIR

    International Nuclear Information System (INIS)

    Braski, D.N.

    1984-01-01

    The objective of this work was to determine the effect of neutron irradiation on the tensile properties and bend ductility of (Fe,Ni) 3 V long-range-ordered (LRO) alloys. Several (Fe,Ni) 3 V LRO alloys were irradiated in HFIR-CTR-42 and -43 at 400 to 600 0 C, to approximately 10 dpa and approximately 1000 at. ppm He. Additions of cerium or carbon and the use of cold-worked microstructures did not improve the embrittlement resistance of the LRO alloys. The LRO-37-5RS alloy, with a microstructure produced by rapid solidification, exhibited the highest ductilities, and further study of the RS microstructure is warranted. The correlation between bend ductility and tensile ductility was poor

  14. Quantitative compositional analysis and field-evaporation behavior of ordered Ni4Mo on an atomic plane-by-plane basis: an atom-probe field-ion microscope study. MSC report No. 4802

    International Nuclear Information System (INIS)

    Yamamoto, M.; Seidman, D.N.

    1982-10-01

    The (211) fundamental and (101) superlattice planes, of the bct lattice, were analysed chemically on an atomic plane-by-plane basis. It was demonstrated that the composition of each individual plane can be determined as a function of depth without any ambiguity. The overall average Mo concentration was measured to be 17.1 at. % for the (211) fundamental plane. Details of the field evaporation behavior of the (211) fundamental and (101) superlattice planes were studied. The field-evaporation behavior is described in terms of the field-evaporation rate, the order of the field evaporated ions, etc. Each individual atomic plane field evaporated on an atomic plane-by-plane basis for the (211) fundamental plane. While for (101) superlattice plane a group of planes consisting of one plane of Mo atoms and four planes of Ni atoms field-evaporated as a unit. An abnormal increase in the number of Mo atoms was found in the central portion of the (211) fundamental plane. Possible mechanisms for the abnormal field evaporation rate are discussed. It is concluded that the atom probe technique can be used to follow the physics and chemistry of the field-evaporation process and the chemistry of the alloy as a function of position, on a subnanometer scale, throughout the specimen. 13 figures

  15. Quantifying the information in the long-range order of words: semantic structures and universal linguistic constraints.

    Science.gov (United States)

    Montemurro, Marcelo A

    2014-06-01

    We review some recent progress on the characterisation of long-range patterns of word use in language using methods from information theory. In particular, two levels of structure in language are considered. The first level corresponds to the patterns of words usage over different contextual domains. A direct application of information theory to quantify the specificity of words across different sections of a linguistic sequence leads to a measure of semantic information. Moreover, a natural scale emerges that characterises the typical size of semantic structures. Since the information measure is made up of additive contributions from individual words, it is possible to rank the words according to their overall weight in the total information. This allows the extraction of keywords most relevant to the semantic content of the sequence without any prior knowledge of the language. The second level considered is the complex structure of correlations among words in linguistic sequences. The degree of order in language can be quantified by means of the entropy. Reliable estimates of the entropy were obtained from corpora of texts from several linguistic families by means of lossless compression algorithms. The value of the entropy fluctuates across different languages since it depends on linguistic organisation at various levels. However, when a measure of relative entropy that specifically quantifies the degree of word ordering in language is estimated, it presents an almost constant value over all the linguistic families studied. This suggests that the entropy of word ordering is a novel quantitative linguistic universal. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. The interplay of long-range magnetic order and single-ion anisotropy in rare earth nickel germanides

    International Nuclear Information System (INIS)

    Islam, Z.

    1999-01-01

    This dissertation is concerned with the interplay of long-range order and anisotropy in the tetragonal RNi 2 Ge 2 (R = rare earth) family of compounds. Microscopic magnetic structures were studied using both neutron and x-ray resonant exchange scattering (XRES) techniques. The magnetic structures of Tb, Dy, Eu and Gd members have been determined using high-quality single-crystal samples. This work has correlated a strong Fermi surface nesting to the magnetic ordering in the RNi 2 Ge 2 compounds. Generalized susceptibility, χ 0 (q), calculations found nesting to be responsible for both incommensurate ordering wave vector in GdNi 2 Ge 2 , and the commensurate structure in EuNi 2 Ge 2 . A continuous transition from incommensurate to commensurate magnetic structures via band filling is predicted. The surprisingly higher T N in EuNi 2 Ge 2 than that in GdNi 2 Ge 2 is also explained. Next, all the metamagnetic phases in TbNi 2 Ge 2 with an applied field along the c axis have been characterized with neutron diffraction measurements. A mixed phase model for the first metamagnetic structure consisting of fully-saturated as well as reduced-moment Tb ions is presented. The moment reduction may be due to moment instability which is possible if the exchange is comparable to the low-lying CEF level splitting and the ground state is a singlet. In such a case, certain Tb sites may experience a local field below the critical value needed to reach saturation

  17. The interplay of long-range magnetic order and single-ion anisotropy in rare earth nickel germanides

    Energy Technology Data Exchange (ETDEWEB)

    Islam, Z.

    1999-05-10

    This dissertation is concerned with the interplay of long-range order and anisotropy in the tetragonal RNi{sub 2}Ge{sub 2} (R = rare earth) family of compounds. Microscopic magnetic structures were studied using both neutron and x-ray resonant exchange scattering (XRES) techniques. The magnetic structures of Tb, Dy, Eu and Gd members have been determined using high-quality single-crystal samples. This work has correlated a strong Fermi surface nesting to the magnetic ordering in the RNi{sub 2}Ge{sub 2} compounds. Generalized susceptibility, {chi}{sub 0}(q), calculations found nesting to be responsible for both incommensurate ordering wave vector in GdNi{sub 2}Ge{sub 2}, and the commensurate structure in EuNi{sub 2}Ge{sub 2}. A continuous transition from incommensurate to commensurate magnetic structures via band filling is predicted. The surprisingly higher T{sub N} in EuNi{sub 2}Ge{sub 2} than that in GdNi{sub 2}Ge{sub 2} is also explained. Next, all the metamagnetic phases in TbNi{sub 2}Ge{sub 2} with an applied field along the c axis have been characterized with neutron diffraction measurements. A mixed phase model for the first metamagnetic structure consisting of fully-saturated as well as reduced-moment Tb ions is presented. The moment reduction may be due to moment instability which is possible if the exchange is comparable to the low-lying CEF level splitting and the ground state is a singlet. In such a case, certain Tb sites may experience a local field below the critical value needed to reach saturation.

  18. Higher order moments of the matter distribution in scale-free cosmological simulations with large dynamic range

    Science.gov (United States)

    Lucchin, Francesco; Matarrese, Sabino; Melott, Adrian L.; Moscardini, Lauro

    1994-01-01

    We calculate reduced moments (xi bar)(sub q) of the matter density fluctuations, up to order q = 5, from counts in cells produced by particle-mesh numerical simulations with scale-free Gaussian initial conditions. We use power-law spectra P(k) proportional to k(exp n) with indices n = -3, -2, -1, 0, 1. Due to the supposed absence of characteristic times or scales in our models, all quantities are expected to depend on a single scaling variable. For each model, the moments at all times can be expressed in terms of the variance (xi bar)(sub 2), alone. We look for agreement with the hierarchical scaling ansatz, according to which ((xi bar)(sub q)) proportional to ((xi bar)(sub 2))(exp (q - 1)). For n less than or equal to -2 models, we find strong deviations from the hierarchy, which are mostly due to the presence of boundary problems in the simulations. A small, residual signal of deviation from the hierarchical scaling is however also found in n greater than or equal to -1 models. The wide range of spectra considered and the large dynamic range, with careful checks of scaling and shot-noise effects, allows us to reliably detect evolution away from the perturbation theory result.

  19. Hydrothermal stability investigation of micro- and mesoporous silica containing long-range ordered cobalt oxide clusters by XAS.

    Science.gov (United States)

    Liu, Liang; Wang, David K; Kappen, Peter; Martens, Dana L; Smart, Simon; Diniz da Costa, João C

    2015-07-15

    This work investigates the hydrothermal stability of cobalt doped silica materials with different Co/Si molar ratios (0, 0.05, 0.10, and 0.25). The resultant materials were characterized by N2 sorption and chemical structures by Raman and X-ray absorption spectroscopy before and after a harsh hydrothermal exposure (550 °C, 75 mol% vapour and 40 h). The cobalt silica materials showed a lower surface area loss from 48% to 12% with increasing Co/Si molar ratio from 0.05 to 0.25 and relatively maintaining their pore size distribution, while pure silica exhibited significant surface area reduction (80%) and pore size broadening. For low cobalt loading sample (Co/Si = 0.05), the cobalt was highly dispersed in the silica network in a tetrahedral coordination with oxygen and a small proportion of Co-Co interaction in the second shell. Long range order Co3O4 was observed when Co/Si molar ratio increased to 0.10 and 0.25. The hydrothermal exposure did not affect the local cobalt environments and no cobalt-silicon interaction was observed by X-ray absorption spectroscopy. The hydrothermal stability of the silica matrix was attributed to the physical barrier of cobalt oxide in opposing densification and silica mobility under harsh hydrothermal conditions.

  20. Correlation between short-range order, optical properties and UV-absorption ability in tellurate glasses; Poster M7

    Energy Technology Data Exchange (ETDEWEB)

    Burger, H; Tews, W; Vogel, W; Kozhukharov, V [Jena Univ. (Germany)

    1989-01-01

    Tellurate glasses, with as second components Al[sub 2]O[sub 3], PbO, PbF[sub 2], PbCl[sub 2], PbBr[sub 2], PbSO[sub 4], ZnO, B[sub 2]O[sub 3], P[sub 2]O[sub 5], Li[sub 2]O, Na[sub 2]O, K[sub 2]O, MgO and BaO as well as some glasses from ternary TeO[sub 2]-P[sub 2]O[sub 5]-RO systems (R is Pb, Ba and Zn ions), have been investigated. Transmittance spectra in UV and VIS region of some selected glasses have been measured. A correlation between optical properties and UV absorption edge of the transmittance have been done. Using p[sup 31]-NMR spectroscopy the structural changes on short-range level order are studied. A strong influence on the refraction and dispersion values as well as UV-absorption ability of the glasses is established. For p[sup 31] -NMR spectroscopy investigations of crystalline phosphotellurites and related phosphotellurite glasses the TeO[sub 2]-P[sub 2]O[sub 5B]aO ternary system have been chosen. (author).

  1. A medium range order structural connection to the configurational heat capacity of borate-silicate mixed glasses.

    Science.gov (United States)

    Liu, Hao; Smedskjaer, Morten M; Tao, Haizheng; Jensen, Lars R; Zhao, Xiujian; Yue, Yuanzheng

    2016-04-28

    It has been reported that the configurational heat capacity (C(p,conf)) first increases and then becomes saturated with increasing B2O3/SiO2 ratio in borate-silicate mixed glasses. Through Raman spectroscopy measurements, we have, in this work, found an implication for the intermediate range order (IRO) structural connection to the composition dependence of the C(p,conf) of borate-silicate mixed glasses. In the silica-rich compositions, the C(p,conf) rapidly increases with increasing B2O3 content. This is attributed to the increase of the content of the B-O-Si network units ([B2Si2O8](2-)) and 6-membered borate rings with 1 or 2 B(4). In the boron-rich compositions, the C(p,conf) is almost constant, independent of the increase in the B2O3/SiO2 ratio. This is likely attributed to the counteraction between the decrease of the fraction of two types of metaborate groups and the increase of the fraction of other borate superstructural units (particularly 6-membered borate rings). The overall results suggest that the glasses containing more types of superstructural units have a larger C(p,conf).

  2. Wave functions and low-order density matrices for a class of two-electron 'artificial atoms' embracing Hookean and Moshinsky models

    International Nuclear Information System (INIS)

    Holas, A.; Howard, I.A.; March, N.H.

    2003-01-01

    A class of model two-electron 'artificial atoms' is proposed which embraces both Hookean and Moshinsky models. Particle densities and spinless first-order density matrices are obtained for this class of models. These quantities and the interacting system kinetic energy can be calculated using the ground-state solution of an explicit single-particle radial Schroedinger equation

  3. QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals

    Directory of Open Access Journals (Sweden)

    Eduardo A. Castro

    2004-12-01

    Full Text Available We report the results of a calculation of the normal boiling points of a representative set of 200 organic molecules through the application of QSPR theory. For this purpose we have used a particular set of flexible molecular descriptors, the so called Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals. Although in general the results show suitable behavior to predict this physical chemistry property, the existence of some deviant behaviors points to a need to complement this index with some other sort of molecular descriptors. Some possible extensions of this study are discussed.

  4. Interatomic interaction effects on second-order momentum correlations and Hong-Ou-Mandel interference of double-well-trapped ultracold fermionic atoms

    Science.gov (United States)

    Brandt, Benedikt B.; Yannouleas, Constantine; Landman, Uzi

    2018-05-01

    Identification and understanding of the evolution of interference patterns in two-particle momentum correlations as a function of the strength of interatomic interactions are important in explorations of the nature of quantum states of trapped particles. Together with the analysis of two-particle spatial correlations, they offer the prospect of uncovering fundamental symmetries and structure of correlated many-body states, as well as opening vistas into potential control and utilization of correlated quantum states as quantum-information resources. With the use of the second-order density matrix constructed via exact diagonalization of the microscopic Hamiltonian, and an analytic Hubbard-type model, we explore here the systematic evolution of characteristic interference patterns in the two-body momentum and spatial correlation maps of two entangled ultracold fermionic atoms in a double well, for the entire attractive- and repulsive-interaction range. We uncover quantum-statistics-governed bunching and antibunching, as well as interaction-dependent interference patterns, in the ground and excited states, and interpret our results in light of the Hong-Ou-Mandel interference physics, widely exploited in photon indistinguishability testing and quantum-information science.

  5. On the use of big-bang method to generate low-energy structures of atomic clusters modeled with pair potentials of different ranges.

    Science.gov (United States)

    Marques, J M C; Pais, A A C C; Abreu, P E

    2012-02-05

    The efficiency of the so-called big-bang method for the optimization of atomic clusters is analysed in detail for Morse pair potentials with different ranges; here, we have used Morse potentials with four different ranges, from long- ρ = 3) to short-ranged ρ = 14) interactions. Specifically, we study the efficacy of the method in discovering low-energy structures, including the putative global minimum, as a function of the potential range and the cluster size. A new global minimum structure for long-ranged ρ = 3) Morse potential at the cluster size of n= 240 is reported. The present results are useful to assess the maximum cluster size for each type of interaction where the global minimum can be discovered with a limited number of big-bang trials. Copyright © 2011 Wiley Periodicals, Inc.

  6. Analytical dependence of effective atomic number on the elemental composition of matter and radiation energy in the range 10-1000 keV

    Science.gov (United States)

    Eritenko, A. N.; Tsvetiansky, A. L.; Polev, A. A.

    2018-01-01

    In the present paper, a universal analytical dependence of effective atomic number on the composition of matter and radiation energy is proposed. This enables one to consider the case of a strong difference in the elemental composition with respect to their atomic numbers over a wide energy range. The contribution of photoelectric absorption and incoherent and coherent scattering during the interaction between radiation and matter is considered. For energy values over 40 keV, the contribution of coherent scattering does not exceed approximately 10% that can be neglected at a further consideration. The effective atomic numbers calculated on the basis of the proposed relationships are compared to the results of calculations based on other methods considered by different authors on the basis of experimental and tabulated data on mass and atomic attenuation coefficients. The examination is carried out for both single-element (e.g., 6C, 14Si, 28Cu, 56Ba, and 82Pb) and multi-element materials. Calculations are performed for W1-xCux alloys (x = 0.35; x = 0.4), PbO, ther moluminescent dosimetry compounds (56Ba, 48Cd, 41Sr, 20Ca, 12Mg, and 11Na), and SO4 in a wide energy range. A case with radiation energy between the K- and L1-absorption edges is considered for 82Pb, 74W, 56Ba, 48Cd, and 38Sr. This enables to substantially simplify the calculation of the atomic number and will be useful in technical and scientific fields related to the interaction between X-ray/gamma radiation and matter.

  7. 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.

  8. Order of 2 March 1984 amending Order of 7 November 1979 on the setting up, within the Atomic Energy Commission, of a National Radioactive Waste Management Agency

    International Nuclear Information System (INIS)

    1984-01-01

    This Order amends the Order of 7th November 1979 concerning the setting up, within the CEA, of a National Radioactive Waste Management Agency (ANDRA). In connection with implementing waste storage operations, ANDRA's role remains unchanged; however, it seemed desirable to further strengthen research, development and assessment in the area of radioactive waste policy. These tasks are included in the CEA's responsibilities and are financed by its research budget. (NEA) [fr

  9. Periodic order and defects in Ni-based inverse opal-like crystals on the mesoscopic and atomic scale

    NARCIS (Netherlands)

    Chumakova, A. V.; Valkovskiy, G. A.; Mistonov, A. A.; Dyadkin, V. A.; Grigoryeva, N. A.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Petukhov, Andrei V.; Grigoriev, S. V.

    2014-01-01

    The structure of inverse opal crystals based on nickel was probed on the mesoscopic and atomic levels by a set of complementary techniques such as scanning electron microscopy and synchrotron microradian and wide-angle diffraction. The microradian diffraction revealed the mesoscopic-scale

  10. Atomic polarizabilities

    International Nuclear Information System (INIS)

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-01

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

  11. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-22

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

  12. Effect of gradual ordering of Ge/Sb atoms on chemical bonding: A proposed mechanism for the formation of crystalline Ge2Sb2Te5

    Science.gov (United States)

    Singh, Janpreet; Singh, Gurinder; Kaura, Aman; Tripathi, S. K.

    2018-04-01

    Using first principle calculations, we study the atomic arrangement and bonding mechanism in the crystalline phase of Ge2Sb2Te5 (GST). It is found that the stability of GST depends on the gradual ordering of Ge/Sb atoms. The configurations with different concentration of Ge/Sb in layers have been analyzed by the partial density of state, electron localization function and Bader charge distribution. The s and p-states of Ge atom alter with different stacking configurations but there is no change in Sb and Te atom states. Our findings show that the bonding between Ge-Te is not only responsible for the stability of GST alloy but can also predict which composition can show generic features of phase change material. As the number of Ge atoms near to vacancy layer decreases, Ge donates more charge. A growth model has been proposed for the formation of crystalline phase which justifies the structure models proposed in the literature.

  13. Effective atomic number and effective electron densities of some inorganic compounds for Compton effect in the gamma energy range 280 keV to 1115 keV

    International Nuclear Information System (INIS)

    Prasannakumar, S.; Umesh, T.K.

    2014-01-01

    The effective atomic number and effective electron densities of some inorganic compounds for Compton effect in the gamma energy range 280 keV to 1115 keV by using Compton scattering cross sections which are determined on a goniometer assembly. An ORTEC model 23210 gamma-x high purity germanium detector (HpGe) has been used to record the data along with a personal computer based MCA in the angular region 50°-110°. The effective atomic numbers so obtained were found to be equal to the total number of electrons present in the sample in accordance with the chemical formula. The results so obtained are of first of their kind at these energies and are expected to be important in a variety of applications of radiation physics and chemistry. (author)

  14. Characteristics of plutonium and americium contamination at the former U.K. atomic weapons test ranges at Maralinga and Emu

    International Nuclear Information System (INIS)

    Burns, P.A.; Cooper, M.B.; Lokan, K.H.; Wilks, M.J.; Williams, G.A.

    1995-01-01

    Physico-chemical studies on environmental plutonium are described, which provide data integral to an assessment of dose for the inhalation of artificial actinides by Australian Aborigines living a semi-traditional lifestyle at Maralinga and Emu, sites of U.K. atomic weapons tests between 1953 and 1963. The most significant area, from a radiological perspective, is the area contaminated by plutonium in a series of ''one point'' safety trials in which large quantities of plutonium were dispersed explosively at a location known as Taranaki. The activity distribution of plutonium and americium with particle size is quite different from the mass distribution, as a considerably higher proportion of the activity is contained in the finer (inhalable) fraction than of the mass. Except in areas which were disturbed through ploughing during a cleanup in 1967, most the activity remains in the top 1 cm of the surface. Much of the activity is in particulate form, even at distances > 20 km from the firing sites, and discrete particles have been located even at distances beyond 100 km. Data are presented which permit the assessment of annual committed doses through the inhalation pathway, for Aborigines living a semi-traditional lifestyle in the areas affected by the Taranaki firings in particular. (author)

  15. Atomic-scale observation of structural and electronic orders in the layered compound ?-RuCl3

    OpenAIRE

    Ziatdinov, M.; Banerjee, A.; Maksov, A.; Berlijn, T.; Zhou, W.; Cao, H. B.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Baddorf, A. P.; Kalinin, S. V.

    2016-01-01

    A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, ?-RuCl3. Our local crystal...

  16. The influence of atomic order on the magnetic and structural properties of the ferromagnetic shape memory compound Ni sub 2 MnGa

    CERN Document Server

    Kreissl, M; Stephens, T; Ziebeck, K R A

    2003-01-01

    The effect of atomic order on the martensitic phase transition and magnetic properties of stoichiometric Ni sub 2 MnGa has been investigated in a sample quenched from 1000 deg C. Magnetization, resistivity and x-ray diffraction measurements indicate that the structural phase transition occurs at approx 103 K, substantially lower than the value reported for samples quenched from 800 deg C and ordered in the Heusler L2 sub 1 structure. A small reduction in the ferromagnetic moment was also observed, although the Curie temperature remained largely unaffected. The electronic Sommerfeld coefficient obtained from heat capacity measurements is enhanced but smaller than that observed for the 800 deg C quenched sample. The results are consistent with band structure calculations and the electronic changes brought about by atomic disorder.

