WorldWideScience

Sample records for single particle wavefunctions

  1. Solving for the particle-number-projected HFB wavefunction

    International Nuclear Information System (INIS)

    Jia, L.Y.

    2015-01-01

    Recently we proposed a particle-number-conserving theory for nuclear pairing (Jia, 2013) [19] through the generalized density matrix formalism. The relevant equations were solved for the case when each single-particle level has a distinct set of quantum numbers and could only pair with its time-reversed partner (BCS-type Hamiltonian). In this work we consider the more general situation when several single-particle levels could have the same set of quantum numbers and pairing among these levels is allowed (HFB-type Hamiltonian). The pair condensate wavefunction (the HFB wavefunction projected onto good particle number) is determined by the equations of motion for density matrix operators instead of the variation principle. The theory is tested in the simple two-level model with factorizable pairing interactions, and semi-realistic models with the zero-range delta interaction and the realistic Bonn-CD interaction

  2. Simultaneous projection of particle-number and angular momentum BCS wave-functions in the rare-earth nuclei

    International Nuclear Information System (INIS)

    Oudih, M.R.; Fellah, M.; Allal, N.H.; Benhamouda, N.

    1999-01-01

    It is well established that the BCS wave-functions are neither eigen-functions of the particle-number operator nor of the angular momentum operator. In a previous paper, we have developed a particle-number projection before variation method (of FBCS type). This discrete projection method is based on the SBCS wave-function. The aim of the present contribution is to perform a subsequent angular momentum projection by means of the Peierls-Yoccoz method. The general expression of the system energy, after the double projection, is established in the case of axial symmetry. For practical calculations, an approximation method is introduced. It leads to a semi-classical form of the rotational energy. The rotational spectra have been evaluated numerically for some even-even rare-earth nuclei. The single-particle energies and eigen-states are those of a deformed Woods-Saxon mean field. The obtained results are compared on one hand, to the experimental data, and on the other hand, to the theoretical spectra evaluated by a particle-number projection after variation method (of PBCS type). For all studied nuclei, the spectra determined by the FBCS method reproduce the experimental data better than those of the PBCS method. However, even if the present method is satisfying for low angular momenta, the agreement with the experimental data is lesser for I ≥ 8, particularly for the lighter studied nuclei. (authors)

  3. Simultaneous projection of particle-number and angular momentum BCS wave-functions in the rare-earth nuclei

    International Nuclear Information System (INIS)

    Oudih, M.R.; Benhamouda, N.; Fellah, M.; Allal, N.H.

    2000-01-01

    A method of simultaneous particle-number and angular-momentum projection of the BCS wave-function is presented. The particle number projection method is of FBCS type. In the frame work of the adiabatic approximation, the rotational energies of the axially symmetric even-even nuclei are established and numerically calculated for the rare-earth region. (author)

  4. Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

    Energy Technology Data Exchange (ETDEWEB)

    Pastorczak, Ewa; Prlj, Antonio; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch [Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Gonthier, Jérôme F. [Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States)

    2015-12-14

    We introduce an intramolecular energy decomposition scheme for analyzing non-covalent interactions within molecules in the spirit of symmetry-adapted perturbation theory (SAPT). The proposed intra-SAPT approach is based upon the Chemical Hamiltonian of Mayer [Int. J. Quantum Chem. 23(2), 341–363 (1983)] and the recently introduced zeroth-order wavefunction [J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140(15), 154107 (2014)]. The scheme decomposes the interaction energy between weakly bound fragments located within the same molecule into physically meaningful components, i.e., electrostatic-exchange, induction, and dispersion. Here, we discuss the key steps of the approach and demonstrate that a single-determinant wavefunction can already deliver a detailed and insightful description of a wide range of intramolecular non-covalent phenomena such as hydrogen bonds, dihydrogen contacts, and π − π stacking interactions. Intra-SAPT is also used to shed the light on competing intra- and intermolecular interactions.

  5. The exact wavefunction factorization of a vibronic coupling system

    International Nuclear Information System (INIS)

    Chiang, Ying-Chih; Klaiman, Shachar; Otto, Frank; Cederbaum, Lorenz S.

    2014-01-01

    We investigate the exact wavefunction as a single product of electronic and nuclear wavefunction for a model conical intersection system. Exact factorized spiky potentials and nodeless nuclear wavefunctions are found. The exact factorized potential preserves the symmetry breaking effect when the coupling mode is present. Additionally nodeless wavefunctions are found to be closely related to the adiabatic nuclear eigenfunctions. This phenomenon holds even for the regime where the non-adiabatic coupling is relevant, and sheds light on the relation between the exact wavefunction factorization and the adiabatic approximation

  6. Horizon wave-function and the quantum cosmic censorship

    OpenAIRE

    Casadio, RobertoDipartimento di Fisica e Astronomia, Alma Mater Università di Bologna, via Irnerio 46, Bologna, 40126, Italy; Micu, Octavian(Institute of Space Science, Bucharest, P.O. Box MG-23, Bucharest-Magurele, RO-077125, Romania); Stojkovic, Dejan(HEPCOS, Department of Physics, SUNY at Buffalo, Buffalo, NY, 14260-1500, United States)

    2015-01-01

    We investigate the Cosmic Censorship Conjecture by means of the horizon wave-function (HWF) formalism. We consider a charged massive particle whose quantum mechanical state is represented by a spherically symmetric Gaussian wave-function, and restrict our attention to the superxtremal case (with charge-to-mass ratio $\\alpha>1$), which is the prototype of a naked singularity in the classical theory. We find that one can still obtain a normalisable HWF for $\\alpha^2 2$, and the uncertainty in t...

  7. Correlated random walks induced by dynamical wavefunction collapse

    Science.gov (United States)

    Bedingham, Daniel

    2015-03-01

    Wavefunction collapse models modify Schrödinger's equation so that it describes the collapse of a superposition of macroscopically distinguishable states as a genuine physical process [PRA 42, 78 (1990)]. This provides a basis for the resolution of the quantum measurement problem. An additional generic consequence of the collapse mechanism is that it causes particles to exhibit a tiny random diffusive motion. Furthermore, the diffusions of two sufficiently nearby particles are positively correlated -- it is more likely that the particles diffuse in the same direction than would happen if they behaved independently [PRA 89, 032713 (2014)]. The use of this effect is proposed as an experimental test of wave function collapse models in which pairs of nanoparticles are simultaneously released from nearby traps and allowed a brief period of free fall. The random displacements of the particles are then measured. The experiment must be carried out at sufficiently low temperature and pressure for the collapse effects to dominate over the ambient environmental noise. It is argued that these constraints can be satisfied by current technologies for a large class of viable wavefunction collapse models. Work supported by the Templeton World Charity Foundation.

  8. Atom localization and center-of-mass wave-function determination via multiple simultaneous quadrature measurements

    International Nuclear Information System (INIS)

    Evers, Joerg; Qamar, Shahid; Zubairy, M. Suhail

    2007-01-01

    We discuss localization and center-of-mass wave-function measurement of a quantum particle using multiple simultaneous dispersive interactions of the particle with different standing-wave fields. In particular, we consider objects with an internal structure consisting of a single ground state and several excited states. The transitions between ground and the corresponding excited states are coupled to the light fields in the dispersive limit, thus giving rise to a phase shift of the light field during the interaction. We show that multiple simultaneous measurements allow both an increase in the measurement or localization precision in a single direction and the performance of multidimensional measurements or localization. Further, we show that multiple measurements may relax the experimental requirements for each individual measurement

  9. Hadronic wavefunctions in light-cone quantization

    International Nuclear Information System (INIS)

    Hyer, T.

    1994-05-01

    The analysis of light-cone wavefunctions seems the most promising theoretical approach to a detailed understanding of the structure of relativistic bound states, particularly hadrons. However, there are numerous complications in this approach. Most importantly, the light-cone approach sacrifices manifest rotational invariance in exchange for the elimination of negative-energy states. The requirement of rotational invariance of the full theory places important constraints on proposed light-cone wavefunctions, whether they are modelled or extracted from some numerical procedure. A formulation of the consequences of the hidden rotational symmetry has been sought for some time; it is presented in Chapter 2. In lattice gauge theory or heavy-quark effective theory, much of the focus is on the extraction of numerical values of operators which are related to the hadronic wavefunction. These operators are to some extent interdependent, with relations induced by fundamental constraints on the underlying wavefunction. The consequences of the requirement of unitarity are explored in Chapter 3, and are found to have startling phenomenological relevance. To test model light-cone wavefunctions, experimental predictions must be made. The reliability of perturbative QCD as a tool for making such predictions has been questioned. In Chapter 4, the author presents a computation of the rates for nucleon-antinucleon annihilation, improving the reliability of the perturbative computation by taking into account the Sudakov suppression of exclusive processes at large transverse impact parameter. In Chapter 5, he develops the analysis of semiexclusive production. This work focuses on processes in which a single isolated meson is produced perturbatively and recoils against a wide hadronizing system. At energies above about 10 GeV, semiexclusive processes are shown to be the most sensitive experimental probes of hadronic structure

  10. Single-Particle Quantum Dynamics in a Magnetic Lattice

    Energy Technology Data Exchange (ETDEWEB)

    Venturini, Marco

    2001-02-01

    We study the quantum dynamics of a spinless charged-particle propagating through a magnetic lattice in a transport line or storage ring. Starting from the Klein-Gordon equation and by applying the paraxial approximation, we derive a Schroedinger-like equation for the betatron motion. A suitable unitary transformation reduces the problem to that of a simple harmonic oscillator. As a result we are able to find an explicit expression for the particle wavefunction.

  11. Accurate and simple wavefunctions for the helium isoelectronic sequence with correct cusp conditions

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, K V [Departamento de Fisica, Universidad Nacional del Sur and Consejo Nacional de Investigaciones CientIficas y Tecnicas, 8000 BahIa Blanca, Buenos Aires (Argentina); Gasaneo, G [Departamento de Fisica, Universidad Nacional del Sur and Consejo Nacional de Investigaciones CientIficas y Tecnicas, 8000 BahIa Blanca, Buenos Aires (Argentina); Mitnik, D M [Instituto de AstronomIa y Fisica del Espacio, and Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, C C 67, Suc. 28 (C1428EGA) Buenos Aires (Argentina)

    2007-10-14

    Simple and accurate wavefunctions for the He atom and He-like isoelectronic ions are presented. These functions-the product of hydrogenic one-electron solutions and a fully correlated part-satisfy all the coalescence cusp conditions at the Coulomb singularities. Functions with different numbers of parameters and different degrees of accuracy are discussed. Simple analytic expressions for the wavefunction and the energy, valid for a wide range of nuclear charges, are presented. The wavefunctions are tested, in the case of helium, through the calculations of various cross sections which probe different regions of the configuration space, mostly those close to the two-particle coalescence points.

  12. A simple parameter-free wavefunction for the ground state of two-electron atoms

    International Nuclear Information System (INIS)

    Ancarani, L U; Rodriguez, K V; Gasaneo, G

    2007-01-01

    We propose a simple and pedagogical wavefunction for the ground state of two-electron atoms which (i) is parameter free (ii) satisfies all two-particle cusp conditions (iii) yields reasonable ground-state energies, including the prediction of a bound state for H - . The mean energy, and other mean physical quantities, is evaluated analytically. The simplicity of the result can be useful as an easy-to-use wavefunction when testing collision models

  13. QCD Phenomenology and Light-Front Wavefunctions

    International Nuclear Information System (INIS)

    Brodsky, Stanley J.

    2001-01-01

    A natural calculus for describing the bound-state structure of relativistic composite systems in quantum field theory is the light-front Fock expansion which encodes the properties of a hadrons in terms of a set of frame-independent n-particle wavefunctions. Light-front quantization in the doubly-transverse light-cone gauge has a number of remarkable advantages, including explicit unitarity, a physical Fock expansion, the absence of ghost degrees of freedom, and the decoupling properties needed to prove factorization theorems in high momentum transfer inclusive and exclusive reactions. A number of applications are discussed in these lectures, including semileptonic B decays, two-photon exclusive reactions, diffractive dissociation into jets, and deeply virtual Compton scattering. The relation of the intrinsic sea to the light-front wavefunctions is discussed. Light-front quantization can also be used in the Hamiltonian form to construct an event generator for high energy physics reactions at the amplitude level. The light-cone partition function, summed over exponentially weighted light-cone energies, has simple boost properties which may be useful for studies in heavy ion collisions. I also review recent work which shows that the structure functions measured in deep inelastic lepton scattering are affected by final-state rescattering, thus modifying their connection to light-front probability distributions. In particular, the shadowing of nuclear structure functions is due to destructive interference effects from leading-twist diffraction of the virtual photon, physics not included in the nuclear light-cone wavefunctions

  14. Horizon wave-function and the quantum cosmic censorship

    Directory of Open Access Journals (Sweden)

    Roberto Casadio

    2015-07-01

    Full Text Available We investigate the Cosmic Censorship Conjecture by means of the horizon wave-function (HWF formalism. We consider a charged massive particle whose quantum mechanical state is represented by a spherically symmetric Gaussian wave-function, and restrict our attention to the superextremal case (with charge-to-mass ratio α>1, which is the prototype of a naked singularity in the classical theory. We find that one can still obtain a normalisable HWF for α22, and the uncertainty in the location of the horizon blows up at α2=2, signalling that such an object is no more well-defined. This perhaps implies that a quantum Cosmic Censorship might be conjectured by stating that no black holes with charge-to-mass ratio greater than a critical value (of the order of 2 can exist.

  15. Wave-function functionals for the density

    International Nuclear Information System (INIS)

    Slamet, Marlina; Pan Xiaoyin; Sahni, Viraht

    2011-01-01

    We extend the idea of the constrained-search variational method for the construction of wave-function functionals ψ[χ] of functions χ. The search is constrained to those functions χ such that ψ[χ] reproduces the density ρ(r) while simultaneously leading to an upper bound to the energy. The functionals are thereby normalized and automatically satisfy the electron-nucleus coalescence condition. The functionals ψ[χ] are also constructed to satisfy the electron-electron coalescence condition. The method is applied to the ground state of the helium atom to construct functionals ψ[χ] that reproduce the density as given by the Kinoshita correlated wave function. The expectation of single-particle operators W=Σ i r i n , n=-2,-1,1,2, W=Σ i δ(r i ) are exact, as must be the case. The expectations of the kinetic energy operator W=-(1/2)Σ i ∇ i 2 , the two-particle operators W=Σ n u n , n=-2,-1,1,2, where u=|r i -r j |, and the energy are accurate. We note that the construction of such functionals ψ[χ] is an application of the Levy-Lieb constrained-search definition of density functional theory. It is thereby possible to rigorously determine which functional ψ[χ] is closer to the true wave function.

  16. 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.

  17. Emergent quantum mechanics without wavefunctions

    Science.gov (United States)

    Mesa Pascasio, J.; Fussy, S.; Schwabl, H.; Grössing, G.

    2016-03-01

    We present our model of an Emergent Quantum Mechanics which can be characterized by “realism without pre-determination”. This is illustrated by our analytic description and corresponding computer simulations of Bohmian-like “surreal” trajectories, which are obtained classically, i.e. without the use of any quantum mechanical tool such as wavefunctions. However, these trajectories do not necessarily represent ontological paths of particles but rather mappings of the probability density flux in a hydrodynamical sense. Modelling emergent quantum mechanics in a high-low intesity double slit scenario gives rise to the “quantum sweeper effect” with a characteristic intensity pattern. This phenomenon should be experimentally testable via weak measurement techniques.

  18. Angular momentum projected wave-functions

    International Nuclear Information System (INIS)

    Bengtsson, R.; Haakansson, H.B.

    1978-01-01

    Angular momentum projection has become a vital link between intrinsic model-wavefunctions and the physical states one intends to describe. We discuss in general terms some aspects of angular momentum projection and present results from projection on e.g. cranking wavefunctions. Mass densities and spectroscopic factors are also presented for some cases. (author)

  19. Fully exponentially correlated wavefunctions for small atoms

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Frank E. [Department of Physics, University of Utah, Salt Lake City, UT 84112 and Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, FL 32611 (United States)

    2015-01-22

    Fully exponentially correlated atomic wavefunctions are constructed from exponentials in all the interparticle coordinates, in contrast to correlated wavefunctions of the Hylleraas form, in which only the electron-nuclear distances occur exponentially, with electron-electron distances entering only as integer powers. The full exponential correlation causes many-configuration wavefunctions to converge with expansion length more rapidly than either orbital formulations or correlated wavefunctions of the Hylleraas type. The present contribution surveys the effectiveness of fully exponentially correlated functions for the three-body system (the He isoelectronic series) and reports their application to a four-body system (the Li atom)

  20. Emergent quantum mechanics without wavefunctions

    International Nuclear Information System (INIS)

    Pascasio, J Mesa; Fussy, S; Schwabl, H; Grössing, G

    2016-01-01

    We present our model of an Emergent Quantum Mechanics which can be characterized by “realism without pre-determination”. This is illustrated by our analytic description and corresponding computer simulations of Bohmian-like “surreal” trajectories, which are obtained classically, i.e. without the use of any quantum mechanical tool such as wavefunctions. However, these trajectories do not necessarily represent ontological paths of particles but rather mappings of the probability density flux in a hydrodynamical sense. Modelling emergent quantum mechanics in a high-low intesity double slit scenario gives rise to the “quantum sweeper effect” with a characteristic intensity pattern. This phenomenon should be experimentally testable via weak measurement techniques. (paper)

  1. Theory and computation of spheroidal wavefunctions

    International Nuclear Information System (INIS)

    Falloon, P E; Abbott, P C; Wang, J B

    2003-01-01

    In this paper we report on a package, written in the Mathematica computer algebra system, which has been developed to compute the spheroidal wavefunctions of Meixner and Schaefke (1954 Mathieusche Funktionen und Sphaeroidfunktionen) and is available online (physics.uwa.edu.au/~falloon/spheroidal/spheroidal.html). This package represents a substantial contribution to the existing software, since it computes the spheroidal wavefunctions to arbitrary precision for general complex parameters μ, ν, γ and argument z; existing software can only handle integer μ, ν and does not give arbitrary precision. The package also incorporates various special cases and computes analytic power series and asymptotic expansions in the parameter γ. The spheroidal wavefunctions of Flammer (1957 Spheroidal Wave functions) are included as a special case of Meixner's more general functions. This paper presents a concise review of the general theory of spheroidal wavefunctions and a description of the formulae and algorithms used in their computation, and gives high precision numerical examples

  2. Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps

    Energy Technology Data Exchange (ETDEWEB)

    Plasser, Felix, E-mail: felix.plasser@univie.ac.at; González, Leticia, E-mail: leticia.gonzalez@univie.ac.at [Institute for Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währingerstr. 17, 1090 Vienna (Austria)

    2016-07-14

    A simple and powerful method for comparing many-electron wavefunctions constructed at different levels of theory is presented. By using wavefunction overlaps, it is possible to analyze the effects of varying wavefunction models, molecular orbitals, and one-electron basis sets. The computation of wavefunction overlaps eliminates the inherent ambiguity connected to more rudimentary wavefunction analysis protocols, such as visualization of orbitals or comparing selected physical observables. Instead, wavefunction overlaps allow processing the many-electron wavefunctions in their full inherent complexity. The presented method is particularly effective for excited state calculations as it allows for automatic monitoring of changes in the ordering of the excited states. A numerical demonstration based on multireference computations of two test systems, the selenoacrolein molecule and an iridium complex, is presented.

  3. How quantum are non-negative wavefunctions?

    International Nuclear Information System (INIS)

    Hastings, M. B.

    2016-01-01

    We consider wavefunctions which are non-negative in some tensor product basis. We study what possible teleportation can occur in such wavefunctions, giving a complete answer in some cases (when one system is a qubit) and partial answers elsewhere. We use this to show that a one-dimensional wavefunction which is non-negative and has zero correlation length can be written in a “coherent Gibbs state” form, as explained later. We conjecture that such holds in higher dimensions. Additionally, some results are provided on possible teleportation in general wavefunctions, explaining how Schmidt coefficients before measurement limit the possible Schmidt coefficients after measurement, and on the absence of a “generalized area law” [D. Aharonov et al., in Proceedings of Foundations of Computer Science (FOCS) (IEEE, 2014), p. 246; e-print arXiv.org:1410.0951] even for Hamiltonians with no sign problem. One of the motivations for this work is an attempt to prove a conjecture about ground state wavefunctions which have an “intrinsic” sign problem that cannot be removed by any quantum circuit. We show a weaker version of this, showing that the sign problem is intrinsic for commuting Hamiltonians in the same phase as the double semion model under the technical assumption that TQO-2 holds [S. Bravyi et al., J. Math. Phys. 51, 093512 (2010)

  4. How quantum are non-negative wavefunctions?

    Energy Technology Data Exchange (ETDEWEB)

    Hastings, M. B. [Station Q, Microsoft Research, Santa Barbara, California 93106-6105, USA and Quantum Architectures and Computation Group, Microsoft Research, Redmond, Washington 98052 (United States)

    2016-01-15

    We consider wavefunctions which are non-negative in some tensor product basis. We study what possible teleportation can occur in such wavefunctions, giving a complete answer in some cases (when one system is a qubit) and partial answers elsewhere. We use this to show that a one-dimensional wavefunction which is non-negative and has zero correlation length can be written in a “coherent Gibbs state” form, as explained later. We conjecture that such holds in higher dimensions. Additionally, some results are provided on possible teleportation in general wavefunctions, explaining how Schmidt coefficients before measurement limit the possible Schmidt coefficients after measurement, and on the absence of a “generalized area law” [D. Aharonov et al., in Proceedings of Foundations of Computer Science (FOCS) (IEEE, 2014), p. 246; e-print arXiv.org:1410.0951] even for Hamiltonians with no sign problem. One of the motivations for this work is an attempt to prove a conjecture about ground state wavefunctions which have an “intrinsic” sign problem that cannot be removed by any quantum circuit. We show a weaker version of this, showing that the sign problem is intrinsic for commuting Hamiltonians in the same phase as the double semion model under the technical assumption that TQO-2 holds [S. Bravyi et al., J. Math. Phys. 51, 093512 (2010)].

  5. An exponential multireference wave-function Ansatz

    International Nuclear Information System (INIS)

    Hanrath, Michael

    2005-01-01

    An exponential multireference wave-function Ansatz is formulated. In accordance with the state universal coupled-cluster Ansatz of Jeziorski and Monkhorst [Phys. Rev. A 24, 1668 (1981)] the approach uses a reference specific cluster operator. In order to achieve state selectiveness the excitation- and reference-related amplitude indexing of the state universal Ansatz is replaced by an indexing which is based on excited determinants. There is no reference determinant playing a particular role. The approach is size consistent, coincides with traditional single-reference coupled cluster if applied to a single-reference, and converges to full configuration interaction with an increasing cluster operator excitation level. Initial applications on BeH 2 , CH 2 , Li 2 , and nH 2 are reported

  6. Massless quark wavefunction in the deformed bag

    International Nuclear Information System (INIS)

    Min, D.P.; Park, B.Y.; Koh, Y.S.

    1984-01-01

    The quark wavefunctions inside the deformed bag are obtained using a modified linear boundary condition stemming from the MIT bag Lagrangian with an additional term. We propose an exact method to obtain the quark wavefunction even for a spheroidally deformed bag. (Author)

  7. Comparative studies of atomic independent-particle potentials

    International Nuclear Information System (INIS)

    Talman, J.D.; Ganas, P.S.; Green, A.E.S.

    1979-01-01

    A number of atomic properties are compared in various independent-particle models for atoms. The models studied are the Hartree-Fock method, a variationally optimized potential model, a parametrized analytic form of the same model, parametrized analytic models constructed to fit atomic energy levels, the so-called Hartree-Fock-Slater model, and the Xα model. The physical properties compared are single-particle energy levels, total energies, and dipole polarizabilities. The extent to which the virial theorem is satisfied in the different models is also considered. The atoms Be, Ne, Ar, Kr, and Xe and ions O v and Al iv hav been compared. The results show that the experimental properties can be well represented by several of the independent-particle models. Since it has been shown that the optimized potential models yield wavefunctions that are almost the same as Hartree-Fock wavefunctions, they provide a natural solution to the problem of extending the Hartree-Fock method to excited states

  8. Many-body calculations with deuteron based single-particle bases and their associated natural orbits

    Science.gov (United States)

    Puddu, G.

    2018-06-01

    We use the recently introduced single-particle states obtained from localized deuteron wave-functions as a basis for nuclear many-body calculations. We show that energies can be substantially lowered if the natural orbits (NOs) obtained from this basis are used. We use this modified basis for {}10{{B}}, {}16{{O}} and {}24{{Mg}} employing the bare NNLOopt nucleon–nucleon interaction. The lowering of the energies increases with the mass. Although in principle NOs require a full scale preliminary many-body calculation, we found that an approximate preliminary many-body calculation, with a marginal increase in the computational cost, is sufficient. The use of natural orbits based on an harmonic oscillator basis leads to a much smaller lowering of the energies for a comparable computational cost.

  9. Angstrom-Resolution Magnetic Resonance Imaging of Single Molecules via Wave-Function Fingerprints of Nuclear Spins

    Science.gov (United States)

    Ma, Wen-Long; Liu, Ren-Bao

    2016-08-01

    Single-molecule sensitivity of nuclear magnetic resonance (NMR) and angstrom resolution of magnetic resonance imaging (MRI) are the highest challenges in magnetic microscopy. Recent development in dynamical-decoupling- (DD) enhanced diamond quantum sensing has enabled single-nucleus NMR and nanoscale NMR. Similar to conventional NMR and MRI, current DD-based quantum sensing utilizes the "frequency fingerprints" of target nuclear spins. The frequency fingerprints by their nature cannot resolve different nuclear spins that have the same noise frequency or differentiate different types of correlations in nuclear-spin clusters, which limit the resolution of single-molecule MRI. Here we show that this limitation can be overcome by using "wave-function fingerprints" of target nuclear spins, which is much more sensitive than the frequency fingerprints to the weak hyperfine interaction between the targets and a sensor under resonant DD control. We demonstrate a scheme of angstrom-resolution MRI that is capable of counting and individually localizing single nuclear spins of the same frequency and characterizing the correlations in nuclear-spin clusters. A nitrogen-vacancy-center spin sensor near a diamond surface, provided that the coherence time is improved by surface engineering in the near future, may be employed to determine with angstrom resolution the positions and conformation of single molecules that are isotope labeled. The scheme in this work offers an approach to breaking the resolution limit set by the "frequency gradients" in conventional MRI and to reaching the angstrom-scale resolution.

  10. Tensor Network Wavefunctions for Topological Phases

    Science.gov (United States)

    Ware, Brayden Alexander

    The combination of quantum effects and interactions in quantum many-body systems can result in exotic phases with fundamentally entangled ground state wavefunctions--topological phases. Topological phases come in two types, both of which will be studied in this thesis. In topologically ordered phases, the pattern of entanglement in the ground state wavefunction encodes the statistics of exotic emergent excitations, a universal indicator of a phase that is robust to all types of perturbations. In symmetry protected topological phases, the entanglement instead encodes a universal response of the system to symmetry defects, an indicator that is robust only to perturbations respecting the protecting symmetry. Finding and creating these phases in physical systems is a motivating challenge that tests all aspects--analytical, numerical, and experimental--of our understanding of the quantum many-body problem. Nearly three decades ago, the creation of simple ansatz wavefunctions--such as the Laughlin fractional quantum hall state, the AKLT state, and the resonating valence bond state--spurred analytical understanding of both the role of entanglement in topological physics and physical mechanisms by which it can arise. However, quantitative understanding of the relevant phase diagrams is still challenging. For this purpose, tensor networks provide a toolbox for systematically improving wavefunction ansatz while still capturing the relevant entanglement properties. In this thesis, we use the tools of entanglement and tensor networks to analyze ansatz states for several proposed new phases. In the first part, we study a featureless phase of bosons on the honeycomb lattice and argue that this phase can be topologically protected under any one of several distinct subsets of the crystalline lattice symmetries. We discuss methods of detecting such phases with entanglement and without. In the second part, we consider the problem of constructing fixed-point wavefunctions for

  11. Wavefunction effects in inner shell ionization of light atoms by protons

    International Nuclear Information System (INIS)

    Aashamar, K.; Amundsen, P.A.

    An efficient computer code for calculating the impact parameter distribution of atomic ionization probabilities caused by charged particle impact, has been developed. The programme is based on the semiclassical approximation, and it allows the use of an arbitrary atomic central potential for deriving the one-electron orbitals that form the basis for the description of the atomic states. Extensive calculations are reported for proton induced K-shell ionization in carbon and neon, covering energies in the range 0.1-10 MeV. Some calculations on proton-argon L-shell ionization are also reported. Comparison of the results obtained using (screened) hydrogenic potentials and the recently reported energy- optimized effective atomic central potentials, respectively demonstrates that wavefunction effects are generally important for inner-shell ionization of light atoms. The agreement between theory and experiment in the K-shell case is improved for fast collisions upon using better wavefunctions. (Auth.)

  12. Wavefunctions on magnetized branes in the conifold

    International Nuclear Information System (INIS)

    Abe, Hiroyuki; Oikawa, Akane; Otsuka, Hajime

    2016-01-01

    We study wavefunctions on D7-branes with magnetic fluxes in the conifold. Since some supersymmetric embeddings of D-branes on the AdS_5×T"1","1 geometry are known, we consider one of the embeddings, especially the spacetime filling D7-branes in which (a part of) the standard model is expected to be realized. The explicit form of induced metric on the D7-branes allows us to solve the Laplace and Dirac equations to evaluate matter wavefunctions in extra dimensions analytically. We find that the zero-mode wavefunctions can be localized depending on the configuration of magnetic fluxes on D7-branes, and show some phenomenological aspects.

  13. Single-photon double ionization: renormalized-natural-orbital theory versus multi-configurational Hartree–Fock

    International Nuclear Information System (INIS)

    Brics, M; Rapp, J; Bauer, D

    2017-01-01

    The N -particle wavefunction has too many dimensions for a direct time propagation of a many-body system according to the time-dependent Schrödinger equation (TDSE). On the other hand, time-dependent density functional theory (TDDFT) tells us that the single-particle density is, in principle, sufficient. However, a practicable equation of motion for the accurate time evolution of the single-particle density is unknown. It is thus an obvious idea to propagate a quantity which is not as reduced as the single-particle density but less dimensional than the N -body wavefunction. Recently, we have introduced time-dependent renormalized-natural-orbital theory (TDRNOT). TDRNOT is based on the propagation of the eigenfunctions of the one-body reduced density matrix, the so-called natural orbitals. In this paper we demonstrate how TDRNOT is related to the multi-configurational time-dependent Hartree–Fock (MCTDHF) approach. We also compare the performance of MCTDHF and TDRNOT versus the TDSE for single-photon double ionization (SPDI) of a 1D helium model atom. SPDI is one of the effects where TDDFT does not work in practice, especially if one is interested in correlated photoelectron spectra, for which no explicit density functional is known. (paper)

  14. Wavefunctions for topological quantum registers

    International Nuclear Information System (INIS)

    Ardonne, E.; Schoutens, K.

    2007-01-01

    We present explicit wavefunctions for quasi-hole excitations over a variety of non-abelian quantum Hall states: the Read-Rezayi states with k ≥ 3 clustering properties and a paired spin-singlet quantum Hall state. Quasi-holes over these states constitute a topological quantum register, which can be addressed by braiding quasi-holes. We obtain the braid properties by direct inspection of the quasi-hole wavefunctions. We establish that the braid properties for the paired spin-singlet state are those of 'Fibonacci anyons', and thus suitable for universal quantum computation. Our derivations in this paper rely on explicit computations in the parafermionic conformal field theories that underly these particular quantum Hall states

  15. Atomic wavefunctions probed through strong-field light-matter interaction

    Energy Technology Data Exchange (ETDEWEB)

    Mairesse, Y; Villeneuve, D M; Corkum, P B; Dudovich, N [Natl Res Council Canada, Ottawa, ON K1A 0R6 (Canada); Shafir, D; Dudovich, N [Weizmann Inst Sci, Dept Phys Complex Syst, IL-76100 Rehovot, (Israel); Mairesse, Y [Univ Bordeaux 1, CELIA, CNRS, UMR 5107, CEA, F-33405 Talence (France)

    2009-07-01

    Strong-field light-matter interactions can encode the spatial properties of the electronic wavefunctions that contribute to the process. In particular, the broadband harmonic spectra, measured for a series of molecular alignments, can be used to create a tomographic reconstruction of molecular orbitals. Here, we present an extension of the tomography approach to systems that cannot be naturally aligned. We demonstrate this ability by probing the two-dimensional properties of atomic wavefunctions. By manipulating an electron-ion re-collision process, we are able to resolve the symmetry of the atomic wavefunction with high contrast. (authors)

  16. Single particle detecting telescope system

    International Nuclear Information System (INIS)

    Yamamoto, I.; Tomiyama, T.; Iga, Y.; Komatsubara, T.; Kanada, M.; Yamashita, Y.; Wada, T.; Furukawa, S.

    1981-01-01

    We constructed the single particle detecting telescope system for detecting a fractionally charged particle. The telescope consists of position detecting counters, wall-less multi-cell chambers, single detecting circuits and microcomputer system as data I/0 processor. Especially, a frequency of double particle is compared the case of the single particle detecting with the case of an ordinary measurement

  17. De Broglie's Wavefunction and Wave-Particle Dualism

    International Nuclear Information System (INIS)

    Leydolt, Hans J.

    2005-01-01

    A different approach to wave mechanics is presented in accordance with de Broglie's original hypothesis applying the case of photons to all material particles. It derives propagating matter waves conceptually from a theory of evolution, and not by the formal setting of eigenvalue equations. The quality of explanation is at issue, and not the mere description of phenomena. A monoenergetic particle transport along two directions is described by a partial differential equation and by a random walk model. The dual description is applied to the particle picture and the wave picture; it leads with identical initial values to identical causal and timelike solutions in either picture. The partial differential equations are a Telegrapher equation in 1-d space and its analytic continuation, a modified Klein Gordon equation; the solutions represent a density distribution and an amplitude profile, respectively. However, only the corresponding random walk models - equivalent to Feynman's integral over all paths - derive the solutions as path-end distributions with the additional information about the flight direction. This allows following up momentum dissipation along two directions by means of two particle beams and their profiles. Thereby the total number of particles is divided up onto the two beams according to linear or squared fractions depending on the beam configuration putting up a 1-d or a 2-d space. This aspect escapes conventional descriptions but serves to describe the transport in the particle or in the wave picture in dependence on the knowledge/ignorance of the particle's flight direction

  18. Simple functional-differential equations for the bound-state wave-function components

    International Nuclear Information System (INIS)

    Kamuntavicius, G.P.

    1986-01-01

    The author presents a new method of a direct derivation of differential equations for the wave-function components of identical-particles systems. The method generates in a simple manner all the possible variants of these equations. In some cases they are the differential equations of Faddeev or Yakubovskii. It is shown that the case of the bound states allows to formulate very simple equations for the components which are equivalent to the Schroedinger equation for the complete wave function. The components with a minimal antisymmetry are defined and the corresponding equations are derived. (Auth.)

  19. Late-time structure of the Bunch-Davies FRW wavefunction

    Science.gov (United States)

    Konstantinidis, George; Mahajan, Raghu; Shaghoulian, Edgar

    2016-10-01

    In this short note we organize a perturbation theory for the Bunch-Davies wavefunction in flat, accelerating cosmologies. The calculational technique avoids the in-in formalism and instead uses an analytic continuation from Euclidean signature. We will consider both massless and conformally coupled self-interacting scalars. These calculations explicitly illustrate two facts. The first is that IR divergences get sharper as the acceleration slows. The second is that UV-divergent contact terms in the Euclidean computation can contribute to the absolute value of the wavefunction in Lorentzian signature. Here UV divergent refers to terms involving inverse powers of the radial cutoff in the Euclidean computation. In Lorentzian signature such terms encode physical time dependence of the wavefunction.

  20. Late-time structure of the Bunch-Davies de Sitter wavefunction

    Energy Technology Data Exchange (ETDEWEB)

    Anninos, Dionysios [Stanford Institute of Theoretical Physics, Stanford University, Stanford (United States); Anous, Tarek [Center for Theoretical Physics, Massachusetts Institute of Technology, Cambridge (United States); Freedman, Daniel Z. [Stanford Institute of Theoretical Physics, Stanford University, Stanford (United States); Center for Theoretical Physics, Massachusetts Institute of Technology, Cambridge (United States); Department of Mathematics, Massachusetts Institute of Technology, Cambridge (United States); Konstantinidis, George [Stanford Institute of Theoretical Physics, Stanford University, Stanford (United States)

    2015-11-30

    We examine the late time behavior of the Bunch-Davies wavefunction for interacting light fields in a de Sitter background. We use perturbative techniques developed in the framework of AdS/CFT, and analytically continue to compute tree and loop level contributions to the Bunch-Davies wavefunction. We consider self-interacting scalars of general mass, but focus especially on the massless and conformally coupled cases. We show that certain contributions grow logarithmically in conformal time both at tree and loop level. We also consider gauge fields and gravitons. The four-dimensional Fefferman-Graham expansion of classical asymptotically de Sitter solutions is used to show that the wavefunction contains no logarithmic growth in the pure graviton sector at tree level. Finally, assuming a holographic relation between the wavefunction and the partition function of a conformal field theory, we interpret the logarithmic growths in the language of conformal field theory.