  17. Robust approach to maximize the range and accuracy of force application in atomic force microscopes with nonlinear position-sensitive detectors

    International Nuclear Information System (INIS)

    Silva, E C C M; Vliet, K J van

    2006-01-01

    The atomic force microscope is used increasingly to investigate the mechanical properties of materials via sample displacement under an applied force. However, both the extent of forces attainable and the accuracy of those forces measurements are significantly limited by the optical lever configuration that is commonly used to infer nanoscale deflection of the cantilever. We present a robust and general approach to characterize and compensate for the nonlinearity of the position-sensitive optical device via data processing, requiring no modification of existing instrumentation. We demonstrate that application of this approach reduced the maximum systematic error on the gradient of a force-displacement response from 50% to 5%, and doubled the calibrated force application range. Finally, we outline an experimental protocol that optimizes the use of the quasi-linear range of the most commonly available optical feedback configurations and also accounts for the residual systematic error, allowing the user to benefit from the full detection range of these indirect force sensors

  18. Charge-transfer cross sections of H+ ions in collisions with noble gas atoms in the energy range below 4.0 keV

    International Nuclear Information System (INIS)

    Kusakabe, Toshio; Sakaue, Hiroyuki A.; Tawara, Hiroyuki

    2011-01-01

    Charge-transfer cross sections in collisions of H + ions with the ground state He, Ar, Kr, and Xe atoms have been measured in the energy range below 4.0 keV with the initial growth rate method. These observed cross sections are also compared with previously published experimental data and theoretical predictions. In the He and Ar targets, it is found that some previous experimental data deviate significantly from the present observed cross sections as the collision energy decreases. It has been found that in the Kr and Xe targets, the energy dependence of the present observed cross sections behaves as “near-resonant” charge transfer. (author)

  19. Improved atomic data for electron-transport predictions by the codes TIGER and TIGERP: II. Electron stopping and range data

    International Nuclear Information System (INIS)

    Peek, J.M.; Halbleib, J.A.

    1983-04-01

    The electron stopping and range data now used in the TIGER and TIGERP electron-transport codes are extracted and compared with other data for these processes. At the smallest collision energies treated by these codes, E approx. 1 keV, the stopping-power is estimated to be accurate for small-Z targets, to be about 25 percent too small for Z near 36 and to be a factor of three too small for Z > 79. These errors decrease with increasing E and the largest error for any target is roughly 20 percent for E = 10 keV. The closely related continuous-slowing-down range is estimated, at 1 keV, to be about 25 percent too small for small-Z targets and a factor of 2 too large for large-Z targets. The electron-transport problem of reflection from planer surfaces is re-investigated with improved stopping-power data. The effects of this change for the examples considered were about the size of the statistical uncertainties in the calculation, 1 to 2 percent

  20. Intermediate-range order in mesoporous silicas investigated by a high-energy X-ray diffraction technique

    International Nuclear Information System (INIS)

    Wakihara, Toru; Fan, Wei; Ogura, Masaru; Okubo, Tatsuya; Kohara, Shinji; Sankar, Gopinathan

    2008-01-01

    We perform a high-energy X-ray diffraction study comparing bulk amorphous silica with MCM-41 and SBA-15 that are representative mesoporous silicas prepared in basic and acidic conditions, respectively. It is revealed that mesoporous silicas, especially SBA-15, have less ordered structures and contain larger fractions of three- and four-membered rings than does bulk amorphous silica. (author)

  1. Phase separation in Al-Zr-Sc alloys: from atomic jumps to ordered precipitates growth; Separation de phase dans les alliages Al-Zr-Sc: du saut des atomes a la croissance de precipites ordonnes

    Energy Technology Data Exchange (ETDEWEB)

    Clouet, E

    2004-07-01

    Zirconium and scandium addition to aluminium alloys leads to the formation of ordered precipitates. This study aims to a better understanding of precipitation kinetics thanks to an approach combining atomic and mesoscopic models. An experimental work has been undertaken too so as to characterize by transmission electron microscopy Al{sub 3}Zr kinetics of precipitation. We mainly focus on the nucleation stage and, in this purpose, an atomic model lying on a rigid lattice has been built for Al-Zr-Sc system allowing us to study precipitation with kinetic Monte Carlo simulations. While keeping the vacancy exchange mechanism for diffusion, we introduce multi-site interactions going thus beyond a simple pair interaction model, and test the influence of these interactions on kinetics of precipitation. The comparison between Monte Carlo simulations and classical nucleation theory shows that mesoscopic models can lead to a good description of the nucleation stage of Al{sub 3}Zr and Al{sub 3}Sc as long as the order tendency of the system has been taken into account to calculate input parameters of these models. For the ternary Al-Zr-Sc system, atomic simulations allow a better understanding of the precipitation kinetic path. It is then possible to extend the field of classical nucleation theory so as to model nucleation in a ternary alloy where the stoichiometry of the precipitates is unknown. (author)

  2. Oxygen vacancy defects in Ta{sub 2}O{sub 5} showing long-range atomic re-arrangements

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yuzheng; Robertson, John [Engineering Department, Cambridge University, Cambridge CB2 1PZ (United Kingdom)

    2014-03-17

    The structure, formation energy, and energy levels of the various oxygen vacancies in Ta{sub 2}O{sub 5} have been calculated using the λ phase model. The intra-layer vacancies give rise to unusual, long-range bonding rearrangements, which are different for each defect charge state. The 2-fold coordinated intra-layer vacancy is the lowest cost vacancy and forms a deep level 1.5 eV below the conduction band edge. The 3-fold intra-layer vacancy and the 2-fold inter-layer vacancy are higher cost defects, and form shallower levels. The unusual bonding rearrangements lead to low oxygen migration barriers, which are useful for resistive random access memory applications.

  3. Elastic electron differential cross sections for argon atom in the intermediate energy range from 40 eV to 300 eV

    Science.gov (United States)

    Ranković, Miloš Lj.; Maljković, Jelena B.; Tökési, Károly; Marinković, Bratislav P.

    2018-02-01

    Measurements and calculations for electron elastic differential cross sections (DCS) of argon atom in the energy range from 40 to 300 eV are presented. DCS have been measured in the crossed beam arrangement of the electron spectrometer with an energy resolution of 0.5 eV and angular resolution of 1.5∘ in the range of scattering angles from 20∘ to 126∘. Both angular behaviour and energy dependence of DCS are obtained in a separate sets of experiments, while the absolute scale is achieved via relative flow method, using helium as a reference gas. All data is corrected for the energy transmission function, changes of primary electron beam current and target pressure, and effective path length (volume correction). DCSs are calculated in relativistic framework by expressing the Mott's cross sections in partial wave expansion. Our results are compared with other available data.

  4. Effective atomic numbers and electron densities of bacteriorhodopsin and its comprising amino acids in the energy range 1 keV–100 GeV

    Energy Technology Data Exchange (ETDEWEB)

    Ahmadi, Morteza; Lunscher, Nolan [Waterloo Institute for Nanotechnology and Department of Systems Design Engineering, University of Waterloo, 200 University Ave., W., Waterloo, Ontario, Canada N2L 3G1 (Canada); Yeow, John T.W., E-mail: jyeow@uwaterloo.ca [Waterloo Institute for Nanotechnology and Department of Systems Design Engineering, University of Waterloo, 200 University Ave., W., Waterloo, Ontario, Canada N2L 3G1 (Canada)

    2013-04-01

    Recently, there has been an interest in fabrication of X-ray sensors based on bacteriorhodopsin, a proton pump protein in cell membrane of Halobacterium salinarium. Therefore, a better understanding of interaction of X-ray photons with bacteriorhodopsin is required. We use WinXCom program to calculate the mass attenuation coefficient of bacteriorhodopsin and its comprising amino acids for photon energies from 1 keV to 100 GeV. These amino acids include alanine, arginine, asparagine, aspartic acid, glutamine, glutamic acid, glycine, isoleucine, leucine, lysine, methionine, phenylalanine, proline, serine, threonine, tryptophan, tyrosine, valine, Asx1, Asx2, Glx1 and Glx2. We then use that data to calculate effective atomic number and electron densities for the same range of energy. We also emphasize on two ranges of energies (10–200 keV and 1–20 MeV) in which X-ray imaging and radiotherapy machines work.

  5. Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH.

    Science.gov (United States)

    Wallace, Jason A; Shen, Jana K

    2012-11-14

    Recent development of constant pH molecular dynamics (CpHMD) methods has offered promise for adding pH-stat in molecular dynamics simulations. However, until now the working pH molecular dynamics (pHMD) implementations are dependent in part or whole on implicit-solvent models. Here we show that proper treatment of long-range electrostatics and maintaining charge neutrality of the system are critical for extending the continuous pHMD framework to the all-atom representation. The former is achieved here by adding forces to titration coordinates due to long-range electrostatics based on the generalized reaction field method, while the latter is made possible by a charge-leveling technique that couples proton titration with simultaneous ionization or neutralization of a co-ion in solution. We test the new method using the pH-replica-exchange CpHMD simulations of a series of aliphatic dicarboxylic acids with varying carbon chain length. The average absolute deviation from the experimental pK(a) values is merely 0.18 units. The results show that accounting for the forces due to extended electrostatics removes the large random noise in propagating titration coordinates, while maintaining charge neutrality of the system improves the accuracy in the calculated electrostatic interaction between ionizable sites. Thus, we believe that the way is paved for realizing pH-controlled all-atom molecular dynamics in the near future.

  6. Atomic ordering of the fluorine dopant in the $HgBa_{2}CuO_{4+\\delta}high-T_{c}$ superconductor

    CERN Document Server

    Correia, João Guilherme; Araújo, João Pedro; Bordet, P; Haas, Heinz; Le Floc'h, S; Lopes, A M L; Rita, E; Carvalho-Soares, João

    2005-01-01

    Lattice sites and collective ordering of fluorine atoms in oxygen- reduced samples of HgBa/sub 2/CuO/sub 4/ were investigated with the perturbed angular correlation technique by measuring the electric field gradients induced at /sup 199m/Hg nuclei. The experimental data were interpreted with the help of ab initio calculations of charge distributions for different fluorine configurations in Hg/sub m/Ba /sub 2m/Cu/sub m/O/sub 4m/F/sub n/, supercells. Internal parameters were allowed to relax, to cancel residual atomic forces due to the dopant. The experimental results show clearly that fluorine occupies only the center of the mercury mesh. For a fluorine content delta F>~0.35 the best agreement with theoretical data is obtained under the assumption that fluorine shows a tendency toward ordering along interstitial rows parallel to a, b. In conformity with experimental data from diffraction techniques the calculations show elongations of the O(2)-Hg-O(2) dumbbell and barium shifts towards the fluorine atoms as ef...

  7. Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom.

    Science.gov (United States)

    Bischoff, Florian A; Harrison, Robert J; Valeev, Edward F

    2012-09-14

    We present an approach to compute accurate correlation energies for atoms and molecules using an adaptive discontinuous spectral-element multiresolution representation for the two-electron wave function. Because of the exponential storage complexity of the spectral-element representation with the number of dimensions, a brute-force computation of two-electron (six-dimensional) wave functions with high precision was not practical. To overcome the key storage bottlenecks we utilized (1) a low-rank tensor approximation (specifically, the singular value decomposition) to compress the wave function, and (2) explicitly correlated R12-type terms in the wave function to regularize the Coulomb electron-electron singularities of the Hamiltonian. All operations necessary to solve the Schrödinger equation were expressed so that the reconstruction of the full-rank form of the wave function is never necessary. Numerical performance of the method was highlighted by computing the first-order Møller-Plesset wave function of a helium atom. The computed second-order Møller-Plesset energy is precise to ~2 microhartrees, which is at the precision limit of the existing general atomic-orbital-based approaches. Our approach does not assume special geometric symmetries, hence application to molecules is straightforward.

  8. TEM study of long range ordering in a Ni-25Mo-8Cr alloy subjected to 4000 hour exposure

    International Nuclear Information System (INIS)

    Dymek, S.; Wrobel, M.; Blicharski, M.; Gazdowicz, J.

    1999-01-01

    The Ni-25Mo-8Cr (wt.%) alloy exhibits high-temperature strength and ductility, low thermal expansion characteristics, good oxidation resistance and excellent fabricability. The effect of prolong exposure to the working temperatures (650 o C-700 o C) on the stability of microstructure and deformation behaviour at this temperatures have not been fully understand yet. This research has been undertaken to fill this gap. The objective of this paper is to discuss the effects of 4000 hours exposure to temperature 650 o C on the stability of the ordered phase and its influence on the mechanical properties

  9. Timeresolved investigation of atomic order in tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) monocrystals after excitation with ultrashort light pulses

    International Nuclear Information System (INIS)

    Sager, Christian

    2011-02-01

    This thesis describes time-resolved investigations of the atomic structure of one-dimensional organic molecular crystals after laser excitation of the photo-induced phase transition. There is a neutral to ionic phase transition in tetrathiafulvalene-chloranil-crystals (TTF-CA-crystals). At this phase transition a Peierls distortion occurs. A new model is introduced, that can explain the photo-induced phase transition in TTF-CY-crystals. This model is called charge density wave model of photo induced structural phase transition. There is a structural phase transition in tetrathiafulvalene-tetracyanochinodimethane-crystals (TTF-TCNQ-crystals). At this phase transition the one-dimensional metal TTF-TCNQ is transformed to an insulator. The phase transition is driven by the Peierls distortion. The charge density wave model is appropriate for description of the processes in TTF-TCNQ-crystals after laser excitation. The results of time-resolved measurements of the structure of TTF-TCNQ-crystals after excitation of the photo-induced phase transition can be anticipated with the charge density wave model. In the basis of these anticipated results, a time-resolved measurement for investigation of the atomic structure of TTF-TCNQ after excitation of the photo-induced phase transition is proposed. The time-resolved measurement should be performed at a beamline of a third generation synchrotron by the optical pump X-ray probe technique. The time-resolved measurement is prepared by an optical characterization and by static X-ray diffraction measurements. The results of the optical characterization and the static X-ray diffraction measurements are presented and analyzed. (orig.)

  10. Temperature-dependent Gilbert damping of Co2FeAl thin films with different degree of atomic order

    Science.gov (United States)

    Kumar, Ankit; Pan, Fan; Husain, Sajid; Akansel, Serkan; Brucas, Rimantas; Bergqvist, Lars; Chaudhary, Sujeet; Svedlindh, Peter

    2017-12-01

    Half-metallicity and low magnetic damping are perpetually sought for spintronics materials, and full Heusler compounds in this respect provide outstanding properties. However, it is challenging to obtain the well-ordered half-metallic phase in as-deposited full Heusler compound thin films, and theory has struggled to establish a fundamental understanding of the temperature-dependent Gilbert damping in these systems. Here we present a study of the temperature-dependent Gilbert damping of differently ordered as-deposited Co2FeAl full Heusler compound thin films. The sum of inter- and intraband electron scattering in conjunction with the finite electron lifetime in Bloch states governs the Gilbert damping for the well-ordered phase, in contrast to the damping of partially ordered and disordered phases which is governed by interband electronic scattering alone. These results, especially the ultralow room-temperature intrinsic damping observed for the well-ordered phase, provide fundamental insights into the physical origin of the Gilbert damping in full Heusler compound thin films.

  11. Connection between kinetic phenomena and atomic ordering processes and electronic structure of Ni3(FeMe)-type alloys

    International Nuclear Information System (INIS)

    Vasil'eva, R.P.; Arkhipov, Yu.N.; Narkulov, N.; Fadin, V.P.

    1978-01-01

    The results are presented of the measurements of the Hall and the Nernst-Ettingshausen effect and of thermal emf, electric resistivity and magnetization measurements in alloys Ni 3 (FeMe), where Me is Mo, Cr, W. The concentration of additions is not higher than 12.5%. The relationship of the kinetic phenomena with peculiarities of the electron structure and ordering processes is investigated. The obtained data show that the Hall and Nernst-Ettingshausen electromotive forces in the investigated alloys have positive values. The effects of the concentration variations of the investigated phenomena manifest themselves stronger in ordered state, this testifyies to a considerable increase of the part, the hole sections of the Fermi surface play. The investigation enables some conclusions to be made on the energy characteristics of these alloys as a function of the variation of the concentration composition of the alloys and the ordering processes

  12. Deuterium short-range order in Pd0.975Ag0.025D0.685 by diffuse neutron scattering

    DEFF Research Database (Denmark)

    Blaschko, O.; Klemencic, R.; Fratzl, P.

    1983-01-01

    By diffuse neutron scattering the D short-range order in a Pd0.975Ag0.025D0.685 crystal was investigated at 50 and 70K. The results are compared with the D ordering in the PdDx system previously investigated, and it is shown that the isointensity contours around the (1/2,1,0) point are similar...

  13. Emissive properties of xenon ions from a laser-produced plasma in the 100-140 Aa spectral range: Atomic-physics analysis of the experimental data

    International Nuclear Information System (INIS)

    Gilleron, F.; Poirier, M.; Blenski, T.; Schmidt, M.; Ceccotti, T.

    2003-01-01

    In order to design extreme ultraviolet (EUV) sources for nanolithography, xenon EUV emission has been experimentally studied in a plasma generated by the interaction of a high-power laser with a droplet jet. A theoretical model assuming that the resulting plasma is optically thick allows one to find the distribution of the relevant ions and transitions involved in the emission process. Atomic physics computations are performed using the HULLAC code to give a detailed account of the transitions involved. The importance of 4p-4d, 4d-4f, and 4d-5p transitions is stressed, as well as the need for configuration-interaction treatment of the Δn=0 transitions. Comparisons of a modeled local thermodynamical equilibrium spectrum with experiment provides qualitative agreement and permits an estimate of the plasma temperature, density, and dimensions

  14. Stochastic reduced-order model for an automotive vehicle in presence of numerous local elastic modes in the low-frequency range

    OpenAIRE

    Arnoux , A.; Batou , Anas; Soize , Christian; Gagliardini , L.

    2012-01-01

    International audience; This paper is devoted to the construction of a stochastic reduced-order model for dynamical structures having a high modal density in the low-frequency range, such as an automotive vehicle. This type of structure is characterized by the fact that it exhibits, in the low-frequency range, not only the classical global elastic modes but also numerous local elastic modes which cannot easily be separated from the global elastic modes. An approach has recently been proposed ...

  15. Short- and long-range polar order contributions to the Ferroelectric phase of Ca.sup.2+./sup. doped SrTiO.sub.3./sub.

    Czech Academy of Sciences Publication Activity Database

    Markovin, P.A.; Trepakov, Vladimír; Guzhva, M.E.; Razdobarin, A.G.; Tagantsev, A. K.; Andreev, D. A.; Dejneka, Alexandr

    2016-01-01

    Roč. 3, č. 11 (2016), s. 1-12, č. článku 115705. ISSN 2053-1591 R&D Projects: GA ČR GA15-13778S Institutional support: RVO:68378271 Keywords : quantum paraelectrics * impurities and defects * low-temperature polar state * ferroelectric phase * long-range order * short-range Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.068, year: 2016

  16. Toward Monte Carlo simulation of general cases of static muon spin relaxation in disordered magnetic materials: long-range magnetic order in alloys

    International Nuclear Information System (INIS)

    Noakes, D.R.

    2001-01-01

    Monte Carlo simulations of zero-field (ZF) muon spin relaxation (μSR) functions generated by long-range-ordered states with disorder are presented, for the completely static limit. Understanding of this is necessary before Monte Carlo simulation of the effect of short-range magnetic ordering on μSR in spin glasses can begin. Alloy disorder, controlled by the magnetic ion concentration parameter f m , and partial ordering of each moment, controlled by the order parameter f o , are considered. Qualitatively different behavior is seen depending on whether the dense moment, perfect-order limit ( f m =1, f o =1) field at the muon site is non-zero, or cancels (as can happen in high-symmetry materials). Around the edges of the two-dimensional ( f m ,f o ) parameter space, four limit cases with qualitatively different behavior are identified: (A) f o →0, the random frozen spin glass for arbitrary magnetic ion concentration; (B) f o →1, nearly perfect magnetic ordering in a alloy of arbitrary magnetic ion concentration; (C) f m →0, magnetic order developing (as f o increases) in a dilute magnetic alloy; (D) f m →1, magnetic order developing (as f o increases) in a dense magnetic material. Case A was discussed in a previous publication. The results for case D answer the question of how the Gaussian Kubo-Toyabe relaxation function for perfect disorder develops into an oscillating function as magnetic order develops in a material. Case C indicates that the effects of magnetic ordering in the dilute moment limit produce only subtle effects in ZF-μSR spectra that would be difficult to unambiguously identify as due to ordering in a real-world experiment. Case B generates complicated multi-frequency behavior

  17. Collimated proton pencil-beam scanning for superficial targets: impact of the order of range shifter and aperture

    Science.gov (United States)

    Bäumer, C.; Janson, M.; Timmermann, B.; Wulff, J.

    2018-04-01

    To assess if apertures shall be mounted upstream or downstream of a range shifting block if these field-shaping devices are combined with the pencil-beam scanning delivery technique (PBS). The lateral dose fall-off served as a benchmark parameter. Both options realizing PBS-with-apertures were compared to the uniform scanning mode. We also evaluated the difference regarding the out-of-field dose caused by interactions of protons in beam-shaping devices. The potential benefit of the downstream configuration over the upstream configuration was estimated analytically. Guided by this theoretical evaluation a mechanical adapter was developed which transforms the upstream configuration provided by the proton machine vendor to a downstream configuration. Transversal dose profiles were calculated with the Monte-Carlo based dose engine of the commercial treatment planning system RayStation 6. Two-dimensional dose planes were measured with an ionization chamber array and a scintillation detector at different depths and compared to the calculation. Additionally, a clinical example for the irradiation of the orbit was compared for both PBS options and a uniform scanning treatment plan. Assuming the same air gap the lateral dose fall-off at the field edge at a few centimeter depth is 20% smaller for the aperture-downstream configuration than for the upstream one. For both options of PBS-with-apertures the dose fall-off is larger than in uniform scanning delivery mode if the minimum accelerator energy is 100 MeV. The RayStation treatment planning system calculated the width of the lateral dose fall-off with an accuracy of typically 0.1 mm–0.3 mm. Although experiments and calculations indicate a ranking of the three delivery options regarding lateral dose fall-off, there seems to be a limited impact on a multi-field treatment plan.

  18. Local atomic structure and chemical order in amorphous SiGe:H and SiC:H alloys

    International Nuclear Information System (INIS)

    Pisarkiewicz, T.; Stapinski, T.

    1994-01-01

    The local structure and chemical ordering in amorphous hydrogenated silicon-germanium and silicon-carbon alloys were analyzed mainly with the help of extended x-ray absorption fine structure (EXAFS) spectroscopy, Raman scattering and electron diffraction. Ge-Ge and Ge-Si distances were found to be independent of concentration and the composition of the first coordination shell around Ge is consistent with a random mixing of the two species in a-Si 1-x Ge:H alloy. The first-coordination-shell average bond lengths for Si-Si and SiC in a-Si 1-x C x :H are also constant with concentration x and the comparison of the first coordination shell composition around Si with average concentration indicates that the alloys tends to be chemically ordered. The degree of crystallinity in microcrystalline Si films determined by EXAFS is in agreement with that obtained in Raman scattering analysis. (author). 16 refs, 5 figs

  19. Order to initiate a plan approval procedure under atomic energy law - final waste disposal site Salzgitter ('Konrad' pit)

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    The extend and limits up to which an order under Article 85 III of the Basic Law is binding follows directly from the competential rights the Basic Law assigns to the Federal Government and the state governments. An infringement of these rights can only be asserted before the Federal Constitutional Court as a Federal Government-State Government conflict. 2. On the interpretation and application of Article 85 III of the Basic Law. (orig.) [de

  20. Radiative nonrecoil nuclear finite size corrections of order α(Zα)5 to the Lamb shift in light muonic atoms

    Science.gov (United States)

    Faustov, R. N.; Martynenko, A. P.; Martynenko, F. A.; Sorokin, V. V.

    2017-12-01

    On the basis of quasipotential method in quantum electrodynamics we calculate nuclear finite size radiative corrections of order α(Zα) 5 to the Lamb shift in muonic hydrogen and helium. To construct the interaction potential of particles, which gives the necessary contributions to the energy spectrum, we use the method of projection operators to states with a definite spin. Separate analytic expressions for the contributions of the muon self-energy, the muon vertex operator and the amplitude with spanning photon are obtained. We present also numerical results for these contributions using modern experimental data on the electromagnetic form factors of light nuclei.

  1. Experimental study of the third-order nonlinearity of atomic and molecular gases using 10-μm laser pulses

    Science.gov (United States)

    Pigeon, J. J.; Tochitsky, S. Ya.; Welch, E. C.; Joshi, C.

    2018-04-01

    We present measurements of the third-order optical nonlinearity of Kr, Xe, N2, O2, and air at a wavelength near 10 µm by using four-wave mixing of ˜15 -GW /c m2 , 200-ps (full width at half maximum) C O2 laser pulses. Measurements in molecular gases resulted in an asymmetric four-wave mixing spectrum indicating that the nonlinear response is strongly affected by the delayed, rotational contribution to the effective nonlinear refractive index. Within the uncertainty of our measurements, we have found that the long-wavelength nonlinear refractive indices of these gases are consistent with measurements performed in the near IR.

  2. The key point of fragmentation of quasiparticle-phonon configurations in the order-disorder transformations of atomic nuclei

    International Nuclear Information System (INIS)

    Solov'ev, V.G.

    1993-01-01

    To find out at what excitation energies the order-disorder transformations occur in intermediate and heavy nuclei, it is suggested to study fragmentation of multiquasiparticle and quasiparticle-phonon configurations. One-nucleon transfer reactions on odd-odd targets, for instance on 176 Lu and 180 Ta, should be taken as a particular case of fragmentation of three-quasiparticle configurations on the long living isomer 178 m 2 Hf-fragmentation of five-quasiparticle configurations. From the analysis of γ-decay of high-spin isomers one can information on fragmentation of quasi-phonon configurations

  3. Electronic structure of disordered alloys - I: self-consistent cluster CPA incorporating off-diagonal disorder and short-range order

    International Nuclear Information System (INIS)

    Kumar, V.; Mookerjee, A.; Srivastava, V.K.

    1980-09-01

    We have developed here a self-consistent coherent potential approximation generalized to take into account effect of clusters. Off-diagonal disorder and short-range order are taken into account. A graphical method married to the recursion technique, enables us to work on realistic three-dimensional lattices. Calculations are shown for a binary alloy on a diamond lattice. (author)

  4. Neutron scattering studies of the coexistence of long-range magnetic order and superconductivity in Dy12Mo6S8 and Tb12Mo6S8

    International Nuclear Information System (INIS)

    Thomlinson, W.; Shirane, G.; Moncton, D.E.; Ishikawa, M.; Fischer, O.

    1978-10-01

    Both Dy 1 2 Mo 6 S 8 and Tb 1 2 Mo 6 S 8 are superconducting below T/sub c/ = 2.05 K. Neutron scattering studies show that these compounds in zero applied magnetic field develop long-range antiferromagnetic order (greater than 300 A) at T/sub M/ = 0.4 K and T/sub M/ = 1.0 K, respectively, which does not destroy the superconducting state. Magnetization measurements at temperatures below T/sub M/ suggest the development of ferromagnetic order as the applied magnetic field increases. In the case of Tb 1 2 Mo 6 S 8 the neutron data show long-range ferromagnetic order developing for H greater than or equal to H/sub c2/ = 1.9 kOe where H/sub c2/ is the upper critical field for superconductivity. However, for Dy 1 2 Mo 6 S 8 long-range ferromagnetic order begins to develop at H = 200 Oe, a field much less than H/sub c2/ = 1.2 kOe. As the ferromagnetic intensity increases, the antiferromagnetic intensity decreases. Between H = 200 Oe and H = 1.2 kOe both ferromagnetic and antiferromagnetic order occur with the sample in the superconducting state

  5. Atom spectroscopy

    International Nuclear Information System (INIS)

    Kodling, K.

    1981-01-01

    Experiments on atom photoabsorption spectroscopy using synchrotron radiation in the 10-1000 eV range are reviewed. Properties of the necessary synchrotron radiation and the experiment on absorption spectroscopy are briefly described. Comparison with other spectroscopy methods is conducted. Some data on measuring photoabsorption, photoelectron emission and atom mass spectra are presented [ru

  6. Characterizing the Atomic Structure in Low Concentrations of Weakly Ordered, Weakly Scattering Materials Using the Pair Distribution Function

    Science.gov (United States)

    Terban, Maxwell W.

    Nanoscale structural characterization is critical to understanding the physical underpinnings of properties and behavior in materials with technological applications. The work herein shows how the pair distribution function technique can be applied to x-ray total scattering data for material systems which weakly scatter x-rays, a typically difficult task due to the poor signal-to-noise obtained from the structures of interest. Characterization and structural modeling are demonstrated for a variety of molecular and porous systems, along with the detection and characterization of disordered, minority phases and components. In particular, reliable detection and quantitative analysis are demonstrated for nanocrystals of an active pharmaceutical ingredient suspended in dilute solution down to a concentration of 0.25 wt. %, giving a practical limit of detection for ordered nanoscale phases within a disordered matrix. Further work shows that minority nanocrystalline phases can be detected, fingerprinted, and modeled for mixed crystalline and amorphous systems of small molecules and polymers. The crystallization of amorphous lactose is followed under accelerated aging conditions. Melt quenching is shown to produce a different local structure than spray drying or freeze drying, along with increased resistance to crystallization. The initial phases which form in the spray dried formulation are identified as a mixture of polymorphs different from the final alpha-lactose monohydrate form. Hard domain formation in thermoplastic polyurethanes is also characterized as a function of methylene diphenyl diisocyanate and butanediol component ratio, showing that distinct and different hard phase structures can form and are solved by indexing with structures derived from molecular dynamics relaxation. In both cases, phase fractions can be quantified in the mixed crystalline and amorphous systems by fitting with both standards or structure models. Later chapters, demonstrate pair

  7. Interaction of complex atoms with radiation

    International Nuclear Information System (INIS)

    Amus'ya, M.Ya.

    1984-01-01

    Different manifestations of multielectron atomic structure under photoionization are discussed. Collectivization of external electron shells essential both in production cross section and in angular distribution as well as in photoelectron polarization are noted. In a wide range of quantum energies (of the order of ionization potential) an incident electron scattering on the atom irradiates quite differently than on the potential. It polarizes atoms mainly dipolarly, and virtually excited atom emits ''bremsstrahlung'' quantum. With energy growth of the incident electron at small momentum transferred to it by the atom the role of the second mechanism turns to be determinant

  8. Optimization of planar metallic nonrefracting transmission-grating profiles for M/sup th/-order intensity maximization in the soft x-ray range

    International Nuclear Information System (INIS)

    Tatchyn, R.; Csonka, P.L.; Lindau, I.

    1982-01-01

    In this paper, we derive the thickness profiles of metallic transmission-grating bars which maximize either the power throughput into the m/sup th/ diffracted order or the ratio of the m/sup th/-order diffracted power to the total output power (in the soft x-ray range). The derivation is performed for both general and symmetric bar shapes and for the two physically important cases of continuous gratings and gratings with integral bars. The solutions derived are shown to be valid for cases where the optical constants are generalized to be functions of position in a direction perpendicular to the grating bars. Examples of some optimum profiles for gold in the soft x-ray range are computed on the basis of the presented analysis and tabulated for convenient reference. 18 references

  9. Determination of frequencies of atomic oscillations along the fourth order symmetry axis in indium arsenide according to thermal diffusion scattering of X-rays

    International Nuclear Information System (INIS)

    Orlova, N.S.

    1978-01-01

    Intensity of diffusion scattering of X-rays from the plane of a monocrystal of indium arsenide has been measured on the monochromatized CuKsub(α)-radiation. The samples are made of Cl indium arsenide monocrystal of the n-type with the 1x10 18 cm -3 concentration of carriers in the form of a plate with the polished parallel cut-off with the +-5' accuracy. The investigations have been carried out on the URS-5 IM X-ray diffractometer at room temperature in vacuum. Intensities of thermal diffusion scattering of the second order have been calculated by the two-atomic chain model with different mass and four interaction paramaters. Based upon the analysis of intensity of single-phonon diffusion scattering the curves of frequencies of atomic oscillations along the direction [100] have been determined. The values of frequencies obtained experimentally on the thermal diffusion scattering of X-rays are in a satisfactory agreement with the calculated data. The frequencies obtained are compared with the results of calculation and the analysis of multiphonon spectra of IR-absorption made elsewhere

  10. Mixed hyperfine interaction - a tool to investigate the short range order and the strange magnetic behaviour of amorphous Fe-based binary alloys

    International Nuclear Information System (INIS)

    Fries, S.M.; Crummenauer, J.; Gonser, U.; Schaaf, P.; Chien, C.L.

    1989-01-01

    The Moessbauer study of the mixed magnetic dipole and electric quadrupole interaction in the paramagnetic state of amorphous Fe-Zr and Fe-Hf alloys is presented. Strong evidence for chemical short range order of the iron-pure alloys is found. The hyperfine parameters of the iron-rich alloys are marked by a complex applied field and temperature dependence, suggesting a not negligible spin-correlation well above Tc. (orig.)

  11. 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)

  12. Radiative nonrecoil nuclear finite size corrections of order α(Zα5 to the Lamb shift in light muonic atoms

    Directory of Open Access Journals (Sweden)

    R.N. Faustov

    2017-12-01

    Full Text Available On the basis of quasipotential method in quantum electrodynamics we calculate nuclear finite size radiative corrections of order α(Zα5 to the Lamb shift in muonic hydrogen and helium. To construct the interaction potential of particles, which gives the necessary contributions to the energy spectrum, we use the method of projection operators to states with a definite spin. Separate analytic expressions for the contributions of the muon self-energy, the muon vertex operator and the amplitude with spanning photon are obtained. We present also numerical results for these contributions using modern experimental data on the electromagnetic form factors of light nuclei. Keywords: Lamb shift, Muonic atoms, Quantum electrodynamics

  13. Classification of X-ray spectra from laser produced plasmas of atoms from Tm to Pt in the range 6-9A

    International Nuclear Information System (INIS)

    Mandelbaum, P.; Klapisch, M.; Bar-Shalom, A.; Schwob, J.L.; Zigler, A.

    1983-01-01

    X-ray spectra of highly ionized tungsten and neighbouring atoms (Tm, Yb, Hf, Ta, W, Re and Pt) has been observed from laser produced plasmas in the lambda = 6-9A range. Beside the prominent lines of the Ni I-like ions, lines belonging to Co I (3d 9 -3d 8 4p), Cu I (3d 10 4s-3d 9 4s4p, 3d 10 4p-3d 9 4p 2 ) and Zn I-like ions (3d 10 4s 2 -3d 9 4s 2 4p, 3d 10 4s4p-3d 9 4s4p 2 ) have been identified. Classification was based on isoelectronic sequence analysis and on comparison with ab-initio relativistic calculations. A collisional-radiative model of the Cu I-like ions in the plasma is used to show that the contribution of the 3d 10 4d-3d 9 4p4d and 3d 10 4f-3d 9 4f4p transition arrays to the 3d-4p spectrum is small. The importance of configuration interaction is pointed out. Computations agree with measurements within experimental uncertainty. (Auth.)

  14. Absence of magnetic long-range order in Y2CrSbO7 : Bond-disorder-induced magnetic frustration in a ferromagnetic pyrochlore

    Science.gov (United States)

    Shen, L.; Greaves, C.; Riyat, R.; Hansen, T. C.; Blackburn, E.

    2017-09-01

    The consequences of random nonmagnetic-ion dilution for the pyrochlore family Y2(M 1 -xN x)2O7 (M = magnetic ion, N = nonmagnetic ion) have been investigated. As a first step, we experimentally examine the magnetic properties of Y2CrSbO7 (x =0.5 ), in which the magnetic sites (Cr3 +) are percolative. Although the effective Cr-Cr spin exchange is ferromagnetic, as evidenced by a positive Curie-Weiss temperature, ΘCW ≃19.5 K , our high-resolution neutron powder diffraction measurements detect no sign of magnetic long-range order down to 2 K. In order to understand our observations, we construct a lattice model to numerically study the bond disorder introduced by the ionic size mismatch between M and N , which reveals that the bond disorder percolates at xb ≃0.23 , explaining the absence of magnetic long-range order. This model could be applied to a series of frustrated magnets with a pyrochlore sublattice, for example, the spinel compound Zn (Cr1 -xGax )2O4 , wherein a Néel to spin glass phase transition occurs between x =0.2 and 0.25 [Lee et al., Phys. Rev. B 77, 014405 (2008), 10.1103/PhysRevB.77.014405]. Our study stresses the non-negligible role of bond disorder on magnetic frustration, even in ferromagnets.

  15. Short range charge/orbital ordering in La1-xSrxMn1-zBzO3 (B Cu,Zn) manganites

    International Nuclear Information System (INIS)

    Popovic, Z V; Cantarero, A; Thijssen, W H A; Paunovic, N; Dohcevic-Mitrovic, Z; Sapina, F

    2005-01-01

    We have measured the reflectivity spectra of La 1-x Sr x Mn 1-z B z O 3 (B = Cu, Zn; 0.17 ≤ x ≤ 0.30; 0 ≤ z ≤ 0.10) manganites over wide frequency (100-4000 cm -1 ) and temperature (80-300 K) ranges. Besides the previously observed infrared active modes or mode pairs at about 160 cm -1 (external mode), 350 cm -1 (bond bending mode) and 590 cm -1 (bond stretching mode), we have clearly observed two additional phonon modes at about 645 and 720 cm -1 below the temperature T 1 (T 1 C ), which coincides with the phase transition temperature when the system transforms from ferromagnetic metallic into a ferromagnetic insulator state. This transition is related to the formation of short range charge/orbitally ordered domains. The temperature T 1 of the phase transition is dependent on the doping concentration and for optimally doped samples we have found that T 1 ∼(0.93 ± 0.02) T C . Electrical resistivity and magnetization measurements versus temperature and magnetic field support the short range charge/orbital ordering scenario

  16. Prediction and synthesis of a family of atomic laminate phases with Kagomé-like and in-plane chemical ordering

    Science.gov (United States)

    Dahlqvist, Martin; Lu, Jun; Meshkian, Rahele; Tao, Quanzheng; Hultman, Lars; Rosen, Johanna

    2017-01-01

    The enigma of MAX phases and their hybrids prevails. We probe transition metal (M) alloying in MAX phases for metal size, electronegativity, and electron configuration, and discover ordering in these MAX hybrids, namely, (V2/3Zr1/3)2AlC and (Mo2/3Y1/3)2AlC. Predictive theory and verifying materials synthesis, including a judicious choice of alloying M from groups III to VI and periods 4 and 5, indicate a potentially large family of thermodynamically stable phases, with Kagomé-like and in-plane chemical ordering, and with incorporation of elements previously not known for MAX phases, including the common Y. We propose the structure to be monoclinic C2/c. As an extension of the work, we suggest a matching set of novel MXenes, from selective etching of the A-element. The demonstrated structural design on simultaneous two-dimensional (2D) and 3D atomic levels expands the property tuning potential of functional materials. PMID:28776034

  17. Absence of magnetic long range order in Ba3ZnRu2O9. A spin-liquid candidate in the S = 3/2 dimer lattice

    International Nuclear Information System (INIS)

    Terasaki, Ichiro; Igarashi, Taichi; Nagai, Takayuki

    2017-01-01

    We have discovered a novel candidate for a spin liquid state in a ruthenium oxide composed of dimers of S = 3/2 spins of Ru 5+ , Ba 3 ZnRu 2 O 9 . This compound lacks a long range order down to 37 mK, which is a temperature 5000-times lower than the magnetic interaction scale of around 200 K. Partial substitution for Zn can continuously vary the magnetic ground state from an antiferromagnetic order to a spin-gapped state through the liquid state. This indicates that the spin-liquid state emerges from a delicate balance of inter- and intra-dimer interactions, and the spin state of the dimer plays a vital role. This unique feature should realize a new type of quantum magnetism. (author)

  18. Temperature dependence of the short-range order parameter and the concentration dependence of the order disorder temperature for Ni-Pt and Ni-Fe systems in the improved statistical pseudopotential approximation

    International Nuclear Information System (INIS)

    Khwaja, F.A.

    1980-08-01

    The calculations for the temperature dependence of the first shell short-range order (SRO) parameter for Ni 3 Fe using the cubic approximation of Tahir Kheli, and the concentration dependence of order-disorder temperature Tsub(c) for Ni-Fe and Ni-Pt systems using the linear approximation, have been carried out in the framework of pseudopotential theory. It is shown that the cubic approximation yields a good agreement between the theoretical prediction of the α 1 and the experimental data. Results for the concentration dependence of the Tsub(c) show that improvements in the statistical pseudo-potential approach are essential to achieve a good agreement with experiment. (author)

  19. All-optical 1st- and 2nd-order differential equation solvers with large tuning ranges using Fabry-Pérot semiconductor optical amplifiers.

    Science.gov (United States)

    Chen, Kaisheng; Hou, Jie; Huang, Zhuyang; Cao, Tong; Zhang, Jihua; Yu, Yuan; Zhang, Xinliang

    2015-02-09

    We experimentally demonstrate an all-optical temporal computation scheme for solving 1st- and 2nd-order linear ordinary differential equations (ODEs) with tunable constant coefficients by using Fabry-Pérot semiconductor optical amplifiers (FP-SOAs). By changing the injection currents of FP-SOAs, the constant coefficients of the differential equations are practically tuned. A quite large constant coefficient tunable range from 0.0026/ps to 0.085/ps is achieved for the 1st-order differential equation. Moreover, the constant coefficient p of the 2nd-order ODE solver can be continuously tuned from 0.0216/ps to 0.158/ps, correspondingly with the constant coefficient q varying from 0.0000494/ps(2) to 0.006205/ps(2). Additionally, a theoretical model that combining the carrier density rate equation of the semiconductor optical amplifier (SOA) with the transfer function of the Fabry-Pérot (FP) cavity is exploited to analyze the solving processes. For both 1st- and 2nd-order solvers, excellent agreements between the numerical simulations and the experimental results are obtained. The FP-SOAs based all-optical differential-equation solvers can be easily integrated with other optical components based on InP/InGaAsP materials, such as laser, modulator, photodetector and waveguide, which can motivate the realization of the complicated optical computing on a single integrated chip.