  1. Horizon Wavefunction of Generalized Uncertainty Principle Black Holes

    Directory of Open Access Journals (Sweden)

    Luciano Manfredi

    2016-01-01

    Full Text Available We study the Horizon Wavefunction (HWF description of a Generalized Uncertainty Principle inspired metric that admits sub-Planckian black holes, where the black hole mass m is replaced by M=m1+β/2MPl2/m2. Considering the case of a wave-packet shaped by a Gaussian distribution, we compute the HWF and the probability PBH that the source is a (quantum black hole, that is, that it lies within its horizon radius. The case β0, where a minimum in PBH is encountered, thus meaning that every particle has some probability of decaying to a black hole. Furthermore, for sufficiently large β we find that every particle is a quantum black hole, in agreement with the intuitive effect of increasing β, which creates larger M and RH terms. This is likely due to a “dimensional reduction” feature of the model, where the black hole characteristics for sub-Planckian black holes mimic those in (1+1 dimensions and the horizon size grows as RH~M-1.

  2. Single particle dynamics

    International Nuclear Information System (INIS)

    Siemens, P.J.; Jensen, A.S.

    1985-01-01

    It is shown that the opening of the 3-quasiparticle continuum at 3Δ sets the energy scale for the enhancement of the effective mass near the Fermi surface of nuclei. The authors argue that the spreading width of single-particle states due to coupling with low-lying collective modes is qualitatively different from the two-body collision mechanism, and contributes little to the single-particle lifetime in the sense of the optical model. (orig.)

  3. Light-Front Holography, Light-Front Wavefunctions, and Novel QCD Phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Brodsky, Stanley J.; /SLAC /Southern Denmark U., CP3-Origins; de Teramond, Guy F.; /Costa Rica U.

    2012-02-16

    Light-Front Holography is one of the most remarkable features of the AdS/CFT correspondence. In spite of its present limitations it provides important physical insights into the nonperturbative regime of QCD and its transition to the perturbative domain. This novel framework allows hadronic amplitudes in a higher dimensional anti-de Sitter (AdS) space to be mapped to frame-independent light-front wavefunctions of hadrons in physical space-time. The model leads to an effective confining light-front QCD Hamiltonian and a single-variable light-front Schroedinger equation which determines the eigenspectrum and the light-front wavefunctions of hadrons for general spin and orbital angular momentum. The coordinate z in AdS space is uniquely identified with a Lorentz-invariant coordinate {zeta} which measures the separation of the constituents within a hadron at equal light-front time and determines the off-shell dynamics of the bound-state wavefunctions, and thus the fall-off as a function of the invariant mass of the constituents. The soft-wall holographic model modified by a positive-sign dilaton metric, leads to a remarkable one-parameter description of nonperturbative hadron dynamics - a semi-classical frame-independent first approximation to the spectra and light-front wavefunctions of meson and baryons. The model predicts a Regge spectrum of linear trajectories with the same slope in the leading orbital angular momentum L of hadrons and the radial quantum number n. The hadron eigensolutions projected on the free Fock basis provides the complete set of valence and non-valence light-front Fock state wavefunctions {Psi}{sub n/H} (x{sub i}, k{sub {perpendicular}i}, {lambda}{sub i}) which describe the hadron's momentum and spin distributions needed to compute the direct measures of hadron structure at the quark and gluon level, such as elastic and transition form factors, distribution amplitudes, structure functions, generalized parton distributions and transverse

  4. Single Particle Entropy in Heated Nuclei

    International Nuclear Information System (INIS)

    Guttormsen, M.; Chankova, R.; Hjorth-Jensen, M.; Rekstad, J.; Siem, S.; Sunde, A. C.; Syed, N. U. H.; Agvaanluvsan, U.; Schiller, A.; Voinov, A.

    2006-01-01

    The thermal motion of single particles represents the largest contribution to level density (or entropy) in atomic nuclei. The concept of single particle entropy is presented and shown to be an approximate extensive (additive) quantity for mid-shell nuclei. A few applications of single particle entropy are demonstrated

  5. Quantum hoop conjecture: Black hole formation by particle collisions

    Energy Technology Data Exchange (ETDEWEB)

    Casadio, Roberto, E-mail: casadio@bo.infn.it [Dipartimento di Fisica e Astronomia, Università di Bologna, via Irnerio 46, 40126 Bologna (Italy); I.N.F.N., Sezione di Bologna, viale Berti Pichat 6/2, 40127 Bologna (Italy); Micu, Octavian, E-mail: octavian.micu@spacescience.ro [Institute of Space Science, Bucharest, P.O. Box MG-23, RO-077125 Bucharest-Magurele (Romania); Scardigli, Fabio, E-mail: fabio@phys.ntu.edu.tw [Dipartimento di Matematica, Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano (Italy); Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan)

    2014-05-01

    We address the issue of (quantum) black hole formation by particle collision in quantum physics. We start by constructing the horizon wave-function for quantum mechanical states representing two highly boosted non-interacting particles that collide in flat one-dimensional space. From this wave-function, we then derive a probability that the system becomes a black hole as a function of the initial momenta and spatial separation between the particles. This probability allows us to extend the hoop conjecture to quantum mechanics and estimate corrections to its classical counterpart.

  6. Variational Wavefunction for the Periodic Anderson Model with Onsite Correlation Factors

    Science.gov (United States)

    Kubo, Katsunori; Onishi, Hiroaki

    2017-01-01

    We propose a variational wavefunction containing parameters to tune the probabilities of all the possible onsite configurations for the periodic Anderson model. We call it the full onsite-correlation wavefunction (FOWF). This is a simple extension of the Gutzwiller wavefunction (GWF), in which one parameter is included to tune the double occupancy of the f electrons at the same site. We compare the energy of the GWF and the FOWF evaluated by the variational Monte Carlo method and that obtained with the density-matrix renormalization group method. We find that the energy is considerably improved in the FOWF. On the other hand, the physical quantities do not change significantly between these two wavefunctions as long as they describe the same phase, such as the paramagnetic phase. From these results, we not only demonstrate the improvement by the FOWF, but we also gain insights on the applicability and limitation of the GWF to the periodic Anderson model.

  7. Variational wavefunction for the periodic anderson model with onsite correlation factors

    International Nuclear Information System (INIS)

    Kubo, Katsunori; Onishi, Hiroaki

    2017-01-01

    We propose a variational wavefunction containing parameters to tune the probabilities of all the possible onsite configurations for the periodic Anderson model. We call it the full onsite-correlation wavefunction (FOWF). This is a simple extension of the Gutzwiller wavefunction (GWF), in which one parameter is included to tune the double occupancy of the f electrons at the same site. We compare the energy of the GWF and the FOWF evaluated by the variational Monte Carlo method and that obtained with the density-matrix renormalization group method. We find that the energy is considerably improved in the FOWF. On the other hand, the physical quantities do not change significantly between these two wavefunctions as long as they describe the same phase, such as the paramagnetic phase. From these results, we not only demonstrate the improvement by the FOWF, but we also gain insights on the applicability and limitation of the GWF to the periodic Anderson model. (author)

  8. Studies in Composing Hydrogen Atom Wavefunctions

    DEFF Research Database (Denmark)

    Putnam, Lance Jonathan; Kuchera-Morin, JoAnn; Peliti, Luca

    2015-01-01

    We present our studies in composing elementary wavefunctions of a hydrogen-like atom and identify several relationships between physical phenomena and musical composition that helped guide the process. The hydrogen-like atom accurately describes some of the fundamental quantum mechanical phenomen...

  9. Diagonal Born-Oppenheimer correction for coupled-cluster wave-functions

    Science.gov (United States)

    Shamasundar, K. R.

    2018-06-01

    We examine how geometry-dependent normalisation freedom of electronic wave-functions affects extraction of a meaningful diagonal Born-Oppenheimer correction (DBOC) to the ground-state Born-Oppenheimer potential energy surface (PES). By viewing this freedom as a kind of gauge-freedom, it is shown that DBOC and the resulting associated mass-dependent adiabatic PES are gauge-invariant quantities. A sum-over-states (SOS) formula for DBOC which explicitly exhibits this invariance is derived. A biorthogonal formulation suitable for DBOC computations using standard unnormalised coupled-cluster (CC) wave-functions is presented. This is shown to lead to a biorthogonal version of SOS formula with similar properties. On this basis, different computational schemes for evaluating DBOC using approximate CC wave-functions are derived. One of this agrees with the formula used in the current literature. The connection to adiabatic-to-diabatic transformations in non-adiabatic dynamics is explored and complications arising from biorthogonal nature of CC theory are identified.

  10. Classification of a Supersolid: Trial Wavefunctions, Symmetry Breakings and Excitation Spectra

    Science.gov (United States)

    Chen, Yu; Ye, Jinwu; Tian, Guangshan

    2012-11-01

    A state of matter is characterized by its symmetry breaking and elementary excitations. A supersolid is a state which breaks both translational symmetry and internal U(1) symmetry. Here, we review some past and recent works in phenomenological Ginsburg-Landau theories, ground state trial wavefunctions and microscopic numerical calculations. We also write down a new effective supersolid Hamiltonian on a lattice. The eigenstates of the Hamiltonian contains both the ground state wavefunction and all the excited states (supersolidon) wavefunctions. We contrast various kinds of supersolids in both continuous systems and on lattices, both condensed matter and cold atom systems. We provide additional new insights in studying their order parameters, symmetry breaking patterns, the excitation spectra and detection methods.

  11. Structure of the many-body wavefunction for scattering

    International Nuclear Information System (INIS)

    L'Huillier, M.; Redish, E.F.; Tandy, P.C.

    1978-01-01

    We show that the scattered part of the many-body wavefunction initiated by two incoming clusters is given by a fully connected operator acting on the initial channel state. The structure of this operator suggests a division of the full wavefunction into two-cluster components. A set of coupled equations in both the differential and integral form is then derived for these components. These equations have structure and properties similar to the three-body equations of Faddeev. We demonstrate that each component has outgoing waves in a unique two-cluster partition. The transition amplitude for any final arrangement can therefore be extracted directly from the outgoing waves in the relevant components

  12. Multivariable hypergeometric solutions for three charged particles

    Energy Technology Data Exchange (ETDEWEB)

    Gasaneo, G.; Colavecchia, F.D.; Garibotti, C.R. [Comision Nacional de Energia Atomica, San Carlos de Bariloche (Argentina). Centro Atomico Bariloche]|[Consejo Nacional de Investigaciones Cientificas y Tecnicas, San Carlos de Bariloche (Argentina); Miraglia, J.E.; Macri, P. [IAFE, Consejo de Investigaciones Cientificas y Tecnicas, Buenos Aires (Argentina)

    1997-04-28

    We present a new wavefunction which describes the ion-atom problem above the ionization threshold. This is an approximate solution of the Schrodinger equation for the three-body Coulomb problem that can be expressed in terms of a confluent hypergeometric function of two variables. The proposed wavefunction includes correlation among the motions of the three particles and verifies the correct Coulombic asymptotic behaviours. (author).

  13. Communication: Quantum mechanics without wavefunctions

    Energy Technology Data Exchange (ETDEWEB)

    Schiff, Jeremy [Department of Mathematics, Bar-Ilan University, Ramat Gan 52900 (Israel); Poirier, Bill [Department of Chemistry and Biochemistry, Texas Tech University, Box 41061, Lubbock, Texas 79409-1061 (United States) and Department of Physics, Texas Tech University, Box 41051, Lubbock, Texas 79409-1051 (United States)

    2012-01-21

    We present a self-contained formulation of spin-free non-relativistic quantum mechanics that makes no use of wavefunctions or complex amplitudes of any kind. Quantum states are represented as ensembles of real-valued quantum trajectories, obtained by extremizing an action and satisfying energy conservation. The theory applies for arbitrary configuration spaces and system dimensionalities. Various beneficial ramifications--theoretical, computational, and interpretational--are discussed.

  14. Communication: Quantum mechanics without wavefunctions

    International Nuclear Information System (INIS)

    Schiff, Jeremy; Poirier, Bill

    2012-01-01

    We present a self-contained formulation of spin-free non-relativistic quantum mechanics that makes no use of wavefunctions or complex amplitudes of any kind. Quantum states are represented as ensembles of real-valued quantum trajectories, obtained by extremizing an action and satisfying energy conservation. The theory applies for arbitrary configuration spaces and system dimensionalities. Various beneficial ramifications--theoretical, computational, and interpretational--are discussed.

  15. Fermion Wavefunctions in Magnetized branes Theta identities and Yukawa couplings

    CERN Document Server

    Antoniadis, Ignatios; Panda, Binata

    2009-01-01

    Computation of Yukawa couplings, determining superpotentials as well as the Kähler metric, with oblique (non-commuting) fluxes in magnetized brane constructions is an interesting unresolved issue, in view of the importance of such fluxes for obtaining phenomenologically viable models. In order to perform this task, fermion (scalar) wavefunctions on toroidally compactified spaces are presented for general fluxes, parameterized by Hermitian matrices with eigenvalues of arbitrary signatures. We also give explicit mappings among fermion wavefunctions, of different internal chiralities on the tori, which interchange the role of the flux components with the complex structure of the torus. By evaluating the overlap integral of the wavefunctions, we give the expressions for Yukawa couplings among chiral multiplets arising from an arbitrary set of branes (or their orientifold images). The method is based on constructing certain mathematical identities for general Riemann theta functions with matrix valued modular par...

  16. Delivery of single accelerated particles

    International Nuclear Information System (INIS)

    McNulty, P.J.; Pease, V.P.; Bond, V.P.; Schimmerling, W.; Vosburgh, K.G.; Crebbin, K.; Everette, W.; Howard, J.

    1978-01-01

    It is desirable for certain experiments involving accelerators to have the capability of delivering just a single beam particle to the target area. The essential features of such a one-at-a-time facility are discussed. Two such facilities are described which were implemented at high-energy heavy ion accelerators without having to make major structural changes in the existing beam lines or substantially interfering with other accelerator uses. Two accelerator facilities are described which had the capability of delivering a single beam particle to the target area. This feature is necessary in certain experiments investigating visual phenomena induced by charged particles, other single particle interactions in biology, and other experiments in which the low intensities of cosmic rays need to be simulated. Both facilities were implemented without having to make structural changes in the existing beam lines or substantially interfering with other accelerator uses. (Auth.)

  17. Many-particle interference beyond many-boson and many-fermion statistics

    DEFF Research Database (Denmark)

    Tichy, Malte C.; Tiersch, Markus; Mintert, Florian

    2012-01-01

    Identical particles exhibit correlations even in the absence of inter-particle interaction, due to the exchange (anti)symmetry of the many-particle wavefunction. Two fermions obey the Pauli principle and anti-bunch, whereas two bosons favor bunched, doubly occupied states. Here, we show that the ......Identical particles exhibit correlations even in the absence of inter-particle interaction, due to the exchange (anti)symmetry of the many-particle wavefunction. Two fermions obey the Pauli principle and anti-bunch, whereas two bosons favor bunched, doubly occupied states. Here, we show...... that the collective interference of three or more particles leads to much more diverse behavior than expected from the boson–fermion dichotomy known from quantum statistical mechanics. The emerging complexity of many-particle interference is tamed by a simple law for the strict suppression of events in the Bell...

  18. Violation of Bell-type inequality in single-neutron interferometry: quantum contextuality

    International Nuclear Information System (INIS)

    Hasegawa, Y.; Loidl, R.; Badurek, G.; Baron, M.; Rauch, H.

    2004-01-01

    We report a single-neutron optical experiment to demonstrate the violation of a Bell-like inequality. Entanglement is achieved between the degrees of freedom for a single particle. The total wave function of the neutron is described in a tensor product Hilbert space. A Bell-like inequality is derived not by a non-locality but by a contextuality. Joint measurements of the spinor and the path properties lead to the violation of a Bell-like inequality. Manipulation of the wavefunction in one Hilbert space influences the result of the measurement in the other Hilbert space

  19. Single-particle dispersion in compressible turbulence

    Science.gov (United States)

    Zhang, Qingqing; Xiao, Zuoli

    2018-04-01

    Single-particle dispersion statistics in compressible box turbulence are studied using direct numerical simulation. Focus is placed on the detailed discussion of effects of the particle Stokes number and turbulent Mach number, as well as the forcing type. When solenoidal forcing is adopted, it is found that the single-particle dispersion undergoes a transition from the ballistic regime at short times to the diffusive regime at long times, in agreement with Taylor's particle dispersion argument. The strongest dispersion of heavy particles is announced when the Stokes number is of order 1, which is similar to the scenario in incompressible turbulence. The dispersion tends to be suppressed as the Mach number increases. When hybrid solenoidal and compressive forcing at a ratio of 1/2 is employed, the flow field shows apparent anisotropic property, characterized by the appearance of large shock wave structures. Accordingly, the single-particle dispersion shows extremely different behavior from the solenoidal forcing case.

  20. Single-particle potential from resummed ladder diagrams

    International Nuclear Information System (INIS)

    Kaiser, N.

    2013-01-01

    A recent work on the resummation of fermionic in-medium ladder diagrams to all orders is extended by calculating the complex single-particle potential U(p, k f ) + i W(p, k f ) p > k f . The on-shell single-particle potential is constructed by means of a complex-valued in-medium loop that includes corrections from a test particle of momentum vector p added to the filled Fermi sea. The single-particle potential U(k f , k f ) at the Fermi surface as obtained from the resummation of the combined particle and hole ladder diagrams is shown to satisfy the Hugenholtz-Van-Hove theorem. The perturbative contributions at various orders a n in the scattering length are deduced and checked against the known analytical results at order a 1 and a 2 . The limit a → ∞ is studied as a special case and a strong momentum dependence of the real (and imaginary) single-particle potential is found. This feature indicates an instability against a phase transition to a state with an empty shell inside the Fermi sphere such that the density gets reduced by about 5%. The imaginary single-particle potential vanishes linearly at the Fermi surface. For comparison, the same analysis is performed for the resummed particle-particle ladder diagrams alone. In this truncation an instability for hole excitations near the Fermi surface is found at strong coupling. For the set of particle-hole ring diagrams the single-particle potential is calculated as well. Furthermore, the resummation of in-medium ladder diagrams to all orders is studied for a two-dimensional Fermi gas with a short-range two-body contact interaction. (orig.)