  20. Study of long-range orders of hard-core bosons coupled to cooperative normal modes in two-dimensional lattices

    Science.gov (United States)

    Ghosh, A.; Yarlagadda, S.

    2017-09-01

    Understanding the microscopic mechanism of coexisting long-range orders (such as lattice supersolidity) in strongly correlated systems is a subject of immense interest. We study the possible manifestations of long-range orders, including lattice-supersolid phases with differently broken symmetry, in a two-dimensional square lattice system of hard-core bosons (HCBs) coupled to archetypal cooperative/coherent normal-mode distortions such as those in perovskites. At strong HCB-phonon coupling, using a duality transformation to map the strong-coupling problem to a weak-coupling one, we obtain an effective Hamiltonian involving nearest-neighbor, next-nearest-neighbor, and next-to-next-nearest-neighbor hoppings and repulsions. Using stochastic series expansion quantum Monte Carlo, we construct the phase diagram of the system. As coupling strength is increased, we find that the system undergoes a first-order quantum phase transition from a superfluid to a checkerboard solid at half-filling and from a superfluid to a diagonal striped solid [with crystalline ordering wave vector Q ⃗=(2 π /3 ,2 π /3 ) or (2 π /3 ,4 π /3 )] at one-third filling without showing any evidence of supersolidity. On tuning the system away from these commensurate fillings, checkerboard supersolid is generated near half-filling whereas a rare diagonal striped supersolid is realized near one-third filling. Interestingly, there is an asymmetry in the extent of supersolidity about one-third filling. Within our framework, we also provide an explanation for the observed checkerboard and stripe formations in La2 -xSrxNiO4 at x =1 /2 and x =1 /3 .

  1. Isolation of a new two-dimensional honeycomb carbonato-bridged copper(II) complex exhibiting long-range ferromagnetic ordering.

    Science.gov (United States)

    Majumder, Arpi; Choudhury, Chirantan Roy; Mitra, Samiran; Rosair, Georgina M; El Fallah, M Salah; Ribas, Joan

    2005-04-28

    Atmospheric CO2 fixation by an aqueous solution containing Cu(ClO4)2.6H2O and 4-aminopyridine (4-apy) yields a novel example of a two-dimensional mu3-CO3 bridged copper(II) complex {[Cu(4-apy)2]3(mu3-CO3)2(ClO4)2.(1/2)CH3OH}n that has been characterized by IR, UV and X-ray crystallography; preliminary magnetic measurements show that complex exhibits long-range ordered ferromagnetic coupling.

  2. Photoelectric atomic absorption cross sections for elements Z = 6 to 54 in the medium energy X-ray range (5 to 25 keV). Pt. 1

    International Nuclear Information System (INIS)

    Hildebrandt, G.; Stephenson, J.D.; Wagenfeld, H.

    1975-01-01

    Photoelectric atomic absorption cross sections have been calculated by means of hydrogen-like eigenfunctions for the atomic K, L, M and N sub-shells of the elements Z = 6 to 54, using revised screening constants and an extension of the theory. The absorption cross sections have been further separated into dipole and quadrupole components so that the numerical data can also be applied to the Borrmann effect. (orig.) [de

  3. Growth of epitaxially oriented Ag nanoislands on air-oxidized Si(1 1 1)-(7 × 7) surfaces: Influence of short-range order on the substrate

    International Nuclear Information System (INIS)

    Roy, Anupam; Bhattacharjee, K.; Ghatak, J.; Dev, B.N.

    2012-01-01

    Clean Si(1 1 1)-(7 × 7) surfaces, followed by air-exposure, have been investigated by reflection high-energy electron diffraction (RHEED) and scanning tunneling microscopy (STM). Fourier transforms (FTs) of STM images show the presence of short-range (7 × 7) order on the air-oxidized surface. Comparison with FTs of STM images from a clean Si(1 1 1)-(7 × 7) surface shows that only the 1/7th order spots are present on the air-oxidized surface. The oxide layer is ∼2-3 nm thick, as revealed by cross-sectional transmission electron microscopy (XTEM). Growth of Ag islands on these air-oxidized Si(1 1 1)-(7 × 7) surfaces has been investigated by in situ RHEED and STM and ex situ XTEM and scanning electron microscopy. Ag deposition at room temperature leads to the growth of randomly oriented Ag islands while preferred orientation evolves when Ag is deposited at higher substrate temperatures. For deposition at 550 °C face centered cubic Ag nanoislands grow with a predominant epitaxial orientation [11 ¯ 0] Ag ||[11 ¯ 0] Si , (1 1 1) Ag || (1 1 1) Si along with its twin [1 ¯ 10] Ag ||[11 ¯ 0] Si , (1 1 1) Ag || (1 1 1) Si , as observed for epitaxial growth of Ag on Si(1 1 1) surfaces. The twins are thus rotated by a 180° rotation of the Ag unit cell about the Si[1 1 1] axis. It is intriguing that Ag nanoislands follow an epitaxial relationship with the Si(1 1 1) substrate in spite of the presence of a 2-3 nm thick oxide layer between Ag and Si. Apparently the short-range order on the oxide surface influences the crystallographic orientation of the Ag nanoislands.

  4. Study of structural order in porphyrin-fullerene dyad ZnDHD6ee monolayers by electron diffraction and atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    D' yakova, Yu. A.; Suvorova, E. I.; Orekhov, Andrei S.; Orekhov, Anton S. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Alekseev, A. S. [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation); Gainutdinov, R. V.; Klechkovskaya, V. V., E-mail: klechvv@ns.crys.ras.ru; Tereschenko, E. Yu. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Tkachenko, N. V.; Lemmetyinen, H. [Tampere University of Technology (Finland); Feigin, L. A.; Kovalchuk, M. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2013-11-15

    The structure of porphyrin-fullerene dyad ZnDHD6ee monolayers formed on the surface of aqueous subphase in a Langmuir trough and transferred onto solid substrates has been studied. The data obtained are interpreted using simulation of the structure of isolated molecules and their packing in monolayer and modeling of diffraction patterns from molecular aggregates having different sizes and degrees of order. Experiments on the formation of condensed ZnDHD6ee monolayers are described. The structure of these monolayers on a water surface is analyzed using {pi}-A isotherms. The structure of the monolayers transferred onto solid substrates is investigated by electron diffraction and atomic force microscopy. The unit-cell parameters of two-dimensional domains, which are characteristic of molecular packing in monolayers and deposited films, are determined. Domains are found to be organized into a texture (the molecular axes are oriented by the [001] direction perpendicular to the substrate). The monolayers contain a limited number of small 3D domains.

  5. Unifying treatment of nonequilibrium and unstable dynamics of cold bosonic atom system with time-dependent order parameter in Thermo Field Dynamics

    International Nuclear Information System (INIS)

    Nakamura, Y.; Yamanaka, Y.

    2011-01-01

    Research highlights: → Cold atoms with time-dependent condensate in nonequilibrium Thermo Field Dynamics. → Coupled equations which describe the temporal evolution of the system are derived. → They are not the naive assemblages of presumable equations, but the self-consistently ones. → Valid even for systems with Landau or dynamical instability, and describing decays. → Transport equation has new collision term that is important in Landau instability. - Abstract: The coupled equations which describe the temporal evolution of the Bose-Einstein condensed system are derived in the framework of nonequilibrium Thermo Field Dynamics. The key element is that they are not the naive assemblages of assumed equations, but are the self-consistent ones derived by appropriate renormalization conditions. While the order parameter is time-dependent, an explicit quasiparticle picture is constructed by a time-dependent expansion. Our formulation is valid even for the system with a unstable condensate, and describes the condensate decay caused by the Landau instability as well as by the dynamical one.

  6. Importance of length and sequence order on magnesium binding to surface-bound oligonucleotides studied by second harmonic generation and atomic force microscopy.

    Science.gov (United States)

    Holland, Joseph G; Geiger, Franz M

    2012-06-07

    The binding of magnesium ions to surface-bound single-stranded oligonucleotides was studied under aqueous conditions using second harmonic generation (SHG) and atomic force microscopy (AFM). The effect of strand length on the number of Mg(II) ions bound and their free binding energy was examined for 5-, 10-, 15-, and 20-mers of adenine and guanine at pH 7, 298 K, and 10 mM NaCl. The binding free energies for adenine and guanine sequences were calculated to be -32.1(4) and -35.6(2) kJ/mol, respectively, and invariant with strand length. Furthermore, the ion density for adenine oligonucleotides did not change as strand length increased, with an average value of 2(1) ions/strand. In sharp contrast, guanine oligonucleotides displayed a linear relationship between strand length and ion density, suggesting that cooperativity is important. This data gives predictive capabilities for mixed strands of various lengths, which we exploit for 20-mers of adenines and guanines. In addition, the role sequence order plays in strands of hetero-oligonucleotides was examined for 5'-A(10)G(10)-3', 5'-(AG)(10)-3', and 5'-G(10)A(10)-3' (here the -3' end is chemically modified to bind to the surface). Although the free energy of binding is the same for these three strands (averaged to be -33.3(4) kJ/mol), the total ion density increases when several guanine residues are close to the 3' end (and thus close to the solid support substrate). To further understand these results, we analyzed the height profiles of the functionalized surfaces with tapping-mode atomic force microscopy (AFM). When comparing the average surface height profiles of the oligonucleotide surfaces pre- and post- Mg(II) binding, a positive correlation was found between ion density and the subsequent height decrease following Mg(II) binding, which we attribute to reductions in Coulomb repulsion and strand collapse once a critical number of Mg(II) ions are bound to the strand.

  7. Modeling of UV laser-induced patterning of ultrathin Co films on bulk SiO2: verification of short- and long-range ordering mechanisms

    Science.gov (United States)

    Trice, Justin; Favazza, Christopher; Kalyanaraman, Ramki; Sureshkumar, R.

    2006-03-01

    Irradiating ultrathin Co films (1 to 10 nm) by a short-pulsed UV laser leads to pattern formation with both short- and long-range order (SRO, LRO). Single beam irradiation produces SRO, while two-beam interference irradiation produces a quasi-2D arrangement of nanoparticles with LRO and SRO. The pattern formation primarily occurs in the molten phase. An estimate of the thermal behavior of the film/substrate composite following a laser pulse is presented. The thermal behavior includes the lifetime of the liquid phase and the thermal gradient during interference heating. Based on this evidence, the SRO is attributed to spinodal dewetting of the film while surface tension gradients induced by the laser interference pattern appear to influence LRO [1]. [1] C.Favazza, J.Trice, H.Krishna, R.Sureshkumar, and R.Kalyanaraman, unpublished.

  8. A 1-V 60-μW 85-dB dynamic range continuous-time third-order sigma-delta modulator

    International Nuclear Information System (INIS)

    Li Yuanwen; Qi Da; Dong Yifeng; Xu Jun; Ren Junyan

    2009-01-01

    A 1-V third order one-bit continuous-time (CT) EA modulator is presented. Designed in the SMIC mixed-signal 0.13-μm CMOS process, the modulator utilizes active RC integrators to implement the loop filter. An efficient circuit design methodology for the CT ΣΔ modulator is proposed and verified. Low power dissipation is achieved through the use of two-stage class A/AB amplifiers. The presented modulator achieves 81.4-dB SNDR and 85-dB dynamic range in a 20-kHz bandwidth with an over sampling ratio of 128. The total power consumption of the modulator is only 60 μW from a 1-V power supply and the prototype occupies an active area of 0.12 mm 2 . (semiconductor integrated circuits)

  9. Applications of the KKR-DCA: A Finite-Temperature Density Functional Theory to Predict Chemical Short-Range Order Effects in Disordered Metallic Alloys

    Science.gov (United States)

    Biava, D. A.; Johnson, D. D.

    2009-03-01

    Short-range order (SRO) is ubiquitous in metallic alloys, affecting changes in their electronic, thermodynamic, mechanical, magnetic, and structural properties. For example, SRO is responsible for the yield-strength anomalies observed in Cu-Al at high temperatures, i.e., the materials is more resistant to dislocation motion at high temperature than it is at room temperature. Within the Korringa-Kohn-Rostorker (KKR) electronic-structure method, we present results using the dynamical cluster approximations (DCA) to obtain the temperature-dependent SRO in disordered alloys. We obtain the KKR-DCA SRO energetics versus local neighbor SRO parameters and minimize it at fixed temperature to predict the SRO. We show that the calculated SRO at fixed temperature compares well with available experimental results, and then correlate the results to the electronic structure. We discuss how an accurate analytic estimate can be made for the SRO in most metals due to the dependence of the grand potential on SRO.

  10. Bremsstrahlung in atom-atom collisions

    International Nuclear Information System (INIS)

    Amus'ya, M.Y.; Kuchiev, M.Y.; Solov'ev, A.V.

    1985-01-01

    It is shown that in the collision of a fast atom with a target atom when the frequencies are on the order of the potentials or higher, there arises bremsstrahlung comparable in intensity with the bremsstrahlung emitted by an electron with the same velocity in the field of the target atom. The mechanism by which bremsstrahlung is produced in atom-atom collisions is elucidated. Results of specific calculations of the bremsstrahlung spectra are given for α particles and helium atoms colliding with xenon

  11. Co-existence of long-range order and spin fluctuation in a new geometric frustration series M2(OH)3Cl

    International Nuclear Information System (INIS)

    Zheng, X.G.; Hagihala, Masato; Toriyi, Takato

    2007-01-01

    Recently, we observed the co-existence of a long-range magnetic order and spin fluctuation in a clean compound of clinoatacamite, Cu 2 (OH) 3 Cl (PRL95 (2005) 057201). The present work reports magnetic studies on other compounds of this transition metal series M 2 (OH) 3 Cl, where M represents three-dimensional (3D)-electron magnetic ions of Co 2+ , Fe 2+ , etc., respectively. The present study shows that this co-existence is a common feature of the M 2 Cl(OH) 3 series, no matter whether it is anti-ferromagnetic, as in the case of Fe 2 (OH) 3 Cl (T N =15 K), or ferromagnetic, as in the case of Co 2 (OH) 3 Cl (T C =10.5 K). These compounds show a 3D network of corner-sharing tetrahedrons for the magnetic ions. The tetrahedron is slightly tilted with roughly 10% longer distance between the M-M bonded by Cl than those bonded by O and this distortion is suspected to be responsible for the partial order. This research suggests that the transition metal hydroxyhalide M 2 Cl(OH) 3 series are new geometric frustration system on tetrahedral lattice for d-electron spins

  12. High-order nonlinear optical processes in ablated carbon-containing materials: Recent approaches in development of the nonlinear spectroscopy using harmonic generation in the extreme ultraviolet range

    Science.gov (United States)

    Ganeev, R. A.

    2017-08-01

    The nonlinear spectroscopy using harmonic generation in the extreme ultraviolet range became a versatile tool for the analysis of the optical, structural and morphological properties of matter. The carbon-contained materials have shown the advanced properties among other studied species, which allowed both the definition of the role of structural properties on the nonlinear optical response and the analysis of the fundamental features of carbon as the attractive material for generation of coherent short-wavelength radiation. We review the studies of the high-order harmonic generation by focusing ultrashort pulses into the plasmas produced during laser ablation of various organic compounds. We discuss the role of ionic transitions of ablated carbon-containing molecules on the harmonic yield. We also show the similarities and distinctions of the harmonic and plasma spectra of organic compounds and graphite. We discuss the studies of the generation of harmonics up to the 27th order (λ = 29.9 nm) of 806 nm radiation in the boron carbide plasma and analyze the advantages and disadvantages of this target compared with the ingredients comprising B4C (solid boron and graphite) by comparing plasma emission and harmonic spectra from three species. We also show that the coincidence of harmonic and plasma emission wavelengths in most cases does not cause the enhancement or decrease of the conversion efficiency of this harmonic.

  13. Nanoporous anodic aluminum oxide with a long-range order and tunable cell sizes by phosphoric acid anodization on pre-patterned substrates

    Science.gov (United States)

    Surawathanawises, Krissada; Cheng, Xuanhong

    2014-01-01

    Nanoporous anodic aluminum oxide (AAO) has been explored for various applications due to its regular cell arrangement and relatively easy fabrication processes. However, conventional two-step anodization based on self-organization only allows the fabrication of a few discrete cell sizes and formation of small domains of hexagonally packed pores. Recent efforts to pre-pattern aluminum followed with anodization significantly improve the regularity and available pore geometries in AAO, while systematic study of the anodization condition, especially the impact of acid composition on pore formation guided by nanoindentation is still lacking. In this work, we pre-patterned aluminium thin films using ordered monolayers of silica beads and formed porous AAO in a single-step anodization in phosphoric acid. Controllable cell sizes ranging from 280 nm to 760 nm were obtained, matching the diameters of the silica nanobead molds used. This range of cell size is significantly greater than what has been reported for AAO formed in phosphoric acid in the literature. In addition, the relationships between the acid concentration, cell size, pore size, anodization voltage and film growth rate were studied quantitatively. The results are consistent with the theory of oxide formation through an electrochemical reaction. Not only does this study provide useful operational conditions of nanoindentation induced anodization in phosphoric acid, it also generates significant information for fundamental understanding of AAO formation. PMID:24535886

  14. Formation of cold molecules through the photo-association of cold atoms of Cesium. Existence of long range forces between between cold excited atoms of Cesium; Formation de molecules froides par photoassociation d'atomes froids de cesium. Mise en evidence de forces a longue portee entre atomes froids excites de cesium

    Energy Technology Data Exchange (ETDEWEB)

    Comparat, D

    1999-09-01

    This thesis deals with the experimental study and the theoretical interpretation of the processes involved in photo-association and the formation of cold caesium molecules. It also presents a study of the dipolar forces between a pair of cold excited caesium atoms. We present here the first photo-association experiment on cold caesium atoms: two cold atoms absorb a photon to form an excited electronically excited molecules in a rotation-vibration level. The first production of cold molecules which was realised experimentally, after the spontaneous deexcitation of the photo-associated molecules, is described, stressing the role of the potential well of the molecular states O{sub g}{sup -}(6s+6p{sub 3/2}) or 1{sub u} (6s+6p{sub 3/2}) of caesium. The detection of the formed caesium molecules is based on a two-photons resonant ionisation that creates Cs{sub 2}{sup +} ions, afterwards selectively detected. Temperatures around 20-200 {mu}K have been measured. The photo-associative spectroscopy is described on the theoretical point of view: a detailed theoretical study allows to calculate precisely the asymptotic parts of the potential curves. On the experimental point of view, we present the spectroscopy of the extern potential well of the caesium state O{sub g}{sup -}(6s+6p{sub 3/2}) and the construction of an effective potential curve of the RKR type. A unified theory of photo-association in weak field, considered as a collision assisted by laser, is developed. The cold atoms experiments allow to study and control the collision between two atoms whose mutual interaction is of the dipole-dipole type. Two different physical systems are studied: a sample of Rydberg atoms, and the photo-association process which is a laser-assisted collision. A modification of the motion of one pair of atoms makes it possible to control the bipolar forces and to choose the atoms relative speeds. (author)

  15. Evidence of icosahedral short-range order in Zr70Cu30 and Zr70Cu29Pd1 metallic glasses

    DEFF Research Database (Denmark)

    Saksl, K.; Franz, H.; Jovari, P.

    2003-01-01

    Change in local atomic environment during crystallization of Zr-based glassy alloys was studied by extended x-ray absorption fine structure (EXAFS) spectroscopy. The formation of icosahedral quasicrystalline phase followed by crystallization of tetragonal CuZr2 has been observed in the Zr70Cu29Pd1...... glassy alloy during annealing up to 850 K. On the other hand, the binary Zr70Cu30 alloy shows a single glassy to crystalline CuZr2 phase transformation. The local atomic environment of as-quenched Zr70Cu30 alloy is matched to an icosahedral local atomic configuration, which is similar to that of the as......-quenched Zr70Cu29Pd1 alloy and the alloy annealed at 593 K containing icosahedral phase. Considering that the supercooled liquid region appears prior to crystallization in the Zr70Cu30 glassy alloy, the observed results support the theory claiming a strong correlation between the existence of local...

  16. Three-atom clusters

    International Nuclear Information System (INIS)

    Pen'kov, F.M.

    1998-01-01

    The Born-Oppenheimer approximation is used to obtain an equation for the effective interaction in three atoms bound by a single electron. For low binding energies in an 'electron + atom' pair, long-range forces arise between the atoms, leading to bound states when the size of the three-atom cluster is a few tens of angstrom. A system made of alkali-metal atoms is considered as an example

  17. Structure of short-range-ordered iron(III)-precipitates formed by iron(II) oxidation in water containing phosphate, silicate, and calcium

    Science.gov (United States)

    Voegelin, A.; Frommer, J.; Vantelon, D.; Kaegi, R.; Hug, S. J.

    2009-04-01

    The oxidation of Fe(II) in water leads to the formation of Fe(III)-precipitates that strongly affect the fate of nutrients and contaminants in natural and engineered systems. Examples include the cycling of As in rice fields irrigated with As-rich groundwater or the treatment of drinking water for As removal. Knowledge of the types of Fe(III)-precipitates forming in such systems is essential for the quantitative modeling of nutrient and contaminant dynamics and for the optimization of water purification techniques on the basis of a mechanistic understanding of the relevant biogeochemical processes. In this study, we investigated the local coordination of Fe, P, and Ca in Fe(III)-precipitates formed by aeration of synthetic Fe(II)-containing groundwater with variable composition (pH 7, 2-30 mg/L Fe(II), 2-20 mg/L phosphate-P, 2-20 mg/L silicate-Si, 8 mM Na-bicarbonate or 2.5 mM Ca-&1.5 mM Mg-bicarbonate). After 4 hours of oxidation, Fe(III)-precipitates were collected on 0.2 µm nylon filters and dried. The precipitates were analyzed by Fe K-edge EXAFS (XAS beamline, ANKA, Germany) and by P and Ca K-edge XANES spectroscopy (LUCIA beamline, SLS, Switzerland). The Fe K-edge EXAFS spectra indicated that local Fe coordination in the precipitates systematically shifted with water composition. As long as water contained P, mainly short-range-ordered Fe(III)-phosphate formed (with molar P/Fe ~0.5). In the absence of P, Fe(III) precipitated as hydrous ferric oxide at high Si/Fe>0.5, as ferrihydrite at intermediate Si/Fe, and mainly as lepidocrocite at Si/Fe<0.2. Analysis of the EXAFS by shell-fitting indicated that Fe(III)-phosphates mainly contained mono- or oligomeric (edge- or corner-sharing) Fe and that the linkage between neighboring Fe(III)-octahedra changed from predominantly edge-sharing in Si-rich hydrous ferric oxide to edge- and corner-sharing in ferrihydrite. Electron microscopic data showed that changes in local precipitate structure were systematically

  18. Influence of the number of atomic levels on the spectral opacity of low temperature nickel and iron in the spectral range 50-300 eV

    International Nuclear Information System (INIS)

    Busquet, M.; Klapisch, M.; Gilles, D.

    2013-01-01

    Opacity is a fundamental ingredient for the secular evolution of stars. The calculation of the stellar plasma absorption coefficients is complex due to the composition of these plasmas, generally an H /He dominated mixture with a low concentration of partially ionized heavy ions (the iron group). The international collaboration OPAC recently presented extensive comparisons of spectral opacities of iron and nickel for temperatures between 15 and 40 eV and for densities of ∼ 3 mg/cm 3 , relevant to the stellar envelope conditions [1, 2]. The role of Configuration Interaction (CI) and the influence of the number of atomic levels on the opacity using the recently improved version of HULLAC atomic code [3, 4] are illustrated in this article. Comparisons with theoretical predictions already presented in [1] are discussed. (authors)

  19. Atomic fountain and applications

    International Nuclear Information System (INIS)

    Rawat, H.S.

    2000-01-01

    An overview of the development of working of MOT along with the basic principle of laser atom cooling and trapping is given. A technique to separate the cooled and trapped atoms from the MOT using atomic fountain technique will also be covered. The widely used technique for atomic fountain is, first to cool and trap the neutral atoms in MOT and then launch them in the vertical direction, using moving molasses technique. Using 133 Cs atomic fountain clock, time improvement of 2 to 3 order of magnitude over a conventional 133 Cs atomic clock has been observed

  20. Effective atomic numbers for photon energy absorption of essential amino acids in the energy range 1 keV to 20 MeV

    International Nuclear Information System (INIS)

    Manohara, S.R.; Hanagodimath, S.M.

    2007-01-01

    Effective atomic numbers for photon energy-absorption (Z PEAeff ) of essential amino acids histidine, leucine, lysine, methionine, phenylalanine, threonine, tryptophan and valine have been calculated by a direct method in the energy region of 1 keV to 20 MeV. The Z PEAeff values have been found to change with energy and composition of the amino acids. The variations of mass energy-absorption coefficient, effective atomic number for photon interaction (Z PIeff ) and Z PEAeff with energy are shown graphically. Significant differences exist between Z PIeff and the Z PEAeff in the energy region of 8-100 keV for histidine and threonine; 6-100 keV for leucine, lysine, tryptophan, phenylalanine and valine; 15-400 keV for methionine. The effect of absorption edge on effective atomic numbers and the possibility of defining two set values of these parameters at the K-absorption edge of high-Z element present in the amino acids are discussed. The reasons for using Z PEAeff rather than the commonly used Z PIeff in medical radiation dosimetry for the calculation of absorbed dose in radiation therapy are also discussed

  1. Studies on effective atomic numbers and electron densities in amino acids and sugars in the energy range 30-1333 keV

    International Nuclear Information System (INIS)

    Gowda, Shivalinge; Krishnaveni, S.; Gowda, Ramakrishna

    2005-01-01

    The effective atomic numbers and electron densities of the amino acids glycine, alanine, serine, valine, threonine, leucine, isoleucine, aspartic acid, lysine, glutamic acid, histidine, phenylalanine, arginine, tyrosine, tryptophane and the sugars arabinose, ribose, glucose, galactose, mannose, fructose, rhamnose, maltose, melibiose, melezitose and raffinose at the energies 30.8, 35.0, 81.0, 145, 276.4, 302.9, 356, 383.9, 661.6, 1173 and 1332.5 keV were calculated by using the measured total attenuation cross-sections. The interpolations of total attenuation cross-sections for photons of energy E in elements of atomic number Z was performed using the logarithmic regression analysis of the XCOM data in the photon energy region 30-1500 keV. The best-fit coefficients obtained by a piece wise interpolation method were used to find the effective atomic number and electron density of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data

  2. Studies on effective atomic numbers and electron densities in amino acids and sugars in the energy range 30-1333 keV

    Energy Technology Data Exchange (ETDEWEB)

    Gowda, Shivalinge [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India); Krishnaveni, S. [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India); Gowda, Ramakrishna [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India)]. E-mail: ramakrishnagowda@yahoo.com

    2005-10-15

    The effective atomic numbers and electron densities of the amino acids glycine, alanine, serine, valine, threonine, leucine, isoleucine, aspartic acid, lysine, glutamic acid, histidine, phenylalanine, arginine, tyrosine, tryptophane and the sugars arabinose, ribose, glucose, galactose, mannose, fructose, rhamnose, maltose, melibiose, melezitose and raffinose at the energies 30.8, 35.0, 81.0, 145, 276.4, 302.9, 356, 383.9, 661.6, 1173 and 1332.5 keV were calculated by using the measured total attenuation cross-sections. The interpolations of total attenuation cross-sections for photons of energy E in elements of atomic number Z was performed using the logarithmic regression analysis of the XCOM data in the photon energy region 30-1500 keV. The best-fit coefficients obtained by a piece wise interpolation method were used to find the effective atomic number and electron density of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.

  3. Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator

    Energy Technology Data Exchange (ETDEWEB)

    Lefrancois, Daniel; Dreuw, Andreas, E-mail: dreuw@uni-heidelberg.de [Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205, 69120 Heidelberg (Germany); Rehn, Dirk R. [Departments of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping (Sweden)

    2016-08-28

    For the calculation of adiabatic singlet-triplet gaps (STG) in diradicaloid systems the spin-flip (SF) variant of the algebraic diagrammatic construction (ADC) scheme for the polarization propagator in third order perturbation theory (SF-ADC(3)) has been applied. Due to the methodology of the SF approach the singlet and triplet states are treated on an equal footing since they are part of the same determinant subspace. This leads to a systematically more accurate description of, e.g., diradicaloid systems than with the corresponding non-SF single-reference methods. Furthermore, using analytical excited state gradients at ADC(3) level, geometry optimizations of the singlet and triplet states were performed leading to a fully consistent description of the systems, leading to only small errors in the calculated STGs ranging between 0.6 and 2.4 kcal/mol with respect to experimental references.

  4. Range and limits of application of Sec.12, Atomic Energy Act, as a legal basis of the nuclear plant safety ordinance

    International Nuclear Information System (INIS)

    Schmidt-Preuss, Matthias

    2009-01-01

    Ensuring plant safety is a key purpose of nuclear law. Sec.7 II No.3, Atomic Energy Act, is considered the basic norm of nuclear legislation. The main requirement this embodies is ensuring 'the provisions against damage arising from construction and operation of a plant as required in accordance with the state of the art'. These normative requirements constitute the strictest yardstick existing in legislation about technology. Putting it into effect has always been the purpose of the set of nuclear rules and regulations constituting the next lower level of legislation, which so far have developed by evolution and are now to be updated comprehensively in the format of so-called modules as provided for in the concept of the Federal Ministry for the Environment, Nature Conservation, and Nuclear Safety (BMU). So far, there has not been a nuclear plant safety ordinance. The Atomic Energy Act has always provided a basis for adopting such an ordinance, especially so in Sec.12 I 1 No.1, Atomic Energy Act. No federal government has so far wanted to make use of it. This makes it all the more remarkable that the BMU took up the subject of a nuclear plant safety ordinance as early as in 2006, starting a dialog with the federal states. This dialog meanwhile has come to a halt. The subject seems to be dormant right now, but certainly has not been shelved. Ensuring plant safety is a key purpose of nuclear law. Sec.7 II No.3, Atomic Energy Act, is considered the basic norm of nuclear legislation. The main requirement this embodies is ensuring 'the provisions against damage arising from construction and operation of a plant as required in accordance with the state of the art'. These normative requirements constitute the strictest yardstick existing in legislation about technology. Putting it into effect has always been the purpose of the set of nuclear rules and regulations constituting the next lower level of legislation, which so far have developed by evolution and are now to be

  5. Long-range ferromagnetic order induced by a donor impurity band exchange in SnO{sub 2}:Er{sup 3+} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Aragón, F. H.; Coaquira, J. A. H. [Núcleo de Física Aplicada, Institute of Physics, University of Brasília, Brasília DF 70910-900 (Brazil); Chitta, V. A. [Instituto de Física, Universidade de São Paulo, São Paulo, SP 05508-000 (Brazil); Hidalgo, P. [Faculdade Gama-FGA, Sector Central Gama, Universidade de Brasília, Brasília, DF72405-610 (Brazil); Brito, H. F. [Instituto de Química, Universidade de São Paulo, São Paulo, SP 05508-000 (Brazil)

    2013-11-28

    In this work, the structural and magnetic properties of Er-doped SnO{sub 2} (SnO{sub 2}:Er) nanoparticles are reported. The SnO{sub 2}:Er nanoparticles have been synthesized by a polymer precursor method with Er content from 1.0% to 10.0%. X-ray diffraction results indicate the formation of only the rutile-type structure in all samples. The estimated mean crystallite size shows a decrease from ∼10 to ∼4 nm when the Er content is increased from 1.0% to 10.0%. The particle size values have been corroborated by transmission electron microscopy technique. The thermal dependence of the magnetization is consistent with the 3+ oxidation state of erbium ions for all samples. A strong paramagnetic-like behavior coexisting with a ferromagnetic phase has been determined for samples with Er content below 5.0%. Above this concentration, only a paramagnetic behavior has been determined. Isothermal magnetization curves are consistent with the occurrence of long-range ferromagnetic order mediated by donor electrons forming bound magnetic polarons which overlap to produce a spin-split impurity band.

  6. Ab initio molecular dynamics model for density, elastic properties and short range order of Co-Fe-Ta-B metallic glass thin films

    International Nuclear Information System (INIS)

    Hostert, C; Music, D; Schneider, J M; Bednarcik, J; Keckes, J; Kapaklis, V; Hjörvarsson, B

    2011-01-01

    Density, elastic modulus and the pair distribution function of Co-Fe-Ta-B metallic glasses were obtained by ab initio molecular dynamics simulations and measured for sputtered thin films using x-ray reflectivity, nanoindentation and x-ray diffraction using high energy photons. The computationally obtained density of 8.19 g cm -3 for Co 43 Fe 20 Ta 5.5 B 31.5 and 8.42 g cm -3 for Co 45.5 Fe 24 Ta 6 B 24.5 , as well as the Young’s moduli of 273 and 251 GPa, respectively, are consistent with our experiments and literature data. These data, together with the good agreement between the theoretical and the experimental pair distribution functions, indicate that the model established here is useful to describe the density, elasticity and short range order of Co-Fe-Ta-B metallic glass thin films. Irrespective of the investigated variation in chemical composition, (Co, Fe)-B cluster formation and Co-Fe interactions are identified by density-of-states analysis. Strong bonds within the structural units and between the metallic species may give rise to the comparatively large stiffness. (paper)

  7. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

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

  8. Atomic secrecy

    International Nuclear Information System (INIS)

    Sweet, W.

    1979-01-01

    An article, The H-Bomb Secret: How We Got It, Why We're Telling It, by Howard Morland was to be published in The Progressive magazine in February, 1979. The government, after learning of the author's and the editors' intention to publish the article and failing to persuade them to voluntarily delete about 20% of the text and all of the diagrams showing how an H-bomb works, requested a court injunction against publication. Acting under the Atomic Energy Act of 1954, US District Court Judge Robert W. Warren granted the government's request on March 26. Events dealing with the case are discussed in this publication. Section 1, Progressive Hydrogen Bomb Case, is discussed under the following: Court Order Blocking Magazine Report; Origins of the Howard Morland Article; Author's Motives, Defense of Publication; and Government Arguments Against Disclosure. Section 2, Access to Atomic Data Since 1939, contains information on need for secrecy during World War II; 1946 Atomic Energy Act and its effects; Soviet A-Bomb and the US H-Bomb; and consequences of 1954 Atomic Energy Act. Section 3, Disputed Need for Atomic Secrecy, contains papers entitled: Lack of Studies on H-Bomb Proliferation; Administration's Position on H-Bombs; and National Security Needs vs Free Press

  9. Competence of the Higher Administrative Court over an administrative lawsuit concerning orders issued by the supervisory authority instituted under atomic energy law. Hess. VGH, decision of December 22, 1993 - 14 Q 2724/93

    International Nuclear Information System (INIS)

    Doering, H.

    1994-01-01

    The competence of the state over the storage of nuclear fuel, exercised by the Federal Radiation Protection Office, is not limited to the storage alone but extends to the acceptance and delivery of the material including all transport operations involved. Interactions between the operation of a fuel element plant and external processes can lead to the issue of orders under Article 19 Section 3 of the Atomic Energy Law, provided such interactions fall within the jurisdiction in rem of the supervisory authority instituted under atomic energy law. (orig./HSCH) [de

  10. Direct observation for atomically flat and ordered vertical {111} side-surfaces on three-dimensionally figured Si(110) substrate using scanning tunneling microscopy

    Science.gov (United States)

    Yang, Haoyu; Hattori, Azusa N.; Ohata, Akinori; Takemoto, Shohei; Hattori, Ken; Daimon, Hiroshi; Tanaka, Hidekazu

    2017-11-01

    A three-dimensional Si{111} vertical side-surface structure on a Si(110) wafer was fabricated by reactive ion etching (RIE) followed by wet-etching and flash-annealing treatments. The side-surface was studied with scanning tunneling microscopy (STM) in atomic scale for the first time, in addition to atomic force microscopy (AFM), scanning electron microscopy (SEM), and low-energy electron diffraction (LEED). AFM and SEM showed flat and smooth vertical side-surfaces without scallops, and STM proved the realization of an atomically-flat 7 × 7-reconstructed structure, under optimized RIE and wet-etching conditions. STM also showed that a step-bunching occurred on the produced {111} side-surface corresponding to a reversely taped side-surface with a tilt angle of a few degrees, but did not show disordered structures. Characteristic LEED patterns from both side- and top-reconstructed surfaces were also demonstrated.

  11. Laser-assisted atom-atom collisions

    International Nuclear Information System (INIS)

    Roussel, F.

    1984-01-01

    The basic layer-assisted atom-atom collision processes are reviewed in order to get a simpler picture of the main physical facts. The processes can be separated into two groups: optical collisions where only one atom is changing state during the collision, the other acting as a spectator atom, and radiative collisions where the states of the two atoms are changing during the collision. All the processes can be interpreted in terms of photoexcitation of the quasimolecule formed during the collisional process. (author)

  12. On the scope of the Federal Government to issue orders in plan approval procedures under para. 9b of the Atomic Energy Act as provided by article 85 section 3 of the Basic Law

    International Nuclear Information System (INIS)

    Ossenbuehl, F.

    1991-01-01

    Under Paragraph 9b of the Atomic Energy Act the Lower Saxonian Minister of the Environment has the competence for the plan approval procedure concerning the final disposal site Konrad. The plan approval procedure under atomic energy law is a unitary administrative procedure which makes further administrative procedures and administrative decisions superfluous on the strength of its unitary character and without impingement on constitutional law. In conducting the plan approval procedure the Lower Saxonican Minister of the Environment is acting within the framework of Laender administration on behalf of the Federation. To this extent he is subject to the orders of the Federal Minister of the Enviroment under Article 85 Section 3 of The Basic Law with respect to the formation of the procedure and procedural decisions as well as decisions on the merits pending. The concentrating effect of the plan approval procedure under atomic energy law also extends to permits under water law. (orig./HSCH) [de

  13. Studies on effective atomic numbers for photon energy absorption and electron density of some narcotic drugs in the energy range 1 keV-20 MeV

    Science.gov (United States)

    Gounhalli, Shivraj G.; Shantappa, Anil; Hanagodimath, S. M.

    2013-04-01

    Effective atomic numbers for photon energy absorption ZPEA,eff, photon interaction ZPI,eff and for electron density Nel, have been calculated by a direct method in the photon-energy region from 1 keV to 20 MeV for narcotic drugs, such as Heroin (H), Cocaine (CO), Caffeine (CA), Tetrahydrocannabinol (THC), Cannabinol (CBD), Tetrahydrocannabivarin (THCV). The ZPEA,eff, ZPI,eff and Nel values have been found to change with energy and composition of the narcotic drugs. The energy dependence ZPEA,eff, ZPI,eff and Nel is shown graphically. The maximum difference between the values of ZPEA,eff, and ZPI,eff occurs at 30 keV and the significant difference of 2 to 33% for the energy region 5-100 keV for all drugs. The reason for these differences is discussed.

  14. Atomic scale studies of La/Sr ordering in La2-2xSr1+2xMn2O7 single crystals

    KAUST Repository

    Roldan, Manuel; Oxley, Mark; Li, Qiang; Gray, Kenneth; Mitchell, John; Pennycook, Stephen; Varela, Maria

    2016-01-01

    quality. No secondary phases or defects are observed. Figure 1 displays an atomic resolution image obtained with the c-axis perpendicular to the electron beam of a x=0.50 sample. The perovskite (P)-like planes and the rock salt (R)-like planes are clearly

  15. Electron-Impact Ionization Cross Sections of H, He, N, O, Ar, Xe, Au, Pb Atoms and Their Ions in the Electron Energy Range from the Threshold up to 200 keV

    CERN Document Server

    Povyshev, V M; Shevelko, V P; Shirkov, G D; Vasina, E G; Vatulin, V V

    2001-01-01

    Single electron-impact ionization cross sections of H, He, N, O, Ar, Xe, Au, Pb atoms and their positive ions (i.e. all ionization stages) are presented in the electron energy range from the threshold up to 200 keV. The data-set for the cross sections has been created on the basis of available experimental data and calculations performed by the computer code ATOM. Consistent data for the ionization cross sections have been fitted by seven parameters using the LSM method. The accuracy of the calculated data presented is within a factor of 2 that in many cases is sufficient to solve the plasma kinetics problems. Contributions from excitation-autoionization and resonant-ionization processes as well as ionization of atoms and ions are not considered here. The results of the numerical calculations are compared with the well-known Lotz formulae for ionization of neutral atoms and positive ions. The material is illustrated by figures and includes tables of ionization cross sections, binding energies and fitting para...

  16. Role of Short-Range Chemical Ordering in (GaN) 1–x (ZnO) x for Photodriven Oxygen Evolution

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Dennis P. [Department; Neuefeind, Joerg C. [Chemical; Koczkur, Kallum M. [Department; Bish, David L. [Department; Skrabalak, Sara E. [Department

    2017-07-21

    (GaN)1–x(ZnO)x (GZNO) is capable of visible-light driven water splitting, but its bandgap at x ≤ 0.15 (>2.7 eV) results in poor visible-light absorption. Unfortunately, methods to narrow its bandgap by incorporating higher ZnO concentrations are accompanied by extensive Urbach tailing near the absorption-edge, which is indicative of structural disorder or chemical inhomogeneities. We evaluated whether this disorder is intrinsic to the bond-length distribution in GZNO or is a result of defects introduced from the loss of Zn during nitridation. Here, the synthesis of GZNO derived from layered double hydroxide (LDH) precursors is described which minimizes Zn loss and chemical inhomogeneities and enhances visible-light absorption. The average and local atomic structures of LDH-derived GZNO were investigated using X-ray and neutron scattering and are correlated with their oxygen evolution rates. An isotope-contrasted neutron-scattering experiment was conducted in conjunction with reverse Monte Carlo (RMC) simulations. We showed that a bond-valence bias in the RMC refinements reproduces the short-range ordering (SRO) observed in structure refinements using isotope-contrasted neutron data. The findings suggest that positional disorder of cation–anion pairs in GZNO partially arises from SRO and influences local bond relaxations. Furthermore, particle-based oxygen evolution reactions (OERs) in AgNO3 solution reveal that the crystallite size of GZNO correlates more than positional disorder with oxygen evolution rate. These findings illustrate the importance of examining the local structure of multinary photocatalysts to identify dominant factors in particulate-based photodriven oxygen evolution.