  1. Single particle distributions, ch.2

    International Nuclear Information System (INIS)

    Blokzijl, R.

    1977-01-01

    A survey of inclusive single particle distributions is given for various particles. A comparison of particle cross-sections measured in K - p experiments at different center of mass energies shows that some of these cross-sections remain almost constant over a wide range of incoming K - momenta

  2. Excited electronic states of MnO{sub 4}{sup −}: Challenges for wavefunction and density functional response theories

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Nuno M.S.; McKinlay, Russell G.; Paterson, Martin J., E-mail: m.j.paterson@hw.ac.uk

    2015-01-13

    Highlights: • Linear response coupled cluster hierarchy CCS, CC2, CCSD, CC3 applied to lowest excited states of MnO{sub 4}{sup −}. • Unphysical results obtained for approximate CCn methods. • Failure traced to very large singles amplitudes. • HF and RASSCF calculations on ground state show strong correlations give very poor HF single particle picture. • TD-CAM-B3LYP describes LMCT states with reasonable accuracy. - Abstract: The lowest excited electronic states of the permanganate ion MnO{sub 4}{sup −} are calculated using a hierarchy of coupled cluster response approaches, as well as time-dependent density functional theory. It is shown that while full linear response coupled cluster with singles and doubles (or higher) performs well, that permanganate represents a stern test for approximate coupled cluster response models, and that problems can be traced to very large orbital relaxation effects. TD-DFT is reasonably robust although errors around 0.6 eV are still observed. In order to further investigate the strong correlations prevalent in the electronic ground state large-scale RASSCF calculations were also performed. Again very large orbital relaxation in the correlated wavefunction is observed. Although the system can qualitatively be described by a single configuration, multi-reference diagnostic values show that care must be taken in this and similar metal complexes.

  3. Fermion wavefunctions in magnetized branes: Theta identities and Yukawa couplings

    International Nuclear Information System (INIS)

    Antoniadis, Ignatios; Kumar, Alok; Panda, Binata

    2009-01-01

    Computation of Yukawa couplings, determining superpotentials as well as the Kaehler metric, with oblique (non-commuting) fluxes in magnetized brane constructions is an interesting unresolved issue, in view of the importance of such fluxes for obtaining phenomenologically viable models. In order to perform this task, fermion (scalar) wavefunctions on toroidally compactified spaces are presented for general fluxes, parameterized by Hermitian matrices with eigenvalues of arbitrary signatures. We also give explicit mappings among fermion wavefunctions, of different internal chiralities on the tori, which interchange the role of the flux components with the complex structure of the torus. By evaluating the overlap integral of the wavefunctions, we give the expressions for Yukawa couplings among chiral multiplets arising from an arbitrary set of branes (or their orientifold images). The method is based on constructing certain mathematical identities for general Riemann theta functions with matrix valued modular parameter. We briefly discuss an application of the result, for the mass generation of non-chiral fermions, in the SU(5) GUT model presented by us in Antoniadis, Kumar and Panda (2008) .

  4. Saha equation, single and two particle states

    International Nuclear Information System (INIS)

    Kraeft, W.D.; Girardeau, M.D.; Strege, B.

    1990-01-01

    Single and two particle porperties in dense plasma are discussed in connection with their role in the mass action law for a partially ionized plasma. The two particle bound states are nearly density independent, while the continuum is essentially shifted. The single particle states are damped, and their energy has a negative shift and a parabolic behaviour for small momenta. (orig.)

  5. Treatment of Ion-Atom Collisions Using a Partial-Wave Expansion of the Projectile Wavefunction

    Science.gov (United States)

    Wong, T. G.; Foster, M.; Colgan, J.; Madison, D. H.

    2009-01-01

    We present calculations of ion-atom collisions using a partial-wave expansion of the projectile wavefunction. Most calculations of ion-atom collisions have typically used classical or plane-wave approximations for the projectile wavefunction, since partial-wave expansions are expected to require prohibitively large numbers of terms to converge…

  6. The quantum cosmological wavefunction at very early times for a quadratic gravity theory

    International Nuclear Information System (INIS)

    Davis, Simon

    2003-01-01

    The quantum cosmological wavefunction for a quadratic gravity theory derived from the heterotic string effective action is obtained near the inflationary epoch and during the initial Planck era. Neglecting derivatives with respect to the scalar field, the wavefunction would satisfy a third-order differential equation near the inflationary epoch which has a solution that is singular in the scale factor limit a(t) → 0. When scalar field derivatives are included, a sixth-order differential equation is obtained for the wavefunction and the solution by Mellin transform is regular in the a → 0 limit. It follows that inclusion of the scalar field in the quadratic gravity action is necessary for consistency of the quantum cosmology of the theory at very early times

  7. Selection of active spaces for multiconfigurational wavefunctions

    Energy Technology Data Exchange (ETDEWEB)

    Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch [Laboratorium für Physikalische Chemie, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich (Switzerland); Janowski, Tomasz; Pulay, Peter, E-mail: pulay@uark.edu [Department of Chemistry and Biochemistry, Fulbright College of Arts and Sciences, University of Arkansas, Fayetteville, Arkansas 72701 (United States)

    2015-06-28

    The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions

  8. Selection of active spaces for multiconfigurational wavefunctions

    International Nuclear Information System (INIS)

    Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus; Janowski, Tomasz; Pulay, Peter

    2015-01-01

    The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F 2 , ozone, and NO 2 ), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr 2 ). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed

  9. Selection of active spaces for multiconfigurational wavefunctions

    Science.gov (United States)

    Keller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz; Reiher, Markus; Pulay, Peter

    2015-06-01

    The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F2, ozone, and NO2), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr2). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed

  10. Single-particle Glauber matrix elements

    International Nuclear Information System (INIS)

    Oset, E.; Strottman, D.

    1983-01-01

    The single-particle matrix elements of the Glauber profile function are tabulated for harmonic oscillator single-particle wave functions. The tables are presented in such a manner as to be applicable if the hadron--nucleon elementary scattering amplitude is specified by either a partial wave expansion or a Gaussian in momentum transfer squared. The table is complete through the 1 g/sub 9/2/ orbital and contains entries for the 3s/sub 1/2/ orbital for use if realistic wave functions are expanded in terms of harmonic oscillator functions

  11. Single-particle Schroedinger fluid. I. Formulation

    International Nuclear Information System (INIS)

    Kan, K.K.; Griffin, J.J.

    1976-01-01

    The problem of a single quantal particle moving in a time-dependent external potential well is formulated specifically to emphasize and develop the fluid dynamical aspects of the matter flow. This idealized problem, the single-particle Schroedinger fluid, is shown to exhibit already a remarkably rich variety of fluid dynamical features, including compressible flow and line vortices. It provides also a sufficient framework to encompass simultaneously various simplified fluidic models for nuclei which have earlier been postulated on an ad hoc basis, and to illuminate their underlying restrictions. Explicit solutions of the single-particle Schroedinger fluid problem are studied in the adiabatic limit for their mathematical and physical implications (especially regarding the collective kinetic energy). The basic generalizations for extension of the treatment to the many-body Schroedinger fluid are set forth

  12. Methods for forming particles from single source precursors

    Science.gov (United States)

    Fox, Robert V [Idaho Falls, ID; Rodriguez, Rene G [Pocatello, ID; Pak, Joshua [Pocatello, ID

    2011-08-23

    Single source precursors are subjected to carbon dioxide to form particles of material. The carbon dioxide may be in a supercritical state. Single source precursors also may be subjected to supercritical fluids other than supercritical carbon dioxide to form particles of material. The methods may be used to form nanoparticles. In some embodiments, the methods are used to form chalcopyrite materials. Devices such as, for example, semiconductor devices may be fabricated that include such particles. Methods of forming semiconductor devices include subjecting single source precursors to carbon dioxide to form particles of semiconductor material, and establishing electrical contact between the particles and an electrode.

  13. Single-particle motion in large-amplitude quadrupole shape transition

    International Nuclear Information System (INIS)

    Yamada, Kazuya

    1991-01-01

    The microscopic structure of the single-particle motion for the spherical-deformed transitional nuclei is analysed by using the self-consistent collective-coordinate method (SCC method). The single-particle motion in the moving-frame of reference called the collective vibrating coordinate frame is introduced by the generalized Bogoliubov transformation depending on the collective coordinate. The numerical calculations of the single-particle (quasi-particle) energy level diagrams and their occupation probabilities for the static deformation are carried out for the Sm isotopes. A clear change of the single-particle distribution structure appears in the course of deformation. (author)

  14. Quantum computing without wavefunctions: time-dependent density functional theory for universal quantum computation.

    Science.gov (United States)

    Tempel, David G; Aspuru-Guzik, Alán

    2012-01-01

    We prove that the theorems of TDDFT can be extended to a class of qubit Hamiltonians that are universal for quantum computation. The theorems of TDDFT applied to universal Hamiltonians imply that single-qubit expectation values can be used as the basic variables in quantum computation and information theory, rather than wavefunctions. From a practical standpoint this opens the possibility of approximating observables of interest in quantum computations directly in terms of single-qubit quantities (i.e. as density functionals). Additionally, we also demonstrate that TDDFT provides an exact prescription for simulating universal Hamiltonians with other universal Hamiltonians that have different, and possibly easier-to-realize two-qubit interactions. This establishes the foundations of TDDFT for quantum computation and opens the possibility of developing density functionals for use in quantum algorithms.

  15. State reconstruction and irregular wavefunctions for the hydrogen atom

    Science.gov (United States)

    Krähmer, D. S.; Leonhardt, U.

    1997-07-01

    Inspired by a recently proposed procedure by Leonhardt and Raymer for wavepacket reconstruction, we calculate the irregular wavefunctions for the bound states of the Coulomb potential. We select the irregular solutions which have the simplest semiclassical limit.

  16. Single particle dynamics in circular accelerators

    International Nuclear Information System (INIS)

    Ruth, R.D.

    1986-10-01

    The purpose of this paper is to introduce the reader to the theory associated with the transverse dynamics of single particle, in circular accelerators. The discussion begins with a review of Hamiltonian dynamics and canonical transformations. The case of a single particle in a circular accelerator is considered with a discussion of non-linear terms and chromaticity. The canonical perturbation theory is presented and nonlinear resonances are considered. Finally, the concept of renormalization and residue criterion are examined. (FI)

  17. Heavy particle production at the SSC

    International Nuclear Information System (INIS)

    Brodsky, S.J.; Haber, H.E.; Gunion, J.F.

    1984-03-01

    Predictions for the production of heavy quarks, supersymmetric particles, and other colored systems at high energy due to intrinsic twist-six components in the proton wavefunction are given. We also suggest the possibility of using asymmetric collision energies (e.g., via intersecting rings at the SSC) in order to facilitate the study of forward and diffractive particle production processes. 9 references

  18. Fundamental study of single biomass particle combustion

    Energy Technology Data Exchange (ETDEWEB)

    Momeni, M.

    2013-06-01

    This thesis is a comprehensive study of single biomass particle combustion. The effect of particle shape and size and operating conditions on biomass conversion characteristics were investigated experimentally and theoretically. The experimental samples were divided in two groups: particles with regular shapes (spheres and cylinders) and particles with irregular shapes (almost flake-like). A CAMSIZER analyser (Retsch Technology GMBH) was used to determine the size and shape of the particles via Dynamical Digital Image Processing. The experiments were performed in a single particle reactor under well-defined conditions, and the complete combustion processes were recorded as video sequences by a CCD camera installed in the set-up. One of the project objectives is to simulate conditions reasonably close to the conditions in a power plant boiler, i.e., reasonably high temperatures (up to 1600 deg. C) and varying oxygen concentrations in the 5 to 20% range. A one-dimensional mathematical model was used to simulate all the intraparticle conversion processes (drying, recondensation, devolatilisation, char gasification/oxidation and heat/mass/momentum transfer) within single particles of different shapes and size under various conditions. The model also predicts the flame layer domain of a single particle. The model was validated by experimental results under different conditions; good agreement between the model predictions and the experimental data was observed. Both the experimental and modelling results showed that cylindrical particles lose mass faster than spherical particles of a similar volume (mass) and that the burnout time is reduced by increasing the particle aspect ratio (surface area to volume ratio). Very similar conversion times were observed for cylindrical particles with nearly identical surface area to volume ratios. Similar conversion times were also observed for two size classes of pulverised particles (with irregular shapes) made from the same type of

  19. Distribution of lead in single atmospheric particles

    Science.gov (United States)

    Murphy, D. M.; Hudson, P. K.; Cziczo, D. J.; Gallavardin, S.; Froyd, K. D.; Johnston, M. V.; Middlebrook, A. M.; Reinard, M. S.; Thomson, D. S.; Thornberry, T.; Wexler, A. S.

    2007-06-01

    Three independent single particle mass spectrometers measured Pb in individual aerosol particles. These data provide unprecedented sensitivity and statistical significance for the measurement of Pb in single particles. This paper explores the reasons for the frequency of Pb in fine particles now that most gasoline is unleaded. Trace amounts of Pb were found in 5 to 25% of 250 to 3000 nm diameter particles sampled by both aircraft and surface instruments in the eastern and western United States. Over 5% of particles at a mountain site in Switzerland contained Pb. Particles smaller than 100 nm with high Pb content were also observed by an instrument that was only operated in urban areas. Lead was found on all types of particles, including Pb present on biomass burning particles from remote fires. Less common particles with high Pb contents contributed a majority of the total amount of Pb. Single particles with high Pb content often also contained alkali metals, Zn, Cu, Sn, As, and Sb. The association of Pb with Zn and other metals is also found in IMPROVE network filter data from surface sites. Sources of airborne Pb in the United States are reviewed for consistency with these data. The frequent appearance of trace Pb is consistent with widespread emissions of fine Pb particles from combustion sources followed by coagulation with larger particles during long-range transport. Industrial sources that directly emit Pb-rich particles also contribute to the observations. Clean regions of the western United States show some transport of Pb from Asia but most Pb over the United States comes from North American sources. Resuspension of Pb from soil contaminated by the years of leaded gasoline was not directly apparent.

  20. Distribution of lead in single atmospheric particles

    Directory of Open Access Journals (Sweden)

    D. M. Murphy

    2007-06-01

    Full Text Available Three independent single particle mass spectrometers measured Pb in individual aerosol particles. These data provide unprecedented sensitivity and statistical significance for the measurement of Pb in single particles. This paper explores the reasons for the frequency of Pb in fine particles now that most gasoline is unleaded. Trace amounts of Pb were found in 5 to 25% of 250 to 3000 nm diameter particles sampled by both aircraft and surface instruments in the eastern and western United States. Over 5% of particles at a mountain site in Switzerland contained Pb. Particles smaller than 100 nm with high Pb content were also observed by an instrument that was only operated in urban areas. Lead was found on all types of particles, including Pb present on biomass burning particles from remote fires. Less common particles with high Pb contents contributed a majority of the total amount of Pb. Single particles with high Pb content often also contained alkali metals, Zn, Cu, Sn, As, and Sb. The association of Pb with Zn and other metals is also found in IMPROVE network filter data from surface sites. Sources of airborne Pb in the United States are reviewed for consistency with these data. The frequent appearance of trace Pb is consistent with widespread emissions of fine Pb particles from combustion sources followed by coagulation with larger particles during long-range transport. Industrial sources that directly emit Pb-rich particles also contribute to the observations. Clean regions of the western United States show some transport of Pb from Asia but most Pb over the United States comes from North American sources. Resuspension of Pb from soil contaminated by the years of leaded gasoline was not directly apparent.

  1. Integrable systems for particles with internal degrees of freedom

    CERN Document Server

    Minahan, J A; Minahan, Joseph A.; Polychronakos, Alexios P.

    1993-01-01

    We show that a class of models for particles with internal degrees of freedom are integrable. These systems are basically generalizations of the models of Calogero and Sutherland. The proofs of integrability are based on a recently developed exchange operator formalism. We calculate the wave-functions for the Calogero-like models and find the ground-state wave-function for a Calogero-like model in a position dependent magnetic field. This last model might have some relevance for matrix models of open strings.

  2. Discrete repulsive oscillator wavefunctions

    International Nuclear Information System (INIS)

    Munoz, Carlos A; Rueda-Paz, Juvenal; Wolf, Kurt Bernardo

    2009-01-01

    For the study of infinite discrete systems on phase space, the three-dimensional Lorentz algebra and group, so(2,1) and SO(2,1), provide a discrete model of the repulsive oscillator. Its eigenfunctions are found in the principal irreducible representation series, where the compact generator-that we identify with the position operator-has the infinite discrete spectrum of the integers Z, while the spectrum of energies is a double continuum. The right- and left-moving wavefunctions are given by hypergeometric functions that form a Dirac basis for l 2 (Z). Under contraction, the discrete system limits to the well-known quantum repulsive oscillator. Numerical computations of finite approximations raise further questions on the use of Dirac bases for infinite discrete systems.

  3. Single particle measurements and two particle interferometry results from CERN experiment NA44

    International Nuclear Information System (INIS)

    Simon-Gillo, J.

    1994-01-01

    CERN experiment NA44 is optimized for the study of identified single and multiple particle distributions to p T = 0 near mid-rapidity. We measure π +- , K +- , p, bar p, d and bar d, in p + A and A + A collisions at 450 and 20OGeV/u, respectively. Two-particle intensity interferometry results from π + π + , K + K + , and K - K - measurements and single particle distributions are presented

  4. Rotating Wigner molecules and spin-related behaviors in quantum rings

    International Nuclear Information System (INIS)

    Yang Ning; Zhu Jialin; Dai Zhensheng

    2008-01-01

    The trial wavefunctions for few-electron quantum rings are presented to describe the spin-dependent rotating Wigner molecule states. The wavefunctions are constructed from the single-particle orbits which contain two variational parameters to describe the shape and size dependence of electron localization in the ring-like confinement. They can explicitly show the size dependence of single-particle orbital occupation to give an understanding of the spin rules of ground states without magnetic fields. They can also correctly describe the spin and angular momentum transitions in magnetic fields. By examining the von Neumann entropy, it is demonstrated that the wavefunctions can illustrate the entanglement between electrons in quantum rings, including the AB oscillations as well as the spin and size dependence of the entropy. Such trial wavefunctions will be useful in investigating spin-related quantum behaviors of a few electrons in quantum rings

  5. Molecular polarizabilities and susceptibilities from Frost-model wavefunctions

    International Nuclear Information System (INIS)

    Amos, A.T.; Yoffe, J.A.

    1975-01-01

    Average polarizabilities and susceptibilities of a number of molecules are computed from Frost-model wavefunctions using a form of symmetry-adapted double perturbation theory. The anisotropy of α and chi is found for a few molecules using the elliptical Gaussian form of the Frost model. The results obtained are in reasonable agreement with experiment and other calculated values

  6. Quantum contextual phenomena observed in single-neutron interferometer experiments

    International Nuclear Information System (INIS)

    Hasegawa, Yuji; Rauch, Helmut

    2006-01-01

    Neutron optical experiments are presented, which exhibit quantum contextual phenomena. Entanglement is achieved not between particles, but between degrees of freedom, in this case, for a single-particle. Appropriate combinations of the direction of spin analysis and the position of the phase shifter allow an experimental verification of the violation of a Bell-like inequality. Our experiments manifest the fact that manipulation of the wavefunction in one Hilbert space influences the result of the measurement in the other Hilbert space: manipulation without touch! Next, we report another experiment which exhibits other peculiarity of quantum contextuality, e.g., originally intended to show a Kochen-Specker-like phenomenon. We have introduced inequalities for quantitative analysis of the experiments. The value obtained in the experiments clearly showed violations of prediction by non-contextual theory. Finally, we have accomplished a tomographic determination of entangled quantum state in single-neutrons. There, characteristics of the Bell-sate are confirmed: four poles for the real part of the density matrix are clearly seen

  7. Approximating a wavefunction as an unconstrained sum of Slater determinants

    International Nuclear Information System (INIS)

    Beylkin, Gregory; Perez, Fernando; Mohlenkamp, Martin J.

    2008-01-01

    The wavefunction for the multiparticle Schroedinger equation is a function of many variables and satisfies an antisymmetry condition, so it is natural to approximate it as a sum of Slater determinants. Many current methods do so, but they impose additional structural constraints on the determinants, such as orthogonality between orbitals or an excitation pattern. We present a method without any such constraints, by which we hope to obtain much more efficient expansions and insight into the inherent structure of the wavefunction. We use an integral formulation of the problem, a Green's function iteration, and a fitting procedure based on the computational paradigm of separated representations. The core procedure is the construction and solution of a matrix-integral system derived from antisymmetric inner products involving the potential operators. We show how to construct and solve this system with computational complexity competitive with current methods

  8. Stochastic wave-function unravelling of the generalized Lindblad equation using correlated states

    International Nuclear Information System (INIS)

    Moodley, Mervlyn; Nsio Nzundu, T; Paul, S

    2012-01-01

    We perform a stochastic wave-function unravelling of the generalized Lindblad master equation using correlated states, a combination of the system state vectors and the environment population. The time-convolutionless projection operator method using correlated projection superoperators is applied to a two-state system, a qubit, that is coupled to an environment consisting of two energy bands which are both populated. These results are compared to the data obtained from Monte Carlo wave-function simulations based on the unravelling of the master equation. We also show a typical quantum trajectory and the average time evolution of the state vector on the Bloch sphere. (paper)

  9. Incorporation of threshold phenomena in the three-body Coulomb continuum wavefunctions

    International Nuclear Information System (INIS)

    Berakdar, J.

    1996-01-01

    In this work a three-body Coulomb wavefunction for the description of two continuum electrons moving in the field of a nucleus is constructed such that the Wannier threshold law for double escape is reproduced and the asymptotic Coulomb boundary conditions as well as the Kato cusp conditions are satisfied. It is shown that the absolute value of the total cross section, as well as the spin asymmetry, are well described by the present approach. Further, the excess-energy sharing between the two escaping electrons is calculated and analysed in light of the Wannier theory predictions. This is the first time an analytical three-body wavefunction is presented which is asymptotically exact and capable of describing threshold phenomena. 37 refs., 3 figs

  10. New apparatus of single particle trap system for aerosol visualization

    Science.gov (United States)

    Higashi, Hidenori; Fujioka, Tomomi; Endo, Tetsuo; Kitayama, Chiho; Seto, Takafumi; Otani, Yoshio

    2014-08-01

    Control of transport and deposition of charged aerosol particles is important in various manufacturing processes. Aerosol visualization is an effective method to directly observe light scattering signal from laser-irradiated single aerosol particle trapped in a visualization cell. New single particle trap system triggered by light scattering pulse signal was developed in this study. The performance of the device was evaluated experimentally. Experimental setup consisted of an aerosol generator, a differential mobility analyzer (DMA), an optical particle counter (OPC) and the single particle trap system. Polystylene latex standard (PSL) particles (0.5, 1.0 and 2.0 μm) were generated and classified according to the charge by the DMA. Singly charged 0.5 and 1.0 μm particles and doubly charged 2.0 μm particles were used as test particles. The single particle trap system was composed of a light scattering signal detector and a visualization cell. When the particle passed through the detector, trigger signal with a given delay time sent to the solenoid valves upstream and downstream of the visualization cell for trapping the particle in the visualization cell. The motion of particle in the visualization cell was monitored by CCD camera and the gravitational settling velocity and the electrostatic migration velocity were measured from the video image. The aerodynamic diameter obtained from the settling velocity was in good agreement with Stokes diameter calculated from the electrostatic migration velocity for individual particles. It was also found that the aerodynamic diameter obtained from the settling velocity was a one-to-one function of the scattered light intensity of individual particles. The applicability of this system will be discussed.

  11. Jet probes of the nuclear and proton wavefunctions in proton--lead collisions with the ATLAS detector

    CERN Document Server

    Perepelitsa, Dennis; The ATLAS collaboration

    2014-01-01

    Measurements of high pT processes in ultrarelativistic proton-nucleus collisions are sensitive to changes in the partonic densities arising from the presence of the high-density nuclear environment. Such measurements are thought to serve as a benchmark of the so called "cold nuclear matter" effects, providing the context within which to understand the strong suppression of high pT processes observed in nucleus-nucleus collisions. However, measurements of the centrality dependence of jet production at forward (proton-going) rapidities may additionally shed light on the behavior of the proton wavefunction at large Bjorken-x. The latest ATLAS results for inclusive jets and charged particles in 31/nb of 5.02 TeV proton-lead collisions at the LHC are presented. The centrality in these collisions is characterized through the sum of the transverse energy in the lead-going forward calorimeter. The nuclear modification factors RpPb and RCP are presented for jets and high-pT charged particles as a function of transvers...

  12. Transmittivity and wavefunctions in one-dimensional generalized Aubry models

    International Nuclear Information System (INIS)

    Basu, C.; Mookerjee, A.; Sen, A.K.; Thakur, P.K.

    1990-07-01

    We use the vector recursion method of Haydock to obtain the transmittance of a class of generalized Aubry models in one-dimension. We also study the phase change of the wavefunctions as they travel through the chain and also the behaviour of the conductance with changes in size. (author). 10 refs, 9 figs

  13. Single-particle density matrix of liquid 4He

    International Nuclear Information System (INIS)

    Vakarchuk, I.A.

    2008-01-01

    The density single-particle matrix in the coordinate notation was calculated based on the expression for the interacting Bose-particle N system density matrix. Under the low temperatures the mentioned matrix in the first approximation enables to reproduce the Bogoliubov theory results. In the classical terms the mentioned theory enables to reproduce the results of the theory of the classical fluids in the approximation of the chaotic phases. On the basis of the density single-particle matrix one managed to obtain the function of the pulse distribution of the particles, the Bose-liquid average kinetic energy, and to study the Bose-Einstein condensation phenomenon [ru

  14. Current matrix element in HAL QCD's wavefunction-equivalent potential method

    Science.gov (United States)

    Watanabe, Kai; Ishii, Noriyoshi

    2018-04-01

    We give a formula to calculate a matrix element of a conserved current in the effective quantum mechanics defined by the wavefunction-equivalent potentials proposed by the HAL QCD collaboration. As a first step, a non-relativistic field theory with two-channel coupling is considered as the original theory, with which a wavefunction-equivalent HAL QCD potential is obtained in a closed analytic form. The external field method is used to derive the formula by demanding that the result should agree with the original theory. With this formula, the matrix element is obtained by sandwiching the effective current operator between the left and right eigenfunctions of the effective Hamiltonian associated with the HAL QCD potential. In addition to the naive one-body current, the effective current operator contains an additional two-body term emerging from the degrees of freedom which has been integrated out.

  15. Single particle tracking and single molecule energy transfer

    CERN Document Server

    Bräuchle, Christoph; Michaelis, Jens

    2009-01-01

    Closing a gap in the literature, this handbook gathers all the information on single particle tracking and single molecule energy transfer. It covers all aspects of this hot and modern topic, from detecting virus entry to membrane diffusion, and from protein folding using spFRET to coupled dye systems, as well recent achievements in the field. Throughout, the first-class editors and top international authors present content of the highest quality, making this a must-have for physical chemists, spectroscopists, molecular physicists and biochemists.

  16. Automated data collection in single particle electron microscopy

    Science.gov (United States)

    Tan, Yong Zi; Cheng, Anchi; Potter, Clinton S.; Carragher, Bridget

    2016-01-01

    Automated data collection is an integral part of modern workflows in single particle electron microscopy (EM) research. This review surveys the software packages available for automated single particle EM data collection. The degree of automation at each stage of data collection is evaluated, and the capabilities of the software packages are described. Finally, future trends in automation are discussed. PMID:26671944

  17. Single particle irradiation effect of digital signal processor

    International Nuclear Information System (INIS)

    Fan Si'an; Chen Kenan

    2010-01-01

    The single particle irradiation effect of high energy neutron on digital signal processor TMS320P25 in dynamic working condition has been studied. The influence of the single particle on the device has been explored through the acquired waveform and working current of TMS320P25. Analysis results, test data and test methods have also been presented. (authors)

  18. Single-particle states vs. collective modes: friends or enemies ?

    Science.gov (United States)

    Otsuka, T.; Tsunoda, Y.; Togashi, T.; Shimizu, N.; Abe, T.

    2018-05-01

    The quantum self-organization is introduced as one of the major underlying mechanisms of the quantum many-body systems. In the case of atomic nuclei as an example, two types of the motion of nucleons, single-particle states and collective modes, dominate the structure of the nucleus. The collective mode arises as the balance between the effect of the mode-driving force (e.g., quadrupole force for the ellipsoidal deformation) and the resistance power against it. The single-particle energies are one of the sources to produce such resistance power: a coherent collective motion is more hindered by larger spacings between relevant single particle states. Thus, the single-particle state and the collective mode are "enemies" against each other. However, the nuclear forces are rich enough so as to enhance relevant collective mode by reducing the resistance power by changing single-particle energies for each eigenstate through monopole interactions. This will be verified with the concrete example taken from Zr isotopes. Thus, the quantum self-organization occurs: single-particle energies can be self-organized by (i) two quantum liquids, e.g., protons and neutrons, (ii) monopole interaction (to control resistance). In other words, atomic nuclei are not necessarily like simple rigid vases containing almost free nucleons, in contrast to the naïve Fermi liquid picture. Type II shell evolution is considered to be a simple visible case involving excitations across a (sub)magic gap. The quantum self-organization becomes more important in heavier nuclei where the number of active orbits and the number of active nucleons are larger.

  19. Electrons in feldspar I: On the wavefunction of electrons trapped at simple lattice defects

    DEFF Research Database (Denmark)

    Poolton, H.R.J.; Wallinga, J.; Murray, A.S.

    2002-01-01

    The purpose of this article is to make an initial consideration of the physical properties of electrons trapped at classic hydrogenic lattice defects in feldspar. We are particularly interested to determine the radial extent of the electron wavefunctions in the ground and excited states. It is sh......The purpose of this article is to make an initial consideration of the physical properties of electrons trapped at classic hydrogenic lattice defects in feldspar. We are particularly interested to determine the radial extent of the electron wavefunctions in the ground and excited states...

  20. Dual color single particle tracking via nanobodies

    International Nuclear Information System (INIS)

    Albrecht, David; Winterflood, Christian M; Ewers, Helge

    2015-01-01

    Single particle tracking is a powerful tool to investigate the function of biological molecules by following their motion in space. However, the simultaneous tracking of two different species of molecules is still difficult to realize without compromising the length or density of trajectories, the localization accuracy or the simplicity of the assay. Here, we demonstrate a simple dual color single particle tracking assay using small, bright, high-affinity labeling via nanobodies of accessible targets with widely available instrumentation. We furthermore apply a ratiometric step-size analysis method to visualize differences in apparent membrane viscosity. (paper)

  1. Study on the fragmentation of granite due to the impact of single particle and double particles

    Directory of Open Access Journals (Sweden)

    Yuchun Kuang

    2016-09-01

    Full Text Available Particle Impact Drilling (PID is a novel method to improve the rate of penetration (ROP. In order to further improve the performance of PID, an investigation into the effect of single and double particles: (1 diameter; (2 initial velocity; (3 distance; and (4 angle of incidence was undertaken to investigate their effects on broken volume and penetration depth into hard brittle rock. For this purpose, the laboratory experiment of single particle impact rock was employed. Meanwhile, based on the LS-DYNA, a new finite element (FE simulation of the PID, including single and double particles impact rock, has been presented. The 3-dimensional (3D, aix-symmetric, dynamic-explicit, Lagrangian model has been considered in this simulation. And the Elastic and Holmquist Johnson Cook (HJC material behaviors have been used for particles and rocks, respectively. The FE simulation results of single particle impacting rock are good agreement with experimental data. Furthermore, in this article the optimal impact parameters, including diameter, initial velocity, distance and the angle of incidence, are obtained in PID.

  2. Irradiation of single cells with individual high-LET particles

    International Nuclear Information System (INIS)

    Nelson, J.M.; Braby, L.A.

    1993-01-01

    The dose-limiting normal tissue of concern when irradiating head and neck lesions is often the vascular endothelium within the treatment field. Consequently, the response of capillary endothelial cells exposed to moderate doses of high LET particles is essential for establishing exposure limits for neutron-capture therapy. In an effort to characterize the high-LET radiation biology of cultured endothelial cells, the authors are attempting to measure cellular response to single particles. The single-particle irradiation apparatus, described below, allows them to expose individual cells to known numbers of high-LET particles and follow these cells for extended periods, in order to assess the impact of individual particles on cell growth kinetics. Preliminary cell irradiation experiments have revealed complications related to the smooth and efficient operation of the equipment; these are being resolved. Therefore, the following paragraphs deal primarily with the manner by which high LET particles deposit energy, the requirements for single-cell irradiation, construction and assembly of such apparatus, and testing of experimental procedures, rather than with the radiation biology of endothelial cells

  3. Considerations of particle vaporization and analyte diffusion in single-particle inductively coupled plasma-mass spectrometry

    International Nuclear Information System (INIS)

    Ho, Koon-Sing; Lui, Kwok-On; Lee, Kin-Ho; Chan, Wing-Tat

    2013-01-01

    The intensity of individual gold nanoparticles with nominal diameters of 80, 100, 150, and 200 nm was measured using single-particle inductively coupled plasma-mass spectrometry (ICP-MS). Since the particles are not perfectly monodisperse, a distribution of ICP-MS intensity was obtained for each nominal diameter. The distribution of particle mass was determined from the transmission electron microscopy (TEM) image of the particles. The distribution of ICP-MS intensity and the distribution of particle mass for each nominal diameter were correlated to give a calibration curve. The calibration curves are linear, but the slope decreases as the nominal diameter increases. The reduced slope is probably due to a smaller degree of vaporization of the large particles. In addition to the degree of particle vaporization, the rate of analyte diffusion in the ICP is an important factor that determines the measured ICP-MS intensity. Simulated ICP-MS intensity versus particle size was calculated using a simple computer program that accounts for the vaporization rate of the gold nanoparticles and the diffusion rate and degree of ionization of the gold atoms. The curvature of the simulated calibration curves changes with sampling depth because the effects of particle vaporization and analyte diffusion on the ICP-MS intensity are dependent on the residence time of the particle in the ICP. Calibration curves of four hypothetical particles representing the four combinations of high and low boiling points (2000 and 4000 K) and high and low analyte diffusion rates (atomic masses of 10 and 200 Da) were calculated to further illustrate the relative effects of particle vaporization and analyte diffusion. The simulated calibration curves show that the sensitivity of single-particle ICP-MS is smaller than that of the ICP-MS measurement of continuous flow of standard solutions by a factor of 2 or more. Calibration using continuous flow of standard solution is semi-quantitative at best. An

  4. Report of the working group on single-particle nonlinear dynamics

    International Nuclear Information System (INIS)

    Bazzani, A.; Bongini, L.; Corbett, J.; Dome, G.; Fedorova, A.; Freguglia, P.; Ng, K.; Ohmi, K.; Owen, H.; Papaphilippou, Y.; Robin, D.; Safranek, J.; Scandale, W.; Terebilo, A.; Turchetti, G.; Todesco, E.; Warnock, R.; Zeitlin, M.

    1999-01-01

    The Working Group on single-particle nonlinear dynamics has developed a set of tools to study nonlinear dynamics in a particle accelerator. The design of rings with large dynamic apertures is still far from automatic. The Working Group has concluded that nonlinear single-particle dynamics limits the performance of accelerators. (AIP) copyright 1999 American Institute of Physics

  5. Evolution of single-particle structure of silicon isotopes

    Science.gov (United States)

    Bespalova, O. V.; Fedorov, N. A.; Klimochkina, A. A.; Markova, M. L.; Spasskaya, T. I.; Tretyakova, T. Yu.

    2018-01-01

    New data on proton and neutron single-particle energies E_{nlj} of Si isotopes with neutron number N from 12 to 28 as well as occupation probabilities N_{nlj} of single-particle states of stable isotopes 28, 30Si near the Fermi energy were obtained by the joint evaluation of the stripping and pick-up reaction data and excited state decay schemes of neighboring nuclei. The evaluated data indicate the following features of single-particle structure evolution: persistence of Z = 14 subshell closure with N increase, the new magicity of the number N = 16, and the conservation of the magic properties of the number N = 20 in Si isotopic chain. The features were described by the dispersive optical model. The calculation also predicts the weakening of N = 28 shell closure and demonstrates evolution of a bubble-like structure of the proton density distributions in neutron-rich Si isotopes.

  6. Single-particle characterization of 'Asian Dust' certified reference materials using low-Z particle electron probe X-ray microanalysis

    International Nuclear Information System (INIS)

    Hwang, Hee Jin; Ro, Chul-Un

    2006-01-01

    In order to clearly elucidate whether Asian Dust particles experience chemical modification during long-range transport, it is necessary to characterize soil particles where Asian Dust particles originate. If chemical compositions of source soil particles are well characterized, then chemical compositions of Asian Dust particles collected outside source regions can be compared with those of source soil particles in order to find out the occurrence of chemical modification. Asian Dust particles are chemically and morphologically heterogeneous, and thus the average composition and the average aerodynamic diameter (obtainable by bulk analysis) are not much relevant if the chemical modifications of the particles must be followed. The major elemental composition and abundance of the particle types that are potential subjects of chemical modification can only be obtained using single-particle analysis. A single particle analytical technique, named low-Z particle electron probe X-ray microanalysis (low-Z particle EPMA), was applied to characterize two certified reference materials (CRMs) for Asian Dust particles, which were collected from a loess plateau area and a desert of China. The CRMs were defined by bulk analyses to provide certified concentrations for 13 chemical elements. Using the low-Z particle EPMA technique, the concentrations of major chemical species such as aluminosilicates, SiO 2 , CaCO 3 , and carbonaceous species were obtained. Elemental concentrations obtained by the low-Z particle EPMA are close to the certified values, with considering that the single particle and bulk analyses employ very different approaches. There are still some discrepancies between those concentration values, resulting from analyses of particles with different sizes, different sample amounts analyzed, and uncertainties involved in the single particle analysis

  7. Evolution of single-particle structure of silicon isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Bespalova, O.V.; Klimochkina, A.A.; Spasskaya, T.I.; Tretyakova, T.Yu. [Lomonosov Moscow State University, Skobeltsyn Institute of Nuclear Physics, Moscow (Russian Federation); Fedorov, N.A.; Markova, M.L. [Lomonosov Moscow State University, Faculty of Physics, Moscow (Russian Federation)

    2018-01-15

    New data on proton and neutron single-particle energies E{sub nlj} of Si isotopes with neutron number N from 12 to 28 as well as occupation probabilities N{sub nlj} of single-particle states of stable isotopes {sup 28,30}Si near the Fermi energy were obtained by the joint evaluation of the stripping and pick-up reaction data and excited state decay schemes of neighboring nuclei. The evaluated data indicate the following features of single-particle structure evolution: persistence of Z = 14 subshell closure with N increase, the new magicity of the number N = 16, and the conservation of the magic properties of the number N = 20 in Si isotopic chain. The features were described by the dispersive optical model. The calculation also predicts the weakening of N = 28 shell closure and demonstrates evolution of a bubble-like structure of the proton density distributions in neutron-rich Si isotopes. (orig.)

  8. Fragmentation of single-particle states in deformed nuclei

    International Nuclear Information System (INIS)

    Malov, L.A.; Soloviev, V.G.

    1975-01-01

    Fragmentation of single-particle states on levels of deformed nuclei is studied on the example of 239 U and 169 Er nuclei in the framework of the model taking into consideration the interaction of quasiparticles with phonons. The dependence of fragmentation on the Fermi surface is considered from the viewpoint of single-particle levels. It is shown that in the distribution of single-particle strength functions a second maximum appears together with the large asymmetry maximum at high-energy excitation, and the distribution has a long ''tail''. A semimicroscopic approach is proposed for calculating the neutron strength functions. The following values of the strength functions are obtained: for sub(239)U-Ssub(0)sup(cal)=1.2x10sup(-4), Ssub(1)sup(cal)=2.7x10sub(-4) and for sub(169)Er-Ssub(0)sup(cal)=1.10sup(-4), Ssub(1)sup(cal)=1.2x10sup(-4)

  9. Modeling of calcination of single kaolinitic clay particle

    DEFF Research Database (Denmark)

    Gebremariam, Abraham Teklay; Yin, Chungen; Rosendahl, Lasse

    The present work aims at modeling of the calcination (dehydroxylation) process of clay particles, specifically kaolinite, and its thermal transformation. For such purpose, 1D single particle calcination model was developed based on the concept of shrinking core model to assess the dehydroxylation...

  10. Semiempirical formulas for single-particle energies of neutrons and protons

    International Nuclear Information System (INIS)

    Lodhi, M.A.K.; Waak, B.T.

    1978-01-01

    The stepwise multiple linear regression technique has been used to analyze the single-particle energies of neutrons and protons in nuclei along the line of beta stability. Their regular and systematic trends lead to semiempirical model-independent formulas for single-particle energies of neutrons and protons in the bound nuclei as functions of nuclear parameters A and Z for given states specified by nl/sub j/. These formulas are almost as convenient as the harmonic oscillator energy formulas to use. The single-particle energies computed from these formulas have been compared with the experimental data and are found in reasonable agreement

  11. Experiments and modeling of single plastic particle conversion in suspension

    DEFF Research Database (Denmark)

    Nakhaei, Mohammadhadi; Wu, Hao; Grévain, Damien

    2018-01-01

    Conversion of single high density polyethylene (PE) particles has been studied by experiments and modeling. The experiments were carried out in a single particle combustor for five different shapes and masses of particles at temperature conditions of 900 and 1100°C. Each experiment was recorded...... against the experiments as well as literature data. Furthermore, a simplified isothermal model appropriate for CFD applications was developed, in order to model the combustion of plastic particles in cement calciners. By comparing predictions with the isothermal and the non–isothermal models under typical...

  12. Single particle composition measurements of artificial Calcium Carbonate aerosols

    Science.gov (United States)

    Zorn, S. R.; Mentel, T. F.; Schwinger, T.; Croteau, P. L.; Jayne, J.; Worsnop, D. R.; Trimborn, A.

    2012-12-01

    Mineral dust, with an estimated total source from natural and anthropogenic emissions of up to 2800 Tg/yr, is one of the two largest contributors to total aerosol mass, with only Sea salt having a similar source strength (up to 2600 Tg/yr). The composition of dust particles varies strongly depending on the production process and, most importantly, the source location. Therefore, the composition of single dust particles can be used both to trace source regions of air masses as well as to identify chemical aging processes. Here we present results of laboratory studies on generating artificial calcium carbonate (CaCO3) particles, a model compound for carbonaceous mineral dust particles. Particles were generated by atomizing an aqueous hydrogen carbonate solution. Water was removed using a silica diffusion dryer., then the particles were processed in an oven at temperatures up to 900°C, converting the hydrogen carbonate to its anhydrous form. The resulting aerosol was analyzed using an on-line single particle laser ablation aerosol particle time-of-flight mass spectrometer (LAAPTOF). The results confirm the conversion to calcium carbonate, and validate that the produced particles indeed can be used as a model compound for carbonaceous dust aerosols.

  13. Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: non-uniqueness of density-derived molecular structure.

    Science.gov (United States)

    Ludeña, E V; Echevarría, L; Lopez, X; Ugalde, J M

    2012-02-28

    We consider the calculation of non-Born-Oppenheimer, nBO, one-particle densities for both electrons and nuclei. We show that the nBO one-particle densities evaluated in terms of translationally invariant coordinates are independent of the wavefunction describing the motion of center of mass of the whole system. We show that they depend, however, on an arbitrary reference point from which the positions of the vectors labeling the particles are determined. We examine the effect that this arbitrary choice has on the topology of the one-particle density by selecting the Hooke-Calogero model of a three-body system for which expressions for the one-particle densities can be readily obtained in analytic form. We extend this analysis to the one-particle densities obtained from full Coulomb interaction wavefunctions for three-body systems. We conclude, in view of the fact that there is a close link between the choice of the reference point and the topology of one-particle densities that the molecular structure inferred from the topology of these densities is not unique. We analyze the behavior of one-particle densities for the Hooke-Calogero Born-Oppenheimer, BO, wavefunction and show that topological transitions are also present in this case for a particular mass value of the light particles even though in the BO regime the nuclear masses are infinite. In this vein, we argue that the change in topology caused by variation of the mass ratio between light and heavy particles does not constitute a true indication in the nBO regime of the emergence of molecular structure.

  14. Fundamental Study of Single Biomass Particle Combustion

    DEFF Research Database (Denmark)

    Momenikouchaksaraei, Maryam

    This thesis is a comprehensive study of single biomass particle combustion. The effect of particle shape and size and operating conditions on biomass conversion characteristics were investigated experimentally and theoretically. The experimental samples were divided in two groups: particles...... well-defined conditions, and the complete combustion processes were recorded as video sequences by a CCD camera installed in the set-up. One of the project objectives is to simulate conditions reasonably close to the conditions in a power plant boiler, i.e., reasonably high temperatures (up to 1600°C...

  15. Burnout of pulverized biomass particles in large scale boiler - Single particle model approach

    Energy Technology Data Exchange (ETDEWEB)

    Saastamoinen, Jaakko; Aho, Martti; Moilanen, Antero [VTT Technical Research Centre of Finland, Box 1603, 40101 Jyvaeskylae (Finland); Soerensen, Lasse Holst [ReaTech/ReAddit, Frederiksborgsveij 399, Niels Bohr, DK-4000 Roskilde (Denmark); Clausen, Soennik [Risoe National Laboratory, DK-4000 Roskilde (Denmark); Berg, Mogens [ENERGI E2 A/S, A.C. Meyers Vaenge 9, DK-2450 Copenhagen SV (Denmark)

    2010-05-15

    Burning of coal and biomass particles are studied and compared by measurements in an entrained flow reactor and by modelling. The results are applied to study the burning of pulverized biomass in a large scale utility boiler originally planned for coal. A simplified single particle approach, where the particle combustion model is coupled with one-dimensional equation of motion of the particle, is applied for the calculation of the burnout in the boiler. The particle size of biomass can be much larger than that of coal to reach complete burnout due to lower density and greater reactivity. The burner location and the trajectories of the particles might be optimised to maximise the residence time and burnout. (author)

  16. Fluctuations of wavefunctions about their classical average

    International Nuclear Information System (INIS)

    Benet, L; Flores, J; Hernandez-Saldana, H; Izrailev, F M; Leyvraz, F; Seligman, T H

    2003-01-01

    Quantum-classical correspondence for the average shape of eigenfunctions and the local spectral density of states are well-known facts. In this paper, the fluctuations of the quantum wavefunctions around the classical value are discussed. A simple random matrix model leads to a Gaussian distribution of the amplitudes whose width is determined by the classical shape of the eigenfunction. To compare this prediction with numerical calculations in chaotic models of coupled quartic oscillators, we develop a rescaling method for the components. The expectations are broadly confirmed, but deviations due to scars are observed. This effect is much reduced when both Hamiltonians have chaotic dynamics

  17. Laboratory Measurements of Single-Particle Polarimetric Spectrum

    Science.gov (United States)

    Gritsevich, M.; Penttila, A.; Maconi, G.; Kassamakov, I.; Helander, P.; Puranen, T.; Salmi, A.; Hæggström, E.; Muinonen, K.

    2017-12-01

    Measuring scattering properties of different targets is important for material characterization, remote sensing applications, and for verifying theoretical results. Furthermore, there are usually simplifications made when we model targets and compute the scattering properties, e.g., ideal shape or constant optical parameters throughout the target material. Experimental studies help in understanding the link between the observed properties and computed results. Experimentally derived Mueller matrices of studied particles can be used as input for larger-scale scattering simulations, e.g., radiative transfer computations. This method allows to bypass the problem of using an idealized model for single-particle optical properties. While existing approaches offer ensemble- and orientation-averaged particle properties, our aim is to measure individual particles with controlled or known orientation. With the newly developed scatterometer, we aim to offer novel possibility to measure single, small (down to μm-scale) targets and their polarimetric spectra. This work presents an experimental setup that measures light scattered by a fixed small particle with dimensions ranging between micrometer and millimeter sizes. The goal of our setup is nondestructive characterization of such particles by measuring light of multiple wavelengths scattered in 360° in a horizontal plane by an ultrasonically levitating sample, whilst simultaneously controlling its 3D position and orientation. We describe the principles and design of our instrument and its calibration. We also present example measurements of real samples. This study was conducted under the support from the European Research Council, in the frame of the Advanced Grant project No. 320773 `Scattering and Absorption of Electromagnetic Waves in Particulate Media' (SAEMPL).

  18. Single particle analysis with a 3600 light scattering photometer

    International Nuclear Information System (INIS)

    Bartholdi, M.F.

    1979-06-01

    Light scattering by single spherical homogeneous particles in the diameter range 1 to 20 μm and relative refractive index 1.20 is measured. Particle size of narrowly dispersed populations is determined and a multi-modal dispersion of five components is completely analyzed. A 360 0 light scattering photometer for analysis of single particles has been designed and developed. A fluid stream containing single particles intersects a focused laser beam at the primary focal point of an ellipsoidal reflector ring. The light scattered at angles theta = 2.5 0 to 177.5 0 at phi = 0 0 and 180 0 is reflected onto a circular array of photodiodes. The ellipsoidal reflector is situated in a chamber filled with fluid matching that of the stream to minimize refracting and reflecting interfaces. The detector array consists of 60 photodiodes each subtending 3 0 in scattering angle on 6 0 centers around 360 0 . 32 measurements on individual particles can be acquired at rates of 500 particles per second. The intensity and angular distribution of light scattered by spherical particles are indicative of size and relative refractive index. Calculations, using Lorenz--Mie theory, of differential scattering patterns integrated over angle corresponding to the detector geometry determined the instrument response to particle size. From this the expected resolution and experimental procedures are determined.Ultimately, the photometer will be utilized for identification and discrimination of biological cells based on the sensitivity of light scattering to size, shape, refractive index differences, internal granularity, and other internal morphology. This study has demonstrated the utility of the photometer and indicates potential for application to light scattering studies of biological cells

  19. Single-particle basis and translational invariance in microscopic nuclear calculations

    International Nuclear Information System (INIS)

    Ehfros, V.D.

    1977-01-01

    The approach to the few-body problem is considered which allows to use the simple single-particle basis without violation of the translation invariance. A method is proposed to solve the nuclear reaction problems in the single-particle basis. The method satisfies the Pauli principle and the translation invariance. Calculation of the matrix elements of operators is treated

  20. Factors Influencing the Ignition and Burnout of a Single Biomass Particle

    DEFF Research Database (Denmark)

    Momenikouchaksaraei, Maryam; Kær, Søren Knudsen; Yin, Chungen

    2011-01-01

    Ignition and burnout of a single biomass particle were studied numerically. A one-dimensional particle combustion model was developed which is capable to simulate all the intraparticle conversion processes (drying, recondensation, devolatilization, char gasification/oxidation and heat/mass/moment......Ignition and burnout of a single biomass particle were studied numerically. A one-dimensional particle combustion model was developed which is capable to simulate all the intraparticle conversion processes (drying, recondensation, devolatilization, char gasification/oxidation and heat...... concentration were not very significant. The influences of these factors on particle burnout were much more remarkable than ignition behaviour....

  1. Two-Way Communication with a Single Quantum Particle

    Science.gov (United States)

    Del Santo, Flavio; Dakić, Borivoje

    2018-02-01

    In this Letter we show that communication when restricted to a single information carrier (i.e., single particle) and finite speed of propagation is fundamentally limited for classical systems. On the other hand, quantum systems can surpass this limitation. We show that communication bounded to the exchange of a single quantum particle (in superposition of different spatial locations) can result in "two-way signaling," which is impossible in classical physics. We quantify the discrepancy between classical and quantum scenarios by the probability of winning a game played by distant players. We generalize our result to an arbitrary number of parties and we show that the probability of success is asymptotically decreasing to zero as the number of parties grows, for all classical strategies. In contrast, quantum strategy allows players to win the game with certainty.

  2. Snow particles extracted from X-ray computed microtomography imagery and their single-scattering properties

    Science.gov (United States)

    Ishimoto, Hiroshi; Adachi, Satoru; Yamaguchi, Satoru; Tanikawa, Tomonori; Aoki, Teruo; Masuda, Kazuhiko

    2018-04-01

    Sizes and shapes of snow particles were determined from X-ray computed microtomography (micro-CT) images, and their single-scattering properties were calculated at visible and near-infrared wavelengths using a Geometrical Optics Method (GOM). We analyzed seven snow samples including fresh and aged artificial snow and natural snow obtained from field samples. Individual snow particles were numerically extracted, and the shape of each snow particle was defined by applying a rendering method. The size distribution and specific surface area distribution were estimated from the geometrical properties of the snow particles, and an effective particle radius was derived for each snow sample. The GOM calculations at wavelengths of 0.532 and 1.242 μm revealed that the realistic snow particles had similar scattering phase functions as those of previously modeled irregular shaped particles. Furthermore, distinct dendritic particles had a characteristic scattering phase function and asymmetry factor. The single-scattering properties of particles of effective radius reff were compared with the size-averaged single-scattering properties. We found that the particles of reff could be used as representative particles for calculating the average single-scattering properties of the snow. Furthermore, the single-scattering properties of the micro-CT particles were compared to those of particle shape models using our current snow retrieval algorithm. For the single-scattering phase function, the results of the micro-CT particles were consistent with those of a conceptual two-shape model. However, the particle size dependence differed for the single-scattering albedo and asymmetry factor.

  3. Resonating group calculation for a three particle system

    International Nuclear Information System (INIS)

    Kumar, Kiran; Jain, A.K.

    1979-01-01

    The elastic scattering of a projectile comprising of a loosely bound pair of particles by a target has been investigated in the Resonating Group Method (RGM). An effective interaction between the projectile and the target has also been derived in terms of the individual particle-target interaction. Phenomenological potentials are employed to describe, with reasonable accuracy, the antisymmetrized particle-target wavefunctions. This simplifies the analysis from an N-particle calculation to a three body RGM calculation. Results obtained for d-α scattering are compared with a full six nucleon calculation as well as with experiment. Results on 6 Li scattering on 40 Ca are discussed. (auth.)

  4. Mass spectra features of biomass burning boiler and coal burning boiler emitted particles by single particle aerosol mass spectrometer.

    Science.gov (United States)

    Xu, Jiao; Li, Mei; Shi, Guoliang; Wang, Haiting; Ma, Xian; Wu, Jianhui; Shi, Xurong; Feng, Yinchang

    2017-11-15

    In this study, single particle mass spectra signatures of both coal burning boiler and biomass burning boiler emitted particles were studied. Particle samples were suspended in clean Resuspension Chamber, and analyzed by ELPI and SPAMS simultaneously. The size distribution of BBB (biomass burning boiler sample) and CBB (coal burning boiler sample) are different, as BBB peaks at smaller size, and CBB peaks at larger size. Mass spectra signatures of two samples were studied by analyzing the average mass spectrum of each particle cluster extracted by ART-2a in different size ranges. In conclusion, BBB sample mostly consists of OC and EC containing particles, and a small fraction of K-rich particles in the size range of 0.2-0.5μm. In 0.5-1.0μm, BBB sample consists of EC, OC, K-rich and Al_Silicate containing particles; CBB sample consists of EC, ECOC containing particles, while Al_Silicate (including Al_Ca_Ti_Silicate, Al_Ti_Silicate, Al_Silicate) containing particles got higher fractions as size increase. The similarity of single particle mass spectrum signatures between two samples were studied by analyzing the dot product, results indicated that part of the single particle mass spectra of two samples in the same size range are similar, which bring challenge to the future source apportionment activity by using single particle aerosol mass spectrometer. Results of this study will provide physicochemical information of important sources which contribute to particle pollution, and will support source apportionment activities. Copyright © 2017. Published by Elsevier B.V.

  5. Perturbation expansions of stochastic wavefunctions for open quantum systems

    Science.gov (United States)

    Ke, Yaling; Zhao, Yi

    2017-11-01

    Based on the stochastic unravelling of the reduced density operator in the Feynman path integral formalism for an open quantum system in touch with harmonic environments, a new non-Markovian stochastic Schrödinger equation (NMSSE) has been established that allows for the systematic perturbation expansion in the system-bath coupling to arbitrary order. This NMSSE can be transformed in a facile manner into the other two NMSSEs, i.e., non-Markovian quantum state diffusion and time-dependent wavepacket diffusion method. Benchmarked by numerically exact results, we have conducted a comparative study of the proposed method in its lowest order approximation, with perturbative quantum master equations in the symmetric spin-boson model and the realistic Fenna-Matthews-Olson complex. It is found that our method outperforms the second-order time-convolutionless quantum master equation in the whole parameter regime and even far better than the fourth-order in the slow bath and high temperature cases. Besides, the method is applicable on an equal footing for any kind of spectral density function and is expected to be a powerful tool to explore the quantum dynamics of large-scale systems, benefiting from the wavefunction framework and the time-local appearance within a single stochastic trajectory.

  6. A multi-parametric particle-pairing algorithm for particle tracking in single and multiphase flows

    International Nuclear Information System (INIS)

    Cardwell, Nicholas D; Vlachos, Pavlos P; Thole, Karen A

    2011-01-01

    Multiphase flows (MPFs) offer a rich area of fundamental study with many practical applications. Examples of such flows range from the ingestion of foreign particulates in gas turbines to transport of particles within the human body. Experimental investigation of MPFs, however, is challenging, and requires techniques that simultaneously resolve both the carrier and discrete phases present in the flowfield. This paper presents a new multi-parametric particle-pairing algorithm for particle tracking velocimetry (MP3-PTV) in MPFs. MP3-PTV improves upon previous particle tracking algorithms by employing a novel variable pair-matching algorithm which utilizes displacement preconditioning in combination with estimated particle size and intensity to more effectively and accurately match particle pairs between successive images. To improve the method's efficiency, a new particle identification and segmentation routine was also developed. Validation of the new method was initially performed on two artificial data sets: a traditional single-phase flow published by the Visualization Society of Japan (VSJ) and an in-house generated MPF data set having a bi-modal distribution of particles diameters. Metrics of the measurement yield, reliability and overall tracking efficiency were used for method comparison. On the VSJ data set, the newly presented segmentation routine delivered a twofold improvement in identifying particles when compared to other published methods. For the simulated MPF data set, measurement efficiency of the carrier phases improved from 9% to 41% for MP3-PTV as compared to a traditional hybrid PTV. When employed on experimental data of a gas–solid flow, the MP3-PTV effectively identified the two particle populations and reported a vector efficiency and velocity measurement error comparable to measurements for the single-phase flow images. Simultaneous measurement of the dispersed particle and the carrier flowfield velocities allowed for the calculation of

  7. Thomas precession for dressed particles

    Science.gov (United States)

    Oblak, Blagoje

    2018-03-01

    We consider a particle dressed with boundary gravitons in three-dimensional Minkowski space. The existence of BMS transformations implies that the particle’s wavefunction picks up a Berry phase when subjected to changes of reference frames that trace a closed path in the asymptotic symmetry group. We evaluate this phase and show that, for BMS superrotations, it provides a gravitational generalization of Thomas precession. In principle, such phases are observable signatures of asymptotic symmetries.

  8. The measurement of single particle temperature in plasma sprays

    International Nuclear Information System (INIS)

    Fincke, J.R.; Swank, W.D.; Bolsaitis, P.P.; Elliott, J.F.

    1990-01-01

    A measurement technique for simultaneously obtaining the size, velocity, temperature, and relative number density of particles entrained in high temperature flow fields is described. In determining the particle temperature from a two-color pyrometery technique, assumptions about the relative spectral emissivity of the particle are required. For situations in which the particle surface undergoes chemical reactions the assumption of grey body behavior is shown to introduce large Temperature measurement uncertainties. Results from isolated, laser heated, single particle measurements and in-flight data from the plasma spraying of WC-Co are presented. 10 refs., 5 figs

  9. Tagged particle in single-file diffusion with arbitrary initial conditions

    Science.gov (United States)

    Cividini, J.; Kundu, A.

    2017-08-01

    We compute the full probability distribution of the positions of a tagged particle exactly for the given arbitrary initial positions of the particles, and for general single-particle propagators. We consider the thermodynamic limit of our exact expressions in quenched and annealed settings. For a particular class of single-particle propagators, the exact formula is expressed in a simple integral form in the quenched case whereas in the annealed case, it is expressed as a simple combination of Bessel functions. In particular, we focus on the step and the power-law initial configurations. In the former case, a drift is induced even when the one-particle propagators are symmetric. On the other hand, in the later case the scaling of the cumulants of the position of the tracer differs from the uniform case. We provide numerical verifications of our results.

  10. Tomograms and the quest for single particle nonlocality

    International Nuclear Information System (INIS)

    Anisimov, M A; Caponigro, M; Mancini, S; Man'ko, V I

    2007-01-01

    By using a tomographic approach to quantum states, we rise the problem of nonlocality within a single particle (single degree of freedom). We propose a possible way to look for such effects on a qubit. Although a conclusive answer is far from being reached, we provide some reflections on the foundational ground

  11. Single-particle motion in rapidly rotating nuclei

    International Nuclear Information System (INIS)

    Bengtsson, R.; Frisk, H.

    1985-01-01

    The motion of particles belonging to a single-j shell is described in terms of classical orbitals. The effects of rapid rotation and pairing correlations are discussed and the results are compared with the quantum mechanical orbitals. (orig.)

  12. Damping of unbound single-particle modes

    International Nuclear Information System (INIS)

    Fortier, S.; Beaumel, D.; Gales, S.; Guillot, J.; Langevin-Joliot, H.; Laurent, H.; Maison, J.M.

    1995-07-01

    The (α, 3 He-n) reaction has been investigated at 120 MeV incident energy on 64 Ni, 90 Zr and 120 Sn target nuclei. Neutrons in coincidence with 3 He particles emitted at 0 deg were detected, in order to get information about the decay of single-particle states embedded in the (α, 3 He) continuum. Neutron angular correlations, multiplicity values and branching ratios to low-lying states of the final nuclei have been compared with the predictions of the statistical decay model. Direct branching ratios in 91 Zr deduced from this analysis are compared with the predictions of two nuclear structure models. (author)

  13. Strong reduction of spectral heterogeneity in gold bipyramids for single-particle and single-molecule plasmon sensing.

    Science.gov (United States)

    Peters, S M E; Verheijen, M A; Prins, M W J; Zijlstra, P

    2016-01-15

    Single metal nanoparticles are attractive biomolecular sensors. Binding of analyte to a functional particle results in a plasmon shift that can be conveniently monitored in a far-field optical microscope. Heterogeneities in spectral properties of individual particles in an ensemble affect the reliability of a single-particle plasmon sensor, especially when plasmon shifts are monitored in real-time using a fixed irradiation wavelength. We compare the spectral heterogeneity of different plasmon sensor geometries (gold nanospheres, nanorods, and bipyramids) and correlate this to their size and aspect-ratio dispersion. We show that gold bipyramids exhibit a strongly reduced heterogeneity in aspect ratio and plasmon wavelength compared to commonly used gold nanorods. We show that this translates into a significantly improved homogeneity of the response to molecular binding without compromising single-molecule sensitivity.

  14. Physical and chemical study of single aerosol particles using optical trapping cavity ringdown spectroscopy

    Science.gov (United States)

    2016-08-30

    scope that views the trapped particle walking through the ringdown beam step by step. (b) An image that shows the traces of the particle (MWCNT... walking through the RD beam . 5 a b c Fig.3 The OT-CRDS single particle scope views oscillations of a trapped particle. (a) Image of a trapped...and walking single carbon- nanotube particles of ?50 µm in size and viewing those properties via changes of ringdown time. This single- aerosol

  15. New instrument for tribocharge measurement due to single particle impacts

    International Nuclear Information System (INIS)

    Watanabe, Hideo; Ghadiri, Mojtaba; Matsuyama, Tatsushi; Ding Yulong; Pitt, Kendal G.

    2007-01-01

    During particulate solid processing, particle-particle and particle-wall collisions can generate electrostatic charges. This may lead to a variety of problems ranging from fire and explosion hazards to segregation, caking, and blocking. A fundamental understanding of the particle charging in such situations is therefore essential. For this purpose we have developed a new device that can measure charge transfer due to impact between a single particle and a metal plate. The device consists of an impact test system and two sets of Faraday cage and preamplifier for charge measurement. With current amplifiers, high-resolution measurements of particle charges of approximately 1 and 10 fC have been achieved before and after the impact, respectively. The device allows charge measurements of single particles with a size as small as ∼100 μm impacting on the target at different incident angles with a velocity up to about 80 m/s. Further analyses of the charge transfer as a function of particle initial charge define an equilibrium charge, i.e., an initial charge level prior to impact for which no net charge transfer would occur as a result of impact

  16. Wavefunctions, quantum diffusion, and scaling exponents in golden-mean quasiperiodic tilings

    International Nuclear Information System (INIS)

    Thiem, Stefanie; Schreiber, Michael

    2013-01-01

    We study the properties of wavefunctions and the wavepacket dynamics in quasiperiodic tight-binding models in one, two, and three dimensions. The atoms in the one-dimensional quasiperiodic chains are coupled by weak and strong bonds aligned according to the Fibonacci sequence. The associated d-dimensional quasiperiodic tilings are constructed from the direct product of d such chains, which yields either the hypercubic tiling or the labyrinth tiling. This approach allows us to consider fairly large systems numerically. We show that the wavefunctions of the system are multifractal and that their properties can be related to the structure of the system in the regime of strong quasiperiodic modulation by a renormalization group (RG) approach. We also study the dynamics of wavepackets to get information about the electronic transport properties. In particular, we investigate the scaling behaviour of the return probability of the wavepacket with time. Applying again the RG approach we show that in the regime of strong quasiperiodic modulation the return probability is governed by the underlying quasiperiodic structure. Further, we also discuss lower bounds for the scaling exponent of the width of the wavepacket and propose a modified lower bound for the absolute continuous regime.

  17. Accurate and systematically improvable density functional theory embedding for correlated wavefunctions

    International Nuclear Information System (INIS)

    Goodpaster, Jason D.; Barnes, Taylor A.; Miller, Thomas F.; Manby, Frederick R.

    2014-01-01

    We analyze the sources of error in quantum embedding calculations in which an active subsystem is treated using wavefunction methods, and the remainder using density functional theory. We show that the embedding potential felt by the electrons in the active subsystem makes only a small contribution to the error of the method, whereas the error in the nonadditive exchange-correlation energy dominates. We test an MP2 correction for this term and demonstrate that the corrected embedding scheme accurately reproduces wavefunction calculations for a series of chemical reactions. Our projector-based embedding method uses localized occupied orbitals to partition the system; as with other local correlation methods, abrupt changes in the character of the localized orbitals along a reaction coordinate can lead to discontinuities in the embedded energy, but we show that these discontinuities are small and can be systematically reduced by increasing the size of the active region. Convergence of reaction energies with respect to the size of the active subsystem is shown to be rapid for all cases where the density functional treatment is able to capture the polarization of the environment, even in conjugated systems, and even when the partition cuts across a double bond

  18. Wavefunctions, quantum diffusion, and scaling exponents in golden-mean quasiperiodic tilings.

    Science.gov (United States)

    Thiem, Stefanie; Schreiber, Michael

    2013-02-20

    We study the properties of wavefunctions and the wavepacket dynamics in quasiperiodic tight-binding models in one, two, and three dimensions. The atoms in the one-dimensional quasiperiodic chains are coupled by weak and strong bonds aligned according to the Fibonacci sequence. The associated d-dimensional quasiperiodic tilings are constructed from the direct product of d such chains, which yields either the hypercubic tiling or the labyrinth tiling. This approach allows us to consider fairly large systems numerically. We show that the wavefunctions of the system are multifractal and that their properties can be related to the structure of the system in the regime of strong quasiperiodic modulation by a renormalization group (RG) approach. We also study the dynamics of wavepackets to get information about the electronic transport properties. In particular, we investigate the scaling behaviour of the return probability of the wavepacket with time. Applying again the RG approach we show that in the regime of strong quasiperiodic modulation the return probability is governed by the underlying quasiperiodic structure. Further, we also discuss lower bounds for the scaling exponent of the width of the wavepacket and propose a modified lower bound for the absolute continuous regime.

  19. Influence of Torrefaction on Single Particle Combustion of Wood

    DEFF Research Database (Denmark)

    Lu, Zhimin; Jian, Jie; Jensen, Peter Arendt

    2016-01-01

    This study focuses on the influence of torrefaction on the char reactivity, char yield, and combustion time of 3-5 mm spherical wood particles in a single particle combustion reactor (SPC) operating at a nominal temperature of 1231 °C. The devolatilization times were reduced and the char burnout...

  20. Pairing fluctuation effects on the single-particle spectra for the superconducting state

    International Nuclear Information System (INIS)

    Pieri, P.; Pisani, L.; Strinati, G.C.

    2004-01-01

    Single-particle spectra are calculated in the superconducting state for a fermionic system with an attractive interaction, as functions of temperature and coupling strength from weak to strong. The fermionic system is described by a single-particle self-energy that includes pairing-fluctuation effects in the superconducting state. The theory reduces to the ordinary BCS approximation in weak coupling and to the Bogoliubov approximation for the composite bosons in strong coupling. Several features of the single-particle spectral function are shown to compare favorably with experimental data for cuprate superconductors

  1. A transient single particle model under FCI conditions

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-Yan; SHANG Zhi; XU Ji-Jun

    2005-01-01

    The paper is focused on the coupling effect between film boiling heat transfer and evaporation drag around a hot-particle in cold liquid. Based on the continuity, momentum and energy equations of the vapor film, a transient two-dimensional single particle model has been established. This paper contains a detailed description of HPMC (High-temperature Particle Moving in Coolant) model for studying some aspects of the premixing stage of fuel-coolant interactions (FCIs). The transient process of high-temperature particles moving in coolant can be simulated. Comparisons between the experiment results and the calculations using HPMC model demonstrate that HPMC model achieves a good agreement in predicting the time-varying characteristic of high-temperature spheres moving in coolant.

  2. Optimization of magnetic switches for single particle and cell transport

    Energy Technology Data Exchange (ETDEWEB)

    Abedini-Nassab, Roozbeh; Yellen, Benjamin B., E-mail: yellen@duke.edu [Department of Mechanical Engineering and Materials Science, Duke University, Box 90300 Hudson Hall, Durham, North Carolina 27708 (United States); Joint Institute, University of Michigan—Shanghai Jiao Tong University, Shanghai Jiao Tong University, Shanghai 200240 (China); Murdoch, David M. [Department of Medicine, Duke University, Durham, North Carolina 27708 (United States); Kim, CheolGi [Department of Emerging Materials Science, Daegu Gyeongbuk Institute of Science and Technology (DGIST), Daegu 711-873 (Korea, Republic of)

    2014-06-28

    The ability to manipulate an ensemble of single particles and cells is a key aim of lab-on-a-chip research; however, the control mechanisms must be optimized for minimal power consumption to enable future large-scale implementation. Recently, we demonstrated a matter transport platform, which uses overlaid patterns of magnetic films and metallic current lines to control magnetic particles and magnetic-nanoparticle-labeled cells; however, we have made no prior attempts to optimize the device geometry and power consumption. Here, we provide an optimization analysis of particle-switching devices based on stochastic variation in the particle's size and magnetic content. These results are immediately applicable to the design of robust, multiplexed platforms capable of transporting, sorting, and storing single cells in large arrays with low power and high efficiency.

  3. Emissions from Ethanol-Gasoline Blends: A Single Particle Perspective

    Directory of Open Access Journals (Sweden)

    Peter H. McMurry

    2011-06-01

    Full Text Available Due to its agricultural origin and function as a fuel oxygenate, ethanol is being promoted as an alternative biomass-based fuel for use in spark ignition engines, with mandates for its use at state and regional levels. While it has been established that the addition of ethanol to a fuel reduces the particulate mass concentration in the exhaust, little attention has been paid to changes in the physicochemical properties of the emitted particles. In this work, a dynamometer-mounted GM Quad-4 spark ignition engine run without aftertreatment at 1,500 RPM and 100% load was used with four different fuel blends, containing 0, 20, 40 and 85 percent ethanol in gasoline. This allowed the effects of the fuel composition to be isolated from other effects. Instrumentation employed included two Aerosol Time-of-Flight Mass Spectrometers covering different size ranges for analysis of single particle composition, an Aethalometer for black carbon, a Scanning Mobility Particle Sizer for particle size distributions, a Photoelectric Aerosol Sensor for particle-bound polycyclic aromatic hydrocarbon (PAH species and gravimetric filter measurements for particulate mass concentrations. It was found that, under the conditions investigated here, additional ethanol content in the fuel changes the particle size distribution, especially in the accumulation mode, and decreases the black carbon and total particulate mass concentrations. The molecular weight distribution of the PAHs was found to decrease with added ethanol. However, PAHs produced from higher ethanol-content fuels are associated with NO2− (m/z—46 in the single-particle mass spectra, indicating the presence of nitro-PAHs. Compounds associated with the gasoline (e.g., sulfur-containing species are diminished due to dilution as ethanol is added to the fuel relative to those associated with the lubricating oil (e.g., calcium, zinc, phosphate in the single particle spectra. These changes have potential

  4. Studies of the neutron single-particle structure of exotic nuclei at the HRIBF

    International Nuclear Information System (INIS)

    Thomas, J.S.; Bardayan, D.W.; Blackmon, J.C.; Cizewski, J.A.; Greife, U.; Gross, C.J.; Johnson, M.S.; Jones, K.L.; Kozub, R.L.; Liang, J.F.; Livesay, R.J.; Ma, Z.; Moazen, B.H.; Nesaraja, C.D.; Shapira, D.; Smith, M.S.

    2004-01-01

    The study of neutron single-particle strengths in neutron-rich nuclei is of interest for nuclear structure and nuclear astrophysics. The distribution of single-particle strengths constrains the effective Hamiltonian and pairing interactions and determines neutron interaction rates that are crucial for understanding the synthesis of heavy nuclei in supernovae via the rapid neutron capture process. Particularly important are the neutron single-particle levels in nuclei near closed neutron shells. Radioactive ion beams from the Holifield Radioactive Ion Beam Facility have been used to study (d,p) reactions in inverse kinematics in order to probe neutron single-particle states in exotic nuclei. The results of a measurement with a 82 Ge beam will be presented

  5. Statistical evidence against simple forms of wavefunction collapse

    International Nuclear Information System (INIS)

    Page, Don N.

    2013-01-01

    If the initial quantum state of the universe is a multiverse superposition over many different sets of values of the effective coupling ‘constants’ of physics, and if this quantum state collapses to an eigenstate of the set of coupling ‘constants’ with a probability purely proportional to the absolute square of the amplitude (with no additional factor for something like life or consciousness), then one should not expect that the coupling ‘constants’ would be so biophilic as they are observed to be. Therefore, the observed biophilic values (apparent fine tuning) of the coupling ‘constants’ is statistical evidence against such simple forms of wavefunction collapse

  6. Statistical evidence against simple forms of wavefunction collapse

    Energy Technology Data Exchange (ETDEWEB)

    Page, Don N., E-mail: profdonpage@gmail.com [Theoretical Physics Institute, Department of Physics, University of Alberta, Room 238 CEB, 11322-89 Avenue, Edmonton, Alberta, T6G 2G7 (Canada)

    2013-02-26

    If the initial quantum state of the universe is a multiverse superposition over many different sets of values of the effective coupling ‘constants’ of physics, and if this quantum state collapses to an eigenstate of the set of coupling ‘constants’ with a probability purely proportional to the absolute square of the amplitude (with no additional factor for something like life or consciousness), then one should not expect that the coupling ‘constants’ would be so biophilic as they are observed to be. Therefore, the observed biophilic values (apparent fine tuning) of the coupling ‘constants’ is statistical evidence against such simple forms of wavefunction collapse.

  7. Gaussian basis functions for highly oscillatory scattering wavefunctions

    Science.gov (United States)

    Mant, B. P.; Law, M. M.

    2018-04-01

    We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

  8. Direct determination of exciton wavefunction amplitudes by the momentum-resolved photo-electron emission experiment

    Science.gov (United States)

    Ohnishi, Hiromasa; Tomita, Norikazu; Nasu, Keiichiro

    2018-03-01

    We study conceptional problems of a photo-electron emission (PEE) process from a free exciton in insulating crystals. In this PEE process, only the electron constituting the exciton is suddenly emitted out of the crystal, while the hole constituting the exciton is still left inside and forced to be recoiled back to its original valence band. This recoil on the hole is surely reflected in the spectrum of the PEE with a statistical distribution along the momentum-energy curve of the valence band. This distribution is nothing but the square of the exciton wavefunction amplitude, since it shows how the electron and the hole are originally bound together. Thus, the momentum-resolved PEE can directly determine the exciton wavefunction. These problems are clarified, taking the Γ and the saddle point excitons in GaAs, as typical examples. New PEE experiments are also suggested.

  9. Single-particle behaviour in circulating fluidized beds

    DEFF Research Database (Denmark)

    Erik Weinell, Claus; Dam-Johansen, Kim; Johnsson, Jan Erik

    1997-01-01

    This paper describes an experimental investigation of single-particle behaviour in a cold pilot-scale model of a circulating fluidized bed combustor (CFBC). In the system, sand is recirculated by means of air. Pressure measurements along the riser are used to determine the suspension density...

  10. On the inversion of an integral equation relating two wavefunctions in planes of an optical system suffering from an arbitrary number of aberrations

    NARCIS (Netherlands)

    Hoenders, B.J.

    1979-01-01

    If the wavefunction in the (not necessarily gaussian) image plane of an optical instrument is distorted by an arbitrary number of aberrations, the wavefunction in planes situated between the image plane and the plane of the specimen holder cannot be reconstructed by a Fourier series or a Fourier

  11. Electrostatic deposition of a micro solder particle using a single probe by applying a single rectangular pulse

    International Nuclear Information System (INIS)

    Nakabayashi, Daizo; Sawai, Kenji; Saito, Shigeki; Takahashi, Kunio

    2012-01-01

    Recently, micromanipulation techniques have been in high demand. A technique to deposit a metal microparticle onto a metal substrate by using a single metal probe has been proposed as one of the techniques. A solder particle with a diameter of 20–30 µm, initially adhering to the probe tip, is detached and deposited onto a substrate. The success rate of the particle deposition was 44% in the previous research, and is insufficient for industrial applications. In this paper, a technique of particle deposition by applying a single rectangular pulse is proposed, and the mechanism of the deposition is described. In the mechanism, an electric discharge between the probe and the particle when the particle reaches the substrate plays an important role in the particle deposition. Moreover, the mechanism of the proposed technique is verified by experiments of particle deposition, which are observed using a high-speed camera, a scanning electron microscope (SEM) and an oscilloscope. The success rate of the particle deposition has increased to 93% by the proposed technique. Furthermore, the damage to the particle by the electric discharge is evaluated using an RC circuit model, and the applicability of the proposed technique is discussed. (paper)

  12. Single particle train ordering in microchannel based on inertial and vortex effects

    Science.gov (United States)

    Fan, Liang-Liang; Yan, Qing; Zhe, Jiang; Zhao, Liang

    2018-06-01

    A new microfluidic device for microparticle focusing and ordering in a single particle train is reported. The particle focusing and ordering are based on inertial and vortex effects in a microchannel with a series of suddenly contracted and widely expanded structures on one side. In the suddenly contracted regions, particles located near the contracted structures are subjected to a strong wall-effect lift force and momentum-change-induced inertial force due to the highly curved trajectory, migrating to the straight wall. A horizontal vortex is generated downstream of the contracted structure, which prevents the particle from getting close to the wall. In the widely expanded regions, the streamline is curved and no vortex is generated. The shear-gradient lift force and the momentum-change-induced inertial force are dominant for particle lateral migration, driving particles towards the wall of the expanded structures. Eventually, particles are focused and ordered in a single particle train by the combination effects of the inertial forces and the vortex. In comparison with other single-stream particle focusing methods, this device requires no sheath flow, is easy for fabrication and operation, and can work over a wide range of Reynolds numbers from 19.1–142.9. The highly ordered particle chain could be potentially utilized in a variety of lab-chip applications, including micro-flow cytometer, imaging and droplet-based cell entrapment.

  13. Single-particle energies and density of states in density functional theory

    Science.gov (United States)

    van Aggelen, H.; Chan, G. K.-L.

    2015-07-01

    Time-dependent density functional theory (TD-DFT) is commonly used as the foundation to obtain neutral excited states and transition weights in DFT, but does not allow direct access to density of states and single-particle energies, i.e. ionisation energies and electron affinities. Here we show that by extending TD-DFT to a superfluid formulation, which involves operators that break particle-number symmetry, we can obtain the density of states and single-particle energies from the poles of an appropriate superfluid response function. The standard Kohn- Sham eigenvalues emerge as the adiabatic limit of the superfluid response under the assumption that the exchange- correlation functional has no dependence on the superfluid density. The Kohn- Sham eigenvalues can thus be interpreted as approximations to the ionisation energies and electron affinities. Beyond this approximation, the formalism provides an incentive for creating a new class of density functionals specifically targeted at accurate single-particle eigenvalues and bandgaps.

  14. Statistical Methods for Single-Particle Electron Cryomicroscopy

    DEFF Research Database (Denmark)

    Jensen, Katrine Hommelhoff

    Electron cryomicroscopy (cryo-EM) is a form of transmission electron microscopy, aimed at reconstructing the 3D structure of a macromolecular complex from a large set of 2D projection images, as they exhibit a very low signal-to-noise ratio (SNR). In the single-particle reconstruction (SPR) probl...

  15. Centroids of effective interactions from measured single-particle energies: An application

    International Nuclear Information System (INIS)

    Cole, B.J.

    1990-01-01

    Centroids of the effective nucleon-nucleon interaction for the mass region A=28--64 are extracted directly from experimental single-particle spectra, by comparing single-particle energies relative to different cores. Uncertainties in the centroids are estimated at approximately 100 keV, except in cases of exceptional fragmentation of the single-particle strength. The use of a large number of inert cores allows the dependence of the interaction on mass or model space to be investigated. The method permits accurate empirical modifications to be made to realistic interactions calculated from bare nucleon-nucleon potentials, which are known to possess defective centroids in many cases. In addition, the centroids can be used as input to the more sophisticated fitting procedures that are employed to produce matrix elements of the effective interaction

  16. Renormalization-group decimation technique for spectra, wave-functions and density of states

    International Nuclear Information System (INIS)

    Wiecko, C.; Roman, E.

    1983-09-01

    The Renormalization Group decimation technique is very useful for problems described by 1-d nearest neighbour tight-binding model with or without translational invariance. We show how spectra, wave-functions and density of states can be calculated with little numerical work from the renormalized coefficients upon iteration. The results of this new procedure are verified using the model of Soukoulis and Economou. (author)

  17. Wavefunction of the Universe and Chern-Simons perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Soo Chopin [Department of Physics, National Cheng Kung University Tainan 70101, Taiwan (China)

    2002-03-21

    The Chern-Simons exact solution of four-dimensional quantum gravity with nonvanishing cosmological constant is presented in metric variables as the partition function of Chern-Simons theory with nontrivial source. The perturbative expansion is given, and the wavefunction is computed to the lowest order of approximation for the Cauchy surface which is topologically a 3-sphere. The state is well-defined even at degenerate and vanishing values of the dreibein. Reality conditions for the Ashtekar variables are also taken into account, and remarkable features of the Chern-Simons state and their relevance to cosmology are pointed out.

  18. Improved identification of primary biological aerosol particles using single-particle mass spectrometry

    Directory of Open Access Journals (Sweden)

    M. A. Zawadowicz

    2017-06-01

    Full Text Available Measurements of primary biological aerosol particles (PBAP, especially at altitudes relevant to cloud formation, are scarce. Single-particle mass spectrometry (SPMS has been used to probe aerosol chemical composition from ground and aircraft for over 20 years. Here we develop a method for identifying bioaerosols (PBAP and particles containing fragments of PBAP as part of an internal mixture using SPMS. We show that identification of bioaerosol using SPMS is complicated because phosphorus-bearing mineral dust and phosphorus-rich combustion by-products such as fly ash produce mass spectra with peaks similar to those typically used as markers for bioaerosol. We have developed a methodology to differentiate and identify bioaerosol using machine learning statistical techniques applied to mass spectra of known particle types. This improved method provides far fewer false positives compared to approaches reported in the literature. The new method was then applied to two sets of ambient data collected at Storm Peak Laboratory and a forested site in Central Valley, California to show that 0.04–2 % of particles in the 200–3000 nm aerodynamic diameter range were identified as bioaerosol. In addition, 36–56 % of particles identified as biological also contained spectral features consistent with mineral dust, suggesting internal dust–biological mixtures.

  19. The time-dependent coupled oscillator model for the motion of a charged particle in the presence of a time-varying magnetic field

    International Nuclear Information System (INIS)

    Menouar, Salah; Maamache, Mustapha; Choi, Jeong Ryeol

    2010-01-01

    The dynamics of the time-dependent coupled oscillator model for the motion of a charged particle subjected to a time-dependent external magnetic field is investigated. We use the canonical transformation approach for the classical treatment of the system, whereas the unitary transformation approach is used in managing the system in the framework of quantum mechanics. For both approaches, the original system is transformed into a much more simple system that is the sum of two independent harmonic oscillators with time-dependent frequencies. We therefore easily identify the wavefunctions in the transformed system with the help of an invariant operator of the system. The full wavefunctions in the original system are derived from the inverse unitary transformation of the wavefunctions associated with the transformed system.

  20. The L1-shell ionisation of atoms by relativistic particles

    International Nuclear Information System (INIS)

    Moiseiwitsch, B.L.; Norrington, P.H.

    1979-01-01

    An expression for the L 1 -shell ionisation cross sections of atoms by high-energy particles has been derived using the relativistic plane-wave Born approximation. The incident and scattered particles are described by Dirac plane waves while Darwin hydrogenic wavefunctions are used for the atomic electrons. A comparison is made with experimental total cross sections for incident electrons in the energy range 1-2 MeV. The agreement is a considerable improvement on that obtained using the non-relativistic planewave Born approximation. (author)

  1. Morphology of single inhalable particle inside public transit biodiesel fueled bus.

    Science.gov (United States)

    Shandilya, Kaushik K; Kumar, Ashok

    2010-01-01

    In an urban-transit bus, fueled by biodiesel in Toledo, Ohio, single inhalable particle samples in October 2008 were collected and detected by scanning electron microscopy and energy dispersive X-ray spectrometry (SEM/EDS). Particle size analysis found bimodal distribution at 0.2 and 0.5 microm. The particle morphology was characterized by 14 different shape clusters: square, pentagon, hexagon, heptagon, octagon, nonagon, decagon, agglomerate, sphere, triangle, oblong, strip, line or stick, and unknown, by quantitative order. The square particles were common in the samples. Round and triangle particles are more, and pentagon, hexagon, heptagon, octagon, nonagon, decagon, strip, line or sticks are less. Agglomerate particles were found in abundance. The surface of most particles was coarse with a fractal edge that can provide a suitable chemical reaction bed in the polluted atmospheric environment. The three sorts of surface patterns of squares were smooth, semi-smooth, and coarse. The three sorts of square surface patterns represented the morphological characteristics of single inhalable particles in the air inside the bus in Toledo. The size and shape distribution results were compared to those obtained for a bus using ultra low sulfur diesel.

  2. Violation of a Bell-like inequality in neutron optical experiments: quantum contextuality

    International Nuclear Information System (INIS)

    Hasegawa, Yuji; Loidl, Rudolf; Badurek, Gerald; Baron, Matthias; Rauch, Helmut

    2004-01-01

    We report on a single-neutron optical experiment to demonstrate the violation of a Bell-like inequality. Entanglement is achieved not between particles, but between the degrees of freedom; in this case, for a single particle. The spin-1/2 property of neutrons is utilized. The total wavefunction of the neutron is described in a tensor product Hilbert space. A Bell-like inequality is derived not via a non-locality but via a contextuality. Joint measurements of the spinor and the path properties lead to the violation of a Bell-like inequality. Manipulation of the wavefunction in one Hilbert space influences the result of the measurement in the other Hilbert space. A discussion is given on the quantum contextuality and an entanglement-induced correlation in our experiment

  3. Single-electron quantum tomography in quantum Hall edge channels

    International Nuclear Information System (INIS)

    Grenier, Ch; Degiovanni, P; Herve, R; Bocquillon, E; Parmentier, F D; Placais, B; Berroir, J M; Feve, G

    2011-01-01

    We propose a quantum tomography protocol to measure single-electron coherence in quantum Hall edge channels, and therefore access for the first time the wavefunction of single-electron excitations propagating in ballistic quantum conductors. Its implementation would open the way to quantitative studies of single-electron decoherence and would provide a quantitative tool for analyzing single- to few-electron sources. We show how this protocol could be implemented using ultrahigh-sensitivity noise measurement schemes.

  4. Two-particle versus three-particle interactions in single ionization of helium by ion impact

    International Nuclear Information System (INIS)

    Schulz, M; Moshammer, R; Fischer, D; Ullrich, J

    2004-01-01

    We have performed kinematically complete experiments on single ionization of He by 100 MeV amu -1 C 6+ and 3.6 MeV amu -1 Au 24,53+ impact. By analysing doubly differential cross sections (DDCS) as a function of the momenta of all two-particle sub-systems we studied the importance of two-particle interactions. Furthermore, presenting the squared momenta of all three collision fragments simultaneously in a Dalitz plot, we evaluated the role of three-particle interactions. Finally, both for the DDCS and the Dalitz plots the corresponding correlation function was analysed. While the absolute cross sections confirm that ionization predominantly leads to a momentum exchange between the electron and the recoil-ion, the correlation function reveals strong correlations between the particles of any two-particle sub-system. Three-particle correlations, which are not accounted for by perturbative calculations, are quite significant as well, at least for certain kinematic conditions

  5. Single-particle electron microscopy in the study of membrane protein structure.

    Science.gov (United States)

    De Zorzi, Rita; Mi, Wei; Liao, Maofu; Walz, Thomas

    2016-02-01

    Single-particle electron microscopy (EM) provides the great advantage that protein structure can be studied without the need to grow crystals. However, due to technical limitations, this approach played only a minor role in the study of membrane protein structure. This situation has recently changed dramatically with the introduction of direct electron detection device cameras, which allow images of unprecedented quality to be recorded, also making software algorithms, such as three-dimensional classification and structure refinement, much more powerful. The enhanced potential of single-particle EM was impressively demonstrated by delivering the first long-sought atomic model of a member of the biomedically important transient receptor potential channel family. Structures of several more membrane proteins followed in short order. This review recounts the history of single-particle EM in the study of membrane proteins, describes the technical advances that now allow this approach to generate atomic models of membrane proteins and provides a brief overview of some of the membrane protein structures that have been studied by single-particle EM to date. © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  6. On-Chip Magnetic Platform for Single-Particle Manipulation with Integrated Electrical Feedback.

    Science.gov (United States)

    Monticelli, Marco; Torti, Andrea; Cantoni, Matteo; Petti, Daniela; Albisetti, Edoardo; Manzin, Alessandra; Guerriero, Erica; Sordan, Roman; Gervasoni, Giacomo; Carminati, Marco; Ferrari, Giorgio; Sampietro, Marco; Bertacco, Riccardo

    2016-02-17

    Methods for the manipulation of single magnetic particles have become very interesting, in particular for in vitro biological studies. Most of these studies require an external microscope to provide the operator with feedback for controlling the particle motion, thus preventing the use of magnetic particles in high-throughput experiments. In this paper, a simple and compact system with integrated electrical feedback is presented, implementing in the very same device both the manipulation and detection of the transit of single particles. The proposed platform is based on zig-zag shaped magnetic nanostructures, where transverse magnetic domain walls are pinned at the corners and attract magnetic particles in suspension. By applying suitable external magnetic fields, the domain walls move to the nearest