  17. Comparison of soil thickness in a zero-order basin in the Oregon Coast Range using a soil probe and electrical resistivity tomography

    Science.gov (United States)

    Morse, Michael S.; Lu, Ning; Godt, Jonathan W.; Revil, André; Coe, Jeffrey A.

    2012-01-01

    Accurate estimation of the soil thickness distribution in steepland drainage basins is essential for understanding ecosystem and subsurface response to infiltration. One important aspect of this characterization is assessing the heavy and antecedent rainfall conditions that lead to shallow landsliding. In this paper, we investigate the direct current (DC) resistivity method as a tool for quickly estimating soil thickness over a steep (33–40°) zero-order basin in the Oregon Coast Range, a landslide prone region. Point measurements throughout the basin showed bedrock depths between 0.55 and 3.2 m. Resistivity of soil and bedrock samples collected from the site was measured for degrees of saturation between 40 and 92%. Resistivity of the soil was typically higher than that of the bedrock for degrees of saturation lower than 70%. Results from the laboratory measurements and point-depth measurements were used in a numerical model to evaluate the resistivity contrast at the soil-bedrock interface. A decreasing-with-depth resistivity contrast was apparent at the interface in the modeling results. At the field site, three transects were surveyed where coincident ground truth measurements of bedrock depth were available, to test the accuracy of the method. The same decreasing-with-depth resistivity trend that was apparent in the model was also present in the survey data. The resistivity contour of between 1,000 and 2,000 Ωm that marked the top of the contrast was our interpreted bedrock depth in the survey data. Kriged depth-to-bedrock maps were created from both the field-measured ground truth obtained with a soil probe and interpreted depths from the resistivity tomography, and these were compared for accuracy graphically. Depths were interpolated as far as 16.5 m laterally from the resistivity survey lines with root mean squared error (RMSE) = 27 cm between the measured and interpreted depth at those locations. Using several transects and analysis of the subsurface

  18. Progress in atomic spectroscopy

    International Nuclear Information System (INIS)

    Beyer, H.J.; Kleinpoppen, H.

    1984-01-01

    This book presents reviews by leading experts in the field covering areas of research at the forefront of atomic spectroscopy. Topics considered include the k ordering of atomic structure, multiconfiguration Hartree-Fock calculations for complex atoms, new methods in high-resolution laser spectroscopy, resonance ionization spectroscopy (inert atom detection), trapped ion spectroscopy, high-magnetic-field atomic physics, the effects of magnetic and electric fields on highly excited atoms, x rays from superheavy collision systems, recoil ion spectroscopy with heavy ions, investigations of superheavy quasi-atoms via spectroscopy of electron rays and positrons, impact ionization by fast projectiles, and amplitudes and state parameters from ion- and atom-atom excitation processes

  19. An experimental study of charge exchange process in the energy range 1-30 keV during the passage of alkali metal ions and atoms through cesium and potassium vapour

    International Nuclear Information System (INIS)

    Wittchow, F.

    1979-01-01

    An experimental study is presented of the charge exchange processes in the energy range of about 1-30 keV during the passage of positive alkali ions and alkali atoms through potassium and cesium vapour. The experimental set-up designed for this experiment includes a thermionic source for positive alkali ions with an acceleration stage, a first charge exchange cell to produce fast alkali atoms, a second charge exchange cell with a surface ionisation detector to determine the alkali metal vapor target thickness and a detection system with electrostatic bending of the charged secondary species. The maximum negative ion yield has been determined for the collision systems Li + + K, Na + + K, K + + K, and Rb + + K, and for another eleven systems the charge transfer cross-sections have been measured too. (orig./GG) [de

  20. An analytical expression for electron elastic scattering cross section from atoms and molecules in 1.0 keV to 1.0 MeV energy range

    Energy Technology Data Exchange (ETDEWEB)

    Yalcin, S. [Education Faculty, Kastamonu University, 37200 Kastamonu (Turkey)]. E-mail: yalcin@gazi.edu.tr; Gurler, O. [Physics Department, Faculty of Arts and Sciences, Uludag University, Gorukle Campus, 16059 Bursa (Turkey); Gultekin, A. [Physics Department, Faculty of Arts and Sciences, Uludag University, Gorukle Campus, 16059 Bursa (Turkey); Gundogdu, O. [School of Engineering, University of Surrey, Guildford, GU2 7XH (United Kingdom)]. E-mail: o.gundogdu@surrey.ac.uk

    2006-07-31

    In this Letter, an expression is presented to calculate elastic scattering cross sections for incident electrons as a function of both energy and atomic number in the energy range between 1 keV and 1 MeV for materials with effective atomic number between 3 and 18. The expression we present has a rather simple analytical form which gives accurate results that are in very good agreement with the results calculated by a relativistic partial-wave expansion method. Hence, this equation can be employed accurately and efficiently in a continuous manner, without the need to go through rather large look-up tables, thus making the whole process quick, efficient and removing possible computational errors that may arise from the efforts of interpolation.

  1. An analytical expression for electron elastic scattering cross section from atoms and molecules in 1.0 keV to 1.0 MeV energy range

    International Nuclear Information System (INIS)

    Yalcin, S.; Gurler, O.; Gultekin, A.; Gundogdu, O.

    2006-01-01

    In this Letter, an expression is presented to calculate elastic scattering cross sections for incident electrons as a function of both energy and atomic number in the energy range between 1 keV and 1 MeV for materials with effective atomic number between 3 and 18. The expression we present has a rather simple analytical form which gives accurate results that are in very good agreement with the results calculated by a relativistic partial-wave expansion method. Hence, this equation can be employed accurately and efficiently in a continuous manner, without the need to go through rather large look-up tables, thus making the whole process quick, efficient and removing possible computational errors that may arise from the efforts of interpolation

  2. Long-range displacive to short-range order-disorder crossover in weakly concentrated KTa.sub.y./sub.Nb.sub.1-y./sub.O.sub.3./sub..

    Czech Academy of Sciences Publication Activity Database

    Trepakov, V. A.; Prosandeev, V. A.; Savinov, Maxim; Galinetto, P.; Samoggia, G.; Kapphan, S.; Jastrabík, Lubomír; Boatner, L. A.

    2002-01-01

    Roč. 41, 11B (2002), s. 7176-7178 ISSN 0021-4922 R&D Projects: GA MŠk LN00A015 Institutional research plan: CEZ:AV0Z1010914 Keywords : incipient ferroelectrics * impurity effects * multiscale ordering Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.280, year: 2002

  3. Low-Temperature Synchrotron Photoionization Study of 2-Methyl-3-buten-2-ol (MBO) Oxidation Initiated by O(3P) Atoms in the 298-650 K Range.

    Science.gov (United States)

    Fathi, Yasmin; Price, Chelsea; Meloni, Giovanni

    2017-04-20

    This work studies the oxidation of 2-methyl-3-buten-2-ol initiated by O( 3 P) atoms. The oxidation was investigated at room temperature, 550, and 650 K. Using the synchrotron radiation from the Advanced Light Source (ALS) of the Lawrence Berkley National Laboratory, reaction intermediates and products were studied by multiplexed photoionization mass spectrometry. Mass-to-charge ratios, kinetic time traces, photoionization spectra, and adiabatic ionization energies for each primary reaction species were obtained and used to characterize their identity. Using electronic structure calculations, potential energy surface scans of the different species produced throughout the oxidation were examined and presented in this paper to further validate the primary chemistry occurring. Branching fractions of primary products at all three temperatures were also provided. At room temperature only three primary products formed: ethenol (26.6%), acetaldehyde (4.2%), and acetone (53.4%). At 550 and 650 K the same primary products were observed in addition to propene (5.1%, 11.2%), ethenol (18.1%, 2.8%), acetaldehyde (8.9%, 5.7%), cyclobutene (1.6%, 10.8%), 1-butene (2.0%, 10.9%), trans-2-butene (3.2%, 23.1%), acetone (50.4%, 16.8%), 3-penten-2-one (1.0%, 11.5%), and 3-methyl-2-butenal (0.9%, 2.5%), where the first branching fraction value in parentheses corresponds to the 550 K data. At the highest temperature, a small amount of propyne (1.0%) was also observed.

  4. Proton and electron impact on molecular and atomic oxygen: I. High resolution fluorescence spectra in the visible and VUV spectral range and emission cross-sections for dissociative ionisation and excitation of O2

    International Nuclear Information System (INIS)

    Wilhelmi, O.; Schartner, K.H.

    2000-01-01

    For pt.II see ibid., vol.11, p.45-58, 2000. Molecular oxygen O 2 was dissociated in collisions with protons and electrons in the intermediate velocity range (p + -energies: 17-800 keV, e - -energies: 0.2-2 keV). Fluorescence from excited atomic and singly ionised fragments and from singly ionised molecules was detected in the VUV and in the visible and near UV spectral range. Highly resolved spectra are presented for the VUV (46-131 nm) and the near UV/visible (340-605 nm) spectral range. Absolute emission cross-sections have been determined for dissociative ionisation and excitation leading to fluorescence in the VUV. Results are compared with published data. (orig.)

  5. Kβ/Kα X-ray intensity ratios for some elements in the atomic number range 28≤Z≤39 at 16.896 keV

    Directory of Open Access Journals (Sweden)

    R. Yılmaz

    2017-07-01

    Full Text Available The K shell intensity ratios (Kβ/Kα have been experimentally determined for some elements in the atomic number range 28 ≤ Z ≤ 39 by using secondary excitation method. K X-rays emitted by samples have been counted by a Si (Li detector with 160 eV resolutions at 5.9 keV. The measured values were compared with the theoretical and experimental values. In general, the values obtained are in good agreement with the calculated values.

  6. Short-range order structures of self-assembled Ge quantum dots probed by multiple-scattering extended x-ray absorption fine structure

    International Nuclear Information System (INIS)

    Sun Zhihu; Wei Shiqiang; Kolobov, A.V.; Oyanagi, H.; Brunner, K.

    2005-01-01

    Multiple-scattering extended x-ray absorption fine structure (MS-EXAFS) has been used to investigate the local structures around Ge atoms in self-assembled Ge-Si quantum dots (QDs) grown on Si(001) substrate. The MS effect of Ge QDs is dominated by the scattering path Ge 0 →B 1 →B 2 →Ge 0 (DS2), which contributes a signal destructively interfering with that of the second shell single-scattering path (SS2). MS-EXAFS analysis reveals that the degree of Ge-Si intermixing for Ge-Si QDs strongly depends on the temperature at which the silicon cap layer is overgrown. It is found that the interatomic distances (R Ge-Ge and R Ge-Si ) within the third nearest-neighbor shells in Ge-Si QDs indicate the compressively strained nature of QDs. The present study demonstrates that the MS-EXAFS provides detailed information on the QDs strain and the Ge-Si mixing beyond the nearest neighbors

  7. Quasi-four-body treatment of charge transfer in the collision of protons with atomic helium: II. Second-order non-Thomas mechanisms and the cross sections

    Science.gov (United States)

    Safarzade, Zohre; Akbarabadi, Farideh Shojaei; Fathi, Reza; Brunger, Michael J.; Bolorizadeh, Mohammad A.

    2018-05-01

    A fully quantum mechanical four-body treatment of charge transfer collisions between energetic protons and atomic helium is developed here. The Pauli exclusion principle is applied to both the wave function of the initial and final states as well as the operators involved in the interaction. Prior to the collision, the helium atom is assumed as a two-body system composed of the nucleus, He2+, and an electron cloud composed of two electrons. Nonetheless, four particles are assumed in the final state. As the double interactions contribute extensively in single charge transfer collisions, the Faddeev-Lovelace-Watson scattering formalism describes it best physically. The treatment of the charge transfer cross section, under this quasi-four-body treatment within the FWL formalism, showed that other mechanisms leading to an effect similar to the Thomas one occur at the same scattering angle. Here, we study the two-body interactions which are not classically described but which lead to an effect similar to the Thomas mechanism and finally we calculate the total singlet and triplet amplitudes as well as the angular distributions of the charge transfer cross sections. As the incoming projectiles are assumed to be plane waves, the present results are calculated for high energies; specifically a projectile energy of 7.42 MeV was assumed as this is where experimental results are available in the literature for comparison. Finally, when possible we compare the present results with the other available theoretical data.

  8. Absolute rate constants for the reaction of O(3P) atoms with ethylene, propylene, and propylene-d6 over the temperature range 258--861 K

    International Nuclear Information System (INIS)

    Perry, R.A.

    1984-01-01

    Absolute rate constants for the reaction of O( 3 P) with ethylene, propylene, and propylene-d6 were determined over the temperature range 258--861 K using a laser photolysis-chemiluminescence technique. The following empirical expressions are the best fits to the data: k/sub ethylene/ = 2.12 x 10 -13 T -63 e -1370 /sup ///sup R//sup T/, k/sub propylene/ = 3.40 x 10 -19 T/sup 2.56/e/sup 1130/RT/, and k/sub propylene-d/6 = 3.40 x 10 -19 T/sup 2.53/ e/sup 1210/R/T cm 3 molecule -1 s -1 . A simple transition state theory model is shown to provide a reasonable explanation for non-Arrhenius temperature behavior

  9. The properties of atomic nuclei at the boundary of proton instability, discussed at the example of very neutron deficient isotopes in the mass range 100-150

    International Nuclear Information System (INIS)

    Roeckl, E.

    1981-10-01

    In this paper it shall be tried to strike the balance after the first years of experimenting at the on-line mass separator of the GSI Darmstadt and to present the main results of the study of very neutron deficient isotopes in the mass range 90-150 as well as the resulting questions for further experiments. First some foundations concerning the properties of neutron deficient nuclei and the measuring method are explained. The results and their interpretation are discussed using examples for the alpha decay, the beta decay, the mass-energy-area, and the proton-drip line. Finally the obtained results are summarized, and an outlook to further studies of nuclear properties far from beta stability is given. (orig.) [de

  10. Bacterial genomes lacking long-range correlations may not be modeled by low-order Markov chains: the role of mixing statistics and frame shift of neighboring genes.

    Science.gov (United States)

    Cocho, Germinal; Miramontes, Pedro; Mansilla, Ricardo; Li, Wentian

    2014-12-01

    We examine the relationship between exponential correlation functions and Markov models in a bacterial genome in detail. Despite the well known fact that Markov models generate sequences with correlation function that decays exponentially, simply constructed Markov models based on nearest-neighbor dimer (first-order), trimer (second-order), up to hexamer (fifth-order), and treating the DNA sequence as being homogeneous all fail to predict the value of exponential decay rate. Even reading-frame-specific Markov models (both first- and fifth-order) could not explain the fact that the exponential decay is very slow. Starting with the in-phase coding-DNA-sequence (CDS), we investigated correlation within a fixed-codon-position subsequence, and in artificially constructed sequences by packing CDSs with out-of-phase spacers, as well as altering CDS length distribution by imposing an upper limit. From these targeted analyses, we conclude that the correlation in the bacterial genomic sequence is mainly due to a mixing of heterogeneous statistics at different codon positions, and the decay of correlation is due to the possible out-of-phase between neighboring CDSs. There are also small contributions to the correlation from bases at the same codon position, as well as by non-coding sequences. These show that the seemingly simple exponential correlation functions in bacterial genome hide a complexity in correlation structure which is not suitable for a modeling by Markov chain in a homogeneous sequence. Other results include: use of the (absolute value) second largest eigenvalue to represent the 16 correlation functions and the prediction of a 10-11 base periodicity from the hexamer frequencies. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Reduced-order computational model in nonlinear structural dynamics for structures having numerous local elastic modes in the low-frequency range. Application to fuel assemblies

    International Nuclear Information System (INIS)

    Batou, A.; Soize, C.; Brie, N.

    2013-01-01

    Highlights: • A ROM of a nonlinear dynamical structure is built with a global displacements basis. • The reduced order model of fuel assemblies is accurate and of very small size. • The shocks between grids of a row of seven fuel assemblies are computed. -- Abstract: We are interested in the construction of a reduced-order computational model for nonlinear complex dynamical structures which are characterized by the presence of numerous local elastic modes in the low-frequency band. This high modal density makes the use of the classical modal analysis method not suitable. Therefore the reduced-order computational model is constructed using a basis of a space of global displacements, which is constructed a priori and which allows the nonlinear dynamical response of the structure observed on the stiff part to be predicted with a good accuracy. The methodology is applied to a complex industrial structure which is made up of a row of seven fuel assemblies with possibility of collisions between grids and which is submitted to a seismic loading

  12. Reduced-order computational model in nonlinear structural dynamics for structures having numerous local elastic modes in the low-frequency range. Application to fuel assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Batou, A., E-mail: anas.batou@univ-paris-est.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallee (France); Soize, C., E-mail: christian.soize@univ-paris-est.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallee (France); Brie, N., E-mail: nicolas.brie@edf.fr [EDF R and D, Département AMA, 1 avenue du général De Gaulle, 92140 Clamart (France)

    2013-09-15

    Highlights: • A ROM of a nonlinear dynamical structure is built with a global displacements basis. • The reduced order model of fuel assemblies is accurate and of very small size. • The shocks between grids of a row of seven fuel assemblies are computed. -- Abstract: We are interested in the construction of a reduced-order computational model for nonlinear complex dynamical structures which are characterized by the presence of numerous local elastic modes in the low-frequency band. This high modal density makes the use of the classical modal analysis method not suitable. Therefore the reduced-order computational model is constructed using a basis of a space of global displacements, which is constructed a priori and which allows the nonlinear dynamical response of the structure observed on the stiff part to be predicted with a good accuracy. The methodology is applied to a complex industrial structure which is made up of a row of seven fuel assemblies with possibility of collisions between grids and which is submitted to a seismic loading.

  13. Order BMD 85-37 and 85-37A making rules respecting the proceedings of the Atomic Energy Control Board

    International Nuclear Information System (INIS)

    1985-01-01

    This Order dated 14 March 1985 establishes rules for the proceedings of the AECB and sets out the requirements to be complied with by persons applying to make representations. It also lays down the procedure for hearings. (NEA)

  14. Charge-transfer cross sections of ground state He+ ions in collisions with He atoms and simple molecules in the energy range below 4.0 keV

    International Nuclear Information System (INIS)

    Kusakabe, Toshio; Kitamuro, Satoshi; Nakai, Yohta; Tawara, Hiroyuki; Sasao, Mamiko

    2012-01-01

    Charge-transfer cross sections of the ground state He + ions in collisions with He atoms and simple molecules (H 2 , D 2 , N 2 , CO and CO 2 ) have been measured in the energy range of 0.20 to 4.0 keV with the initial growth rate method. Since previously published experimental data are scattered in the low energy region, the present observations would provide reasonably reliable cross section data below 4 keV. The charge transfer accompanied by dissociation of product molecular ion can be dominant at low energies for molecular targets. In He + + D 2 collisions, any isotope effect was not observed over the present energy range, compared to H 2 molecule. (author)

  15. Design of a self-aligned, wide temperature range (300 mK-300 K) atomic force microscope/magnetic force microscope with 10 nm magnetic force microscope resolution

    Energy Technology Data Exchange (ETDEWEB)

    Karcı, Özgür [NanoMagnetics Instruments Ltd., Hacettepe - İvedik OSB Teknokent, 1368. Cad., No: 61/33, 06370, Yenimahalle, Ankara (Turkey); Department of Nanotechnology and Nanomedicine, Hacettepe University, Beytepe, 06800 Ankara (Turkey); Dede, Münir [NanoMagnetics Instruments Ltd., Hacettepe - İvedik OSB Teknokent, 1368. Cad., No: 61/33, 06370, Yenimahalle, Ankara (Turkey); Oral, Ahmet, E-mail: orahmet@metu.edu.tr [Department of Physics, Middle East Technical University, 06800 Ankara (Turkey)

    2014-10-01

    We describe the design of a wide temperature range (300 mK-300 K) atomic force microscope/magnetic force microscope with a self-aligned fibre-cantilever mechanism. An alignment chip with alignment groves and a special mechanical design are used to eliminate tedious and time consuming fibre-cantilever alignment procedure for the entire temperature range. A low noise, Michelson fibre interferometer was integrated into the system for measuring deflection of the cantilever. The spectral noise density of the system was measured to be ~12 fm/√Hz at 4.2 K at 3 mW incident optical power. Abrikosov vortices in BSCCO(2212) single crystal sample and a high density hard disk sample were imaged at 10 nm resolution to demonstrate the performance of the system.

  16. Design of a self-aligned, wide temperature range (300 mK-300 K) atomic force microscope/magnetic force microscope with 10 nm magnetic force microscope resolution

    International Nuclear Information System (INIS)

    Karcı, Özgür; Dede, Münir; Oral, Ahmet

    2014-01-01

    We describe the design of a wide temperature range (300 mK-300 K) atomic force microscope/magnetic force microscope with a self-aligned fibre-cantilever mechanism. An alignment chip with alignment groves and a special mechanical design are used to eliminate tedious and time consuming fibre-cantilever alignment procedure for the entire temperature range. A low noise, Michelson fibre interferometer was integrated into the system for measuring deflection of the cantilever. The spectral noise density of the system was measured to be ∼12 fm/√Hz at 4.2 K at 3 mW incident optical power. Abrikosov vortices in BSCCO(2212) single crystal sample and a high density hard disk sample were imaged at 10 nm resolution to demonstrate the performance of the system

  17. Exotic atoms

    International Nuclear Information System (INIS)

    Kunselman, R.

    1993-01-01

    The experiments use a solid hydrogen layer to form muonic hydrogen isotopes that escape into vacuum. The method relies on transfer of the muon from protium to either a deuteron or a triton. The resulting muonic deuterium or muonic tritium will not immediately thermalize because of the very low elastic cross sections, and may be emitted from the surface of the layer. Measurements which detect decay electrons, muonic x-rays, and fusion products have been used to study the processes. A target has been constructed which exploits muonic atom emission in order to learn more about the energy dependence of transfer and muon molecular formation

  18. Discovery of a new phase with magnetic short range correlations and its possible relevance for the hidden order in URu{sub 2}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Sykora, Steffen [IFW Dresden, P.O. Box 270116, D-01171 Dresden (Germany); Becker, Klaus W. [Technische Universitaet Dresden, D-01062 Dresden (Germany)

    2016-07-01

    In this paper we discuss a new phase of the Kondo lattice model which arises from the competition of Kondo and RKKY energy scales. Normally the Kondo lattice model is used to capture the low-energy physics of heavy fermion systems. However, according to the so-called Doniach picture the Kondo state will be replaced by an antiferromagnetic state for the case that the Kondo energy scale becomes smaller than the magnetic interaction between magnetic ions. In the present study we start instead from a modified electronic one-particle dispersion which avoids nesting of particle-hole excitations. Thus the magnetic ordered state should be suppressed which provides an opportunity for the inset of a new low-energy state with competing Kondo and magnetic energies. As will be shown, this new state avoids magnetic symmetry breaking but leads to a number of physical properties which are relevant for the understanding of the hidden order state in URu{sub 2}Si{sub 2}.

  19. Perturbation-based moment equation approach for flow in heterogeneous porous media: applicability range and analysis of high-order terms

    International Nuclear Information System (INIS)

    Li Liyong; Tchelepi, Hamdi A.; Zhang Dongxiao

    2003-01-01

    We present detailed comparisons between high-resolution Monte Carlo simulation (MCS) and low-order numerical solutions of stochastic moment equations (SMEs) for the first and second statistical moments of pressure. The objective is to quantify the difference between the predictions obtained from MCS and SME. Natural formations with high permeability variability and large spatial correlation scales are of special interest for underground resources (e.g. oil and water). Consequently, we focus on such formations. We investigated fields with variance of log-permeability, σ Y 2 , from 0.1 to 3.0 and correlation scales (normalized by domain length) of 0.05 to 0.5. In order to avoid issues related to statistical convergence and resolution level, we used 9000 highly resolved realizations of permeability for MCS. We derive exact discrete forms of the statistical moment equations. Formulations based on equations written explicitly in terms of permeability (K-based) and log-transformed permeability (Y-based) are considered. The discrete forms are applicable to systems of arbitrary variance and correlation scales. However, equations governing a particular statistical moment depend on higher moments. Thus, while the moment equations are exact, they are not closed. In particular, the discrete form of the second moment of pressure includes two triplet terms that involve log-permeability (or permeability) and pressure. We combined MCS computations with full discrete SME equations to quantify the importance of the various terms that make up the moment equations. We show that second-moment solutions obtained using a low-order Y-based SME formulation are significantly better than those from K-based formulations, especially when σ Y 2 >1. As a result, Y-based formulations are preferred. The two triplet terms are complex functions of the variance level and correlation length. The importance (contribution) of these triplet terms increases dramatically as σ Y 2 increases above one. We

  20. Probing long-range structural order in SnPc/Ag(111) by umklapp process assisted low-energy angle-resolved photoelectron spectroscopy

    Science.gov (United States)

    Jauernik, Stephan; Hein, Petra; Gurgel, Max; Falke, Julian; Bauer, Michael

    2018-03-01

    Laser-based angle-resolved photoelectron spectroscopy is performed on tin-phthalocyanine (SnPc) adsorbed on silver Ag(111). Upon adsorption of SnPc, strongly dispersing bands are observed which are identified as secondary Mahan cones formed by surface umklapp processes acting on photoelectrons from the silver substrate as they transit through the ordered adsorbate layer. We show that the photoemission data carry quantitative structural information on the adsorbate layer similar to what can be obtained from a conventional low-energy electron diffraction (LEED) study. More specifically, we compare photoemission data and LEED data probing an incommensurate-to-commensurate structural phase transition of the adsorbate layer. Based on our results we propose that Mahan-cone spectroscopy operated in a pump-probe configuration can be used in the future to probe structural dynamics at surfaces with a temporal resolution in the sub-100-fs regime.

  1. Exchange integrals and magnetic short range order in the system CdCr2-xGaxSe4 (0=

    International Nuclear Information System (INIS)

    Bakrim, H.; Bouslykhane, K.; Hamedoun, M.; Hourmatallah, A.; Benzakour, N.

    2005-01-01

    High-temperature series expansions are derived for the magnetic susceptibility and two-spin correlation functions for a Heisenberg ferromagnetic model on the B-spinel lattice. The calculations are developed in the framework of the random phase approximation and are given for both nearest and next-nearest neighbour exchange integrals J1 and J2, respectively. Our results are given up to order 6 in β=(kBT)-1 and are used to study the paramagnetic region of the ferromagnetic spinel CdCr 2-x Ga x Se 4 . The critical temperature Tc and the critical exponents γ and ν associated with the magnetic susceptibility χ(T) and the correlation length ξ(T), respectively are deduced by applying the Pade approximate methods. The results as a function of the dilution x obtained by the present approach are found to be in agreement with the experimental ones

  2. Atomic charges of sulfur in ionic liquids: experiments and calculations.

    Science.gov (United States)

    Fogarty, Richard M; Rowe, Rebecca; Matthews, Richard P; Clough, Matthew T; Ashworth, Claire R; Brandt, Agnieszka; Corbett, Paul J; Palgrave, Robert G; Smith, Emily F; Bourne, Richard A; Chamberlain, Thomas W; Thompson, Paul B J; Hunt, Patricia A; Lovelock, Kevin R J

    2017-12-14

    Experimental near edge X-ray absorption fine structure (NEXAFS) spectra, X-ray photoelectron (XP) spectra and Auger electron spectra are reported for sulfur in ionic liquids (ILs) with a range of chemical structures. These values provide experimental measures of the atomic charge in each IL and enable the evaluation of the suitability of NEXAFS spectroscopy and XPS for probing the relative atomic charge of sulfur. In addition, we use Auger electron spectroscopy to show that when XPS binding energies differ by less than 0.5 eV, conclusions on atomic charge should be treated with caution. Our experimental data provides a benchmark for calculations of the atomic charge of sulfur obtained using different methods. Atomic charges were computed for lone ions and ion pairs, both in the gas phase (GP) and in a solvation model (SMD), with a wide range of ion pair conformers considered. Three methods were used to compute the atomic charges: charges from the electrostatic potential using a grid based method (ChelpG), natural bond orbital (NBO) population analysis and Bader's atoms in molecules (AIM) approach. By comparing the experimental and calculated measures of the atomic charge of sulfur, we provide an order for the sulfur atoms, ranging from the most negative to the most positive atomic charge. Furthermore, we show that both ChelpG and NBO are reasonable methods for calculating the atomic charge of sulfur in ILs, based on the agreement with both the XPS and NEXAFS spectroscopy results. However, the atomic charges of sulfur derived from ChelpG are found to display significant, non-physical conformational dependence. Only small differences in individual atomic charge of sulfur were observed between lone ion (GP) and ion pair IL(SMD) model systems, indicating that ion-ion interactions do not strongly influence individual atomic charges.

  3. New approach for determination of the influence of long-range order and selected ring oscillations on IR spectra in zeolites

    Science.gov (United States)

    Mikuła, Andrzej; Król, Magdalena; Mozgawa, Włodzimierz; Koleżyński, Andrzej

    2018-04-01

    Vibrational spectroscopy can be considered as one of the most important methods used for structural characterization of various porous aluminosilicate materials, including zeolites. On the other hand, vibrational spectra of zeolites are still difficult to interpret, particularly in the pseudolattice region, where bands related to ring oscillations can be observed. Using combination of theoretical and computational approach, a detailed analysis of these regions of spectra is possible; such analysis should be, however, carried out employing models with different level of complexity and simultaneously the same theory level. In this work, an attempt was made to identify ring oscillations in vibrational spectra of selected zeolite structures. A series of ab initio calculations focused on S4R, S6R, and as a novelty, 5-1 isolated clusters, as well as periodic siliceous frameworks built from those building units (ferrierite (FER), mordenite (MOR) and heulandite (HEU) type) have been carried out. Due to the hierarchical structure of zeolite frameworks it can be expected that the total envelope of the zeolite spectra should be with good accuracy a sum of the spectra of structural elements that build each zeolite framework. Based on the results of HF calculations, normal vibrations have been visualized and detailed analysis of pseudolattice range of resulting theoretical spectra have been carried out. Obtained results have been applied for interpretation of experimental spectra of selected zeolites.

  4. Radiative nonrecoil nuclear finite size corrections of order $\\alpha(Z \\alpha)^5$ to the Lamb shift in light muonic atoms

    OpenAIRE

    Faustov, R. N.; Martynenko, A. P.; Martynenko, F. A.; Sorokin, V. V.

    2017-01-01

    On the basis of quasipotential method in quantum electrodynamics we calculate nuclear finite size radiative corrections of order α(Zα)5 to the Lamb shift in muonic hydrogen and helium. To construct the interaction potential of particles, which gives the necessary contributions to the energy spectrum, we use the method of projection operators to states with a definite spin. Separate analytic expressions for the contributions of the muon self-energy, the muon vertex operator and the amplitude...

  5. Absence of Long-Ranged Charge Order in NaxCa2-xCuO2Cl2 (x=0.08)

    Energy Technology Data Exchange (ETDEWEB)

    Smadici,S.; Abbamonte, P.; Taguchi, M.; Kohsaka, Y.; Sasagawa, T.; Azuma, M.; Takano, M.; Takagi, H.

    2007-01-01

    Recent scanning-tunneling spectroscopy (STS) studies of the cupric oxychloride Na{sub x}Ca{sub 2-x}CuO{sub 2}Cl{sub 2} (NCCOC) have uncovered a periodic 4a x 4a density of states (DOS) modulation, termed a 'checkerboard' (T. Hanaguri et al., Nature (London) 430, 1001 (2004)). The periodicity of this phase is the same as that of the 'stripe' charge order observed with neutron scattering in the very similar systems La{sub 1.48}Nd{sub 0.4}Sr{sub 0.12}CuO{sub 4} (LNSCO). This raises the question of whether the stripes are, in fact, actually checkerboards. Unfortunately, NCCOC samples are very small and LBCO and LNSCO samples do not cleave, so neutron and STS measurements cannot be carried out on the same system. To determine the relationship between stripes and checkers, we used resonant soft-x-ray scattering, previously applied to LBCO, to study single crystals of NCCOC. No evidence was seen for a 4a x 4a DOS modulation, indicating that the checkerboard effect is not directly related to the stripe modulation in LBCO. We place an upper bound on the product of the charge amplitude and the square of the in-plane correlation length of 2.3 x 10{sup 3} hole {angstrom}{sup 2}. Our measurements suggest that the checkers in NCCOC are either glassy or are nucleated by the surface, as suggested by Brown et al.

  6. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

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

  7. Atoms in strong laser fields

    International Nuclear Information System (INIS)

    L'Huillier, A.

    2002-01-01

    When a high-power laser focuses into a gas of atoms, the electromagnetic field becomes of the same magnitude as the Coulomb field which binds a 1s electron in a hydrogen atom. 3 highly non-linear phenomena can happen: 1) ATI (above threshold ionization): electrons initially in the ground state absorb a large number of photons, many more than the minimum number required for ionization; 2) multiple ionization: many electrons can be emitted one at a time, in a sequential process, or simultaneously in a mechanism called direct or non-sequential; and 3) high order harmonic generation (HHG): efficient photon emission in the extreme ultraviolet range, in the form of high-order harmonics of the fundamental laser field can occur. The theoretical problem consists in solving the time dependent Schroedinger equation (TDSE) that describes the interaction of a many-electron atom with a laser field. A number of methods have been proposed to solve this problem in the case of a hydrogen atom or a single-active electron atom in a strong laser field. A large effort is presently being devoted to go beyond the single-active approximation. The understanding of the physics of the interaction between atoms and strong laser fields has been provided by a very simple model called ''simple man's theory''. A unified view of HHG, ATI, and non-sequential ionization, originating from the simple man's model and the strong field approximation, expressed in terms of electrons trajectories or quantum paths is slowly emerging. (A.C.)

  8. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

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

  9. Mass energy-absorption coefficients and average atomic energy-absorption cross-sections for amino acids in the energy range 0.122-1.330 MeV

    Energy Technology Data Exchange (ETDEWEB)

    More, Chaitali V., E-mail: chaitalimore89@gmail.com; Lokhande, Rajkumar M.; Pawar, Pravina P., E-mail: pravinapawar4@gmail.com [Department of physics, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad 431004 (India)

    2016-05-06

    Mass attenuation coefficients of amino acids such as n-acetyl-l-tryptophan, n-acetyl-l-tyrosine and d-tryptophan were measured in the energy range 0.122-1.330 MeV. NaI (Tl) scintillation detection system was used to detect gamma rays with a resolution of 8.2% at 0.662 MeV. The measured attenuation coefficient values were then used to determine the mass energy-absorption coefficients (σ{sub a,en}) and average atomic energy-absorption cross sections (μ{sub en}/ρ) of the amino acids. Theoretical values were calculated based on XCOM data. Theoretical and experimental values are found to be in good agreement.

  10. Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals

    International Nuclear Information System (INIS)

    Loibl, Stefan; Schütz, Martin

    2014-01-01

    In this paper, we present theory and implementation of an efficient program for calculating magnetizabilities and rotational g tensors of closed-shell molecules at the level of local second-order Møller-Plesset perturbation theory (MP2) using London orbitals. Density fitting is employed to factorize the electron repulsion integrals with ordinary Gaussians as fitting functions. The presented program for the calculation of magnetizabilities and rotational g tensors is based on a previous implementation of NMR shielding tensors reported by S. Loibl and M. Schütz [J. Chem. Phys. 137, 084107 (2012)]. Extensive test calculations show (i) that the errors introduced by density fitting are negligible, and (ii) that the errors of the local approximation are still rather small, although larger than for nuclear magnetic resonance (NMR) shielding tensors. Electron correlation effects for magnetizabilities are tiny for most of the molecules considered here. MP2 appears to overestimate the correlation contribution of magnetizabilities such that it does not constitute an improvement over Hartree-Fock (when comparing to higher-order methods like CCSD(T)). For rotational g tensors the situation is different and MP2 provides a significant improvement in accuracy over Hartree-Fock. The computational performance of the new program was tested for two extended systems, the larger comprising about 2200 basis functions. It turns out that a magnetizability (or rotational g tensor) calculation takes about 1.5 times longer than a corresponding NMR shielding tensor calculation

  11. Atomic and magnetic configurational energetics by the generalized perturbation method

    DEFF Research Database (Denmark)

    Ruban, Andrei V.; Shallcross, Sam; Simak, S.I.

    2004-01-01

    in the framework of the Korringa-Kohn-Rostoker method within the atomic sphere and coherent potential approximations. This is demonstrated with calculations of ordering energies, short-range order parameters, and transition temperatures in the CuZn, CuAu, CuPd, and PtCo systems. Furthermore, we show that the GPM...

  12. Measurement of the x-ray mass attenuation coefficient and determination of the imaginary component of the atomic form factor of molybdenum over the 13.5-41.5-keV energy range

    International Nuclear Information System (INIS)

    Jonge, Martin D. de; Tran, Chanh Q.; Chantler, Christopher T.; Barnea, Zwi; Dhal, Bipin B.; Cookson, David J.; Lee, Wah-Keat; Mashayekhi, Ali

    2005-01-01

    We use the x-ray extended-range technique (XERT) [Chantler et al., Phys. Rev. A 64, 062506 (2001)] to measure the mass attenuation coefficients of molybdenum in the x-ray energy range of 13.5-41.5 keV to 0.02-0.15 % accuracy. Measurements made over an extended range of the measurement parameter space are critically examined to identify, quantify, and correct where necessary a number of experimental systematic errors. These results represent the most extensive experimental data set for molybdenum and include absolute mass attenuation coefficients in the regions of the x-ray absorption fine structure (XAFS) and x-ray-absorption near-edge structure (XANES). The imaginary component of the atomic form-factor f 2 is derived from the photoelectric absorption after subtracting calculated Rayleigh and Compton scattering cross sections from the total attenuation. Comparison of the result with tabulations of calculated photoelectric absorption coefficients indicates that differences of 1-15 % persist between the calculated and observed values

  13. Atom optics

    International Nuclear Information System (INIS)

    Balykin, V. I.; Jhe, W.

    1999-01-01

    Atom optics, in analogy to neutron and electron optics, deals with the realization of as a traditional elements, such as lenes, mirrors, beam splitters and atom interferometers, as well as a new 'dissipative' elements such as a slower and a cooler, which have no analogy in an another types of optics. Atom optics made the development of atom interferometer with high sensitivity for measurement of acceleration and rotational possible. The practical interest in atom optics lies in the opportunities to create atom microprobe with atom-size resolution and minimum damage of investigated objects. (Cho, G. S.)

  14. Federal Order approving the Agreement for cooperation on the peaceful uses of atomic energy between the Swiss Government and the Government of the United States of America

    International Nuclear Information System (INIS)

    1966-03-01

    This Order reproduces the Agreement of 30 December 1965 between Switzerland and the USA on peaceful nuclear cooperation. The Agreement, which entered into force on 8 August 1966 for 30 years replaced a previous similar Agreement of 1956. The Agreement provides for exchanges of information on the development, construction, operation of reactors, including nuclear power plants; various uses of radioisotopes and exchanges of personnel. The Agreement also provides for US supply of nuclear material and equipment to Switzerland, subject to guarantees given by that country that the material and equipment supplied will be used solely for peaceful purposes. Both Parties agreed to enter into a Safeguards Agreement with IAEA regarding material and equipment requiring such controls under the Agreement. (NEA) [fr

  15. Atomic structure of non-stoichiometric transition metal carbides

    International Nuclear Information System (INIS)

    Moisy-Maurice, Virginie.

    1981-10-01

    Different kinds of experimental studies of the atomic arrangement in non-stoichiometric transition metal carbides are proposed: the ordering of carbon vacancies and the atomic static displacements are the main subjects studied. Powder neutron diffraction on TiCsub(1-x) allowed us to determine the order-disorder transition critical temperature -Tsub(c) approximately 770 0 C- in the TiCsub(0.52-0.67) range, and to analyze at 300 K the crystal structure of long-range ordered samples. A neutron diffuse scattering quantitative study at 300 K of short-range order in TiCsub(0.76), TiCsub(0.79) and NbCsub(0.73) single crystals is presented: as in Ti 2 Csub(1+x) and Nb 6 C 5 superstructures, vacancies avoid to be on each side of a metal atom. Besides, the mean-square carbon atom displacements from their sites are small, whereas metal atoms move radially about 0.03 A away from vacancies. These results are in qualitative agreement with EXAFS measurements at titanium-K edge of TiCsub(1-x). An interpretation of ordering in term of short-range interaction pair potentials between vacancies is proposed [fr

  16. Atom-by-atom assembly

    International Nuclear Information System (INIS)

    Hla, Saw Wai

    2014-01-01

    Atomic manipulation using a scanning tunneling microscope (STM) tip enables the construction of quantum structures on an atom-by-atom basis, as well as the investigation of the electronic and dynamical properties of individual atoms on a one-atom-at-a-time basis. An STM is not only an instrument that is used to ‘see’ individual atoms by means of imaging, but is also a tool that is used to ‘touch’ and ‘take’ the atoms, or to ‘hear’ their movements. Therefore, the STM can be considered as the ‘eyes’, ‘hands’ and ‘ears’ of the scientists, connecting our macroscopic world to the exciting atomic world. In this article, various STM atom manipulation schemes and their example applications are described. The future directions of atomic level assembly on surfaces using scanning probe tips are also discussed. (review article)

  17. Short-range order in irradiated diamonds

    International Nuclear Information System (INIS)

    Agafonov, S.S.; Glazkov, V.P.; Nikolaenko, V.A.; Somenkov, V.A.

    2005-01-01

    Structural changes in irradiated diamond with a change in its density were studied. Natural diamond powders with average particle size from 14-20 μm to 0.5 mm, irradiated in beryllium block of the MR reactor up to a fluence of 1.51 x 10 21 were used as samples. Using the neutron-diffraction method, it has been established that, when density in irradiated diamonds varies, a transition from a diamond-like amorphous structure to a graphite-like structure occurs. The transition occurs at a density ρ ∼ 2.7-2.9 g/cm 3 and is accompanied by a sharp change in resistivity [ru

  18. Short range order in amorphous polycondensates

    Energy Technology Data Exchange (ETDEWEB)

    Lamers, C.; Richter, D.; Schweika, W. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Festkoerperforschung; Batoulis, J.; Sommer, K. [Bayer AG, Leverkusen (Germany); Cable, J.W. [Oak Ridge National Lab., TN (United States); Shapiro, S.M. [Brookhaven National Lab., Upton, NY (United States)

    1992-12-01

    The static coherent structure factors S(Q) of the polymer glass Bisphenol-A-Polycarbonate and its chemical variation Bisphenol-A- Polyctherkctone- both in differently deuterated versions- have been measured by spin polarized neutron scattering. The method of spin polarization analysis provided an experimental separation of coherent and incoherent scattering and a reliable intensity calibration. Results are compared to structure factors calculated for model structures which were obtained by ``amorphous cell`` computer simulations. In general reasonable agreement is found between experiment and simulation; however, certain discrepancies hint at an insufficient structural relaxation in the amorphous cell method. 15 refs, 1 fig, 1 tab.

  19. Trapped atoms along nanophotonic resonators

    Science.gov (United States)

    Fields, Brian; Kim, May; Chang, Tzu-Han; Hung, Chen-Lung

    2017-04-01

    Many-body systems subject to long-range interactions have remained a very challenging topic experimentally. Ultracold atoms trapped in extreme proximity to the surface of nanophotonic structures provides a dynamic system combining the strong atom-atom interactions mediated by guided mode photons with the exquisite control implemented with trapped atom systems. The hybrid system promises pair-wise tunability of long-range interactions between atomic pseudo spins, allowing studies of quantum magnetism extending far beyond nearest neighbor interactions. In this talk, we will discuss our current status developing high quality nanophotonic ring resonators, engineered on CMOS compatible optical chips with integrated nanostructures that, in combination with a side illuminating beam, can realize stable atom traps approximately 100nm above the surface. We will report on our progress towards loading arrays of cold atoms near the surface of these structures and studying atom-atom interaction mediated by photons with high cooperativity.

  20. Microwave absorption measurements in the complex perovskite Pb(Fe{sub 0.5}Ta{sub 0.5})O{sub 3}: Detection of short-range orderly regions

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, G., E-mail: memodin@yahoo.com [Seccion de Estudios de Posgrado e Investigacion, ESFM-IPN, U.P. Adolfo Lopez Mateos Edificio 9, Av. Instituto Politecnico Nacional S/N, San Pedro Zacatenco, Mexico DF 07738 (Mexico); Montiel, H. [Departamento de Tecnociencias, Centro de Ciencias Aplicadas y Desarrollo Tecnologico de la Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, Mexico DF 04510 (Mexico); Castellanos, M.A. [Facultad de Quimica, Universidad Nacional Autonoma de Mexico, Cd. Universitaria, Mexico DF 04510 (Mexico); Heiras, J. [Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Km. 107, Carretera Tijuana Ensenada, Ensenada, Baja California 22860 (Mexico); Zamorano, R. [Seccion de Estudios de Posgrado e Investigacion, ESFM-IPN, U.P. Adolfo Lopez Mateos Edificio 9, Av. Instituto Politecnico Nacional S/N, San Pedro Zacatenco, Mexico DF 07738 (Mexico)

    2011-10-17

    Highlights: {yields} LFMA spectra showed straight lines with positive slope and non-hysteretic traces. {yields} The spectral changes for the plot of the slope vs. temperature give evidence of the formation of iron clusters. {yields} These small orderly regions of iron ions generate short-range magnetic correlations, and that they produce changes in dynamics of microwave absorption. - Abstract: An electron paramagnetic resonance (EPR) study of the complex perovskite Pb(Fe{sub 0.5}Ta{sub 0.5})O{sub 3} (PFT) at X-band (8.8-9.8 GHz) is presented. The EPR spectra show a single broad line in the 300-480 K temperature range, attributable to Fe{sup 3+} (S = 5/2) ions. The temperature dependence of the EPR parameters: the peak-to-peak linewidth ({Delta}H{sub pp}), the resonance field (H{sub res}) and the integrated intensity (I{sub EPR}), suggests the existence of short-range magnetic correlations; which are associated with the presence of small orderly regions of iron ions in B-sites of the perovskites-type structure, and that they give origin to formation of iron clusters. Low-field microwave absorption (LFMA) is used to give further knowledge on this material; where this technique also gives evidence of these short-range orderly regions.

  1. Coexistence of short- and long-range ferromagnetic order in nanocrystalline Fe2Mn1−xCuxAl (x=0.0, 0.1 and 0.3) synthesized by high-energy ball milling

    International Nuclear Information System (INIS)

    Thanh, Tran Dang; Nanto, Dwi; Tuyen, Ngo Thi Uyen; Nan, Wen-Zhe; Yu, YiKyung; Tartakovsky, Daniel M.; Yu, S.C.

    2015-01-01

    In this work, we prepared nanocrystalline Fe 2 Mn 1−x Cu x Al (x=0.0, 0.1 and 0.3) powders by the high energy ball milling technique, and then studied their critical properties. Our analysis reveals that the increase of Cu-doping concentration (up to x=0.3) in these powders leads to a gradual increase of the ferromagnetic–paramagnetic transition temperature from 406 to 452 K. The Banerjee criterion suggests that all the samples considered undergo a second-order phase transition. A modified Arrott plot and scaling analysis indicate that the critical exponents (β=0.419 and 0.442, γ=1.082 and 1.116 for x=0.0 and 0.1, respectively) are located in between those expected for the 3D-Heisenberg and the mean-field models; the values of β=0.495 and γ=1.046 for x=0.3 sample are very close to those of the mean-field model. These features reveal the coexistence of the short- and long-range ferromagnetic order in the nanocrystalline Fe 2 Mn 1−x Cu x Al powders. Particularly, as the concentration of Cu increases, values of the critical exponent shift towards those of the mean-field model. Such results prove the Cu doping favors establishing a long-range ferromagnetic order. - Highlights: • Fe 2 Mn 1−x Cu x Al nanocrystals were prepared by a high energy ball milling method. • A coexistence of the short- and long-range FM order in the nanocrystals. • Cu doping favors establishing a long-range FM order in the nanocrystals. • All the ΔS m (T, H) data are followed a universal master curve

  2. Atom trap trace analysis

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-05-25

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

  3. Atom trap trace analysis

    International Nuclear Information System (INIS)

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

    2000-01-01

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

  4. Order no 000040/M/DIRCAB/PRN from December 03,2014 provides for composition, assignments and modes of the working of the technical and scientist advice consultative of the high Nigerian Autority of the Atomic Energy

    International Nuclear Information System (INIS)

    Saidou, Sidibe

    2014-01-01

    this Order provides for composition, assignments and modes of the working of the technical and scientist advice consultative of the high Nigerian Autority of the Atomic Energy, this consultative advice composed of forty member and a president (president of HANEA) and a reporter (general secretary of HANEA) is placed under the authority of the HANEA. It constitutes a national committee of nuclear security, to this title it orients the activities and assure the follow-up: - of the built-in plan of national nuclear security (IAEA-NIGER) - the plan of the stake doesn't work of the resolution 1540 (ONU-NIGER) - of strategies for the attenuation of chemical and biologic nuclear risk NRBC [fr

  5. Atomic physics

    CERN Document Server

    Foot, Christopher J

    2007-01-01

    This text will thoroughly update the existing literature on atomic physics. Intended to accompany an advanced undergraduate course in atomic physics, the book will lead the students up to the latest advances and the applications to Bose-Einstein Condensation of atoms, matter-wave inter-ferometry and quantum computing with trapped ions. The elementary atomic physics covered in the early chapters should be accessible to undergraduates when they are first introduced to the subject. To complement. the usual quantum mechanical treatment of atomic structure the book strongly emphasizes the experimen

  6. Random model of two-level atoms interacting with electromagnetic field

    International Nuclear Information System (INIS)

    Kireev, A.N.; Meleshko, A.N.

    1983-12-01

    A phase transition has been studied in a random system of two-level atoms interacting with an electromagnetic field. It is shown that superradiation can arise when there is short-range order in a spin-subsystem. The existence of long-range order is irrelevant for this phase transition

  7. Atomic physics

    International Nuclear Information System (INIS)

    Armbruster, P.; Beyer, H.; Bosch, F.; Dohmann, H.D.; Kozhuharov, C.; Liesen, D.; Mann, R.; Mokler, P.H.

    1984-01-01

    The heavy ion accelerator UNILAC is well suited to experiments in the field of atomic physics because, with the aid of high-energy heavy ions atoms can be produced in exotic states - that is, heavy atoms with only a few electrons. Also, in close collisions of heavy ions (atomic number Z 1 ) and heavy target atoms (Z 2 ) short-lived quasi-atomic 'superheavy' systems will be formed - huge 'atoms', where the inner electrons are bound in the field of the combined charge Z 1 + Z 2 , which exceeds by far the charge of the known elements (Z <= 109). Those exotic or transient superheavy atoms delivered from the heavy ion accelerator make it possible to study for the first time in a terrestrial laboratory exotic, but fundamental, processes, which occur only inside stars. Some of the basic research carried out with the UNILAC is discussed. This includes investigation of highly charged heavy atoms with the beam-foil method, the spectroscopy of highly charged slow-recoil ions, atomic collision studies with highly ionised, decelerated ions and investigations of super-heavy quasi-atoms. (U.K.)

  8. The production and investigation of cold antihydrogen atoms

    International Nuclear Information System (INIS)

    Pittner, H.

    2005-04-01

    This work reports on experiments in which antihydrogen atoms have been produced in cryogenic Penning traps from antiproton and positron plasmas by two different methods and on experiments that have been carried out subsequently in order to investigate the antihydrogen atoms. By the first method antihydrogen atoms have been formed during the process of positron cooling of antiprotons in so called nested Penning traps and detected via a field ionization method. A measurement of the state distribution has revealed that the antihydrogen atoms are formed in highly excited states. This suggests along with the high production rate that the antihydrogen atoms are formed by three-body recombination processes and subsequent collisional deexcitations. However current theory cannot yet account for the measured state distribution. Typical radii of the detected antihydrogen atoms lie in the range between 0.4 μm and 0.15 μm. The deepest bound antihydrogen atoms have radii below 0.1 μm.The kinetic energy of the weakest bound antihydrogen atoms has been measured to about 200 meV. By the second method antihydrogen atoms have been synthesized in charge-exchange processes. Lasers are used to produce a Rydberg cesium beam within the cryogenic Penning trap that collides with trapped positrons so that Rydberg positronium atoms are formed via charge-exchange reactions. The Rydberg positronium atoms that collide with nearby stored antiprotons form antihydrogen atoms in charge-exchange reactions. So far, 14±4 antihydrogen atoms have been detected background-free via a field-ionization method. The antihydrogen atoms produced via the two-step charge-exchange mechanism are expected to have a temperature of 4.2 K, the temperature of the antiprotons from which they are formed

  9. Anomalous atomic displacement parameters and local dynamics in the Curie range of a Pb-free relaxor ferroelectric system (Bi1-xBax)(Fe1-xTix)O3(0.36 ≤ x ≤ 0.50)

    Science.gov (United States)

    Singh, Anar; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Pandey, Dhananjai

    2018-04-01

    We report here the relaxor ferroelectric (RFE) behaviour in a multiferroic solid solution system, (Bi1-xBax)(Fe1-xTix)O3, at a critical disorder level of xC ˜ 0.35 in BiFeO3 and 0.65 (i.e., 1-xC = 0.35) in BaTiO3 similar to the 1:2 ratio of Mg2+ and Nb5+ in the canonical RFE Pb(Mg1/3Nb2/3)O3. This Pb-free system, like canonical Pb-based RFEs, does not exhibit macroscopic symmetry breaking and shows only the signatures of ergodicity breaking at Vogel-Fulcher freezing temperature (TVF). The atomic displacement parameters (ADPs) of Fe3+/Ti4+ and O2-, obtained using high wave vector (Q) and high-resolution synchrotron x-ray diffraction data as a function of temperature, show anomalous diffuse peaks in the Curie range. It is shown that the diffuse peak in ADPs is due to softening of the vibrational frequencies of the B-O chain (B = Fe3+/Ti4+ and O = O2-) below the Burns temperature (TB) followed by hardening below the characteristic temperature (T'm), which corresponds to a peak in the dielectric permittivity (ɛ').

  10. 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...

  11. Correlation of atomic packing with the boson peak in amorphous alloys

    Energy Technology Data Exchange (ETDEWEB)

    Yang, W. M. [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China); Liu, H. S., E-mail: liuhaishun@126.com, E-mail: blshen@seu.edu.cn, E-mail: runweili@nimte.ac.cn, E-mail: jiangjz@zju.edu.cn; Zhao, Y. C. [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Liu, X. J. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Chen, G. X.; Man, Q. K.; Chang, C. T.; Li, R. W., E-mail: liuhaishun@126.com, E-mail: blshen@seu.edu.cn, E-mail: runweili@nimte.ac.cn, E-mail: jiangjz@zju.edu.cn [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Dun, C. C. [Department of Physics, Wake Forest University, Winston-Salem, North Carolina 27109 (United States); Shen, B. L., E-mail: liuhaishun@126.com, E-mail: blshen@seu.edu.cn, E-mail: runweili@nimte.ac.cn, E-mail: jiangjz@zju.edu.cn [School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China); Inoue, A. [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); and others

    2014-09-28

    Boson peaks (BP) have been observed from phonon specific heats in 10 studied amorphous alloys. Two Einstein-type vibration modes were proposed in this work and all data can be fitted well. By measuring and analyzing local atomic structures of studied amorphous alloys and 56 reported amorphous alloys, it is found that (a) the BP originates from local harmonic vibration modes associated with the lengths of short-range order (SRO) and medium-range order (MRO) in amorphous alloys, and (b) the atomic packing in amorphous alloys follows a universal scaling law, i.e., the ratios of SRO and MRO lengths to solvent atomic diameter are 3 and 7, respectively, which exact match with length ratios of BP vibration frequencies to Debye frequency for the studied amorphous alloys. This finding provides a new perspective for atomic packing in amorphous materials, and has significant implications for quantitative description of the local atomic orders and understanding the structure-property relationship.

  12. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

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

  13. Heralded Magnetism in Non-Hermitian Atomic Systems

    Directory of Open Access Journals (Sweden)

    Tony E. Lee

    2014-10-01

    Full Text Available Quantum phase transitions are usually studied in terms of Hermitian Hamiltonians. However, cold-atom experiments are intrinsically non-Hermitian because of spontaneous decay. Here, we show that non-Hermitian systems exhibit quantum phase transitions that are beyond the paradigm of Hermitian physics. We consider the non-Hermitian XY model, which can be implemented using three-level atoms with spontaneous decay. We exactly solve the model in one dimension and show that there is a quantum phase transition from short-range order to quasi-long-range order despite the absence of a continuous symmetry in the Hamiltonian. The ordered phase has a frustrated spin pattern. The critical exponent ν can be 1 or 1/2. Our results can be seen experimentally with trapped ions, cavity QED, and atoms in optical lattices.

  14. Short range charge/orbital ordering in La{sub 1-x}Sr{sub x}Mn{sub 1-z}B{sub z}O{sub 3} (B Cu,Zn) manganites

    Energy Technology Data Exchange (ETDEWEB)

    Popovic, Z V [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain); Cantarero, A [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain); Thijssen, W H A [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain); Paunovic, N [Centre for Solid State Physics and New Materials, Institute of Physics, PO Box 68, 11080 Belgrade/Zemun (Serbia and Montenegro); Dohcevic-Mitrovic, Z [Centre for Solid State Physics and New Materials, Institute of Physics, PO Box 68, 11080 Belgrade/Zemun (Serbia and Montenegro); Sapina, F [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain)

    2005-01-19

    We have measured the reflectivity spectra of La{sub 1-x}Sr{sub x}Mn{sub 1-z}B{sub z}O{sub 3} (B = Cu, Zn; 0.17 {<=} x {<=} 0.30; 0 {<=} z {<=} 0.10) manganites over wide frequency (100-4000 cm{sup -1}) and temperature (80-300 K) ranges. Besides the previously observed infrared active modes or mode pairs at about 160 cm{sup -1} (external mode), 350 cm{sup -1} (bond bending mode) and 590 cm{sup -1} (bond stretching mode), we have clearly observed two additional phonon modes at about 645 and 720 cm{sup -1} below the temperature T{sub 1} (T{sub 1}range charge/orbitally ordered domains. The temperature T{sub 1} of the phase transition is dependent on the doping concentration and for optimally doped samples we have found that T{sub 1} {approx}(0.93 {+-} 0.02) T{sub C}. Electrical resistivity and magnetization measurements versus temperature and magnetic field support the short range charge/orbital ordering scenario.

  15. Ubiquitous atom

    International Nuclear Information System (INIS)

    Spruch, G.M.; Spruch, L.

    1974-01-01

    The fundamentals of modern physics, including the basic physics and chemistry of the atom, elementary particles, cosmology, periodicity, and recent advances, are surveyed. The biology and chemistry of the life process is discussed to provide a background for considering the effects of atomic particles on living things. The uses of atomic power in space travel, merchant shipping, food preservation, desalination, and nuclear clocks are explored. (Pollut. Abstr.)

  16. Electron diffraction study of the sillenites Bi12SiO20, Bi25FeO39 and Bi25InO39: Evidence of short-range ordering of oxygen-vacancies in the trivalent sillenites

    Directory of Open Access Journals (Sweden)

    Craig A. Scurti

    2014-08-01

    Full Text Available We present an electron diffraction study of three sillenites, Bi12SiO20, Bi25FeO39, and Bi25InO39 synthesized using the solid-state method. We explore a hypothesis, inspired by optical studies in the literature, that suggests that trivalent sillenites have additional disorder not present in the tetravalent compounds. Electron diffraction patterns of Bi25FeO39 and Bi25InO39 show streaks that confirm deviations from the ideal sillenite structure. Multi-slice simulations of electron-diffraction patterns are presented for different perturbations to the sillenite structure - partial substitution of the M site by Bi3+, random and ordered oxygen-vacancies, and a frozen-phonon model. Although comparison of experimental data to simulations cannot be conclusive, we consider the streaks as evidence of short-range ordered oxygen-vacancies.

  17. Atomic physics

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

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

  18. Atomic energy

    International Nuclear Information System (INIS)

    Ramanna, R.

    1978-01-01

    Development of nuclear science in India, particularly the research and development work at the Bhabha Atomic Research Centre (BARC), Bombay, is described. Among the wide range of materials developed for specific functions under rigorous conditions are nuclear pure grade uranium, zirconium and beryllium, and conventional materials like aluminium, carbon steel and stainless steels. Radioisotopes are produced and used for tracer studies in various fields. Various types of nuclear gauges and nuclear instruments are produced. Radiations have been used to develop new high yielding groundnut mutants with large kernals. The sterile male technique for pest control and radiosterilization technique to process potatoes, onions and marine foods for storage are ready for exploitation. Processes and equipment have been developed for production of electrolytic hydrogen, electrothermal phosphorus and desalinated water. Indigenously manufactured components and materials are now being used for the nuclear energy programme. Indian nuclear power programme strategy is to build heavy water reactors and to utilise their byproduct plutonium and depleted uranium to feed fast breeder reactors which will produce more fissile material than burnt. Finally a special mention has been made of the manpower development programme of the BARC. BARC has established a training school in 1957 giving advanced training in physics, chemistry and various branches of engineering and metallurgy

  19. Secondary electron emission of thin carbon foils under the impact of hydrogen atoms, ions and molecular ions, under energies within the MeV range; Multiplicite des electrons secondaires emis par des cibles minces de carbone sous l'impact de projectiles H0, H2+, H3+ d'energie de l'ordre du MeV

    Energy Technology Data Exchange (ETDEWEB)

    Vidovic, Z

    1997-06-15

    This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H{sup 0}, H{sub 2}{sup +} and H{sub 3}{sup +} projectiles in the 0.25-2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. The phenomenological and theoretical descriptions, as well as a summary of the main theoretical models are the subject of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of a thin carbon foil traversed by an energetic projectile is described in the chapter two. In this chapter are also presented the method and algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with the emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H{sub 2}{sup +} and H{sub 3}{sup +} polyatomic ions. The results are interpreted in terms of collective effects in the interactions of these ions with solids. The role of the proximity of the protons, molecular ion fragments, upon the amplitude of these collective effects is evidenced from the study of the statistics of forward emission. These experiences allowed us to shed light on various aspects of atom and polyatomic ion inter-actions with solid surfaces. (author)

  20. Secondary electron emission of thin carbon foils under the impact of hydrogen atoms, ions and molecular ions, under energies within the MeV range; Multiplicite des electrons secondaires emis par des cibles minces de carbone sous l'impact de projectiles H0, H2+, H3+ d'energie de l'ordre du MeV

    Energy Technology Data Exchange (ETDEWEB)

    Vidovic, Z

    1997-06-15

    This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H{sup 0}, H{sub 2}{sup +} and H{sub 3}{sup +} projectiles in the 0.25-2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. The phenomenological and theoretical descriptions, as well as a summary of the main theoretical models are the subject of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of a thin carbon foil traversed by an energetic projectile is described in the chapter two. In this chapter are also presented the method and algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with the emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H{sub 2}{sup +} and H{sub 3}{sup +} polyatomic ions. The results are interpreted in terms of collective effects in the interactions of these ions with solids. The role of the proximity of the protons, molecular ion fragments, upon the amplitude of these collective effects is evidenced from the study of the statistics of forward emission. These experiences allowed us to shed light on various aspects of atom and polyatomic ion inter-actions with solid surfaces. (author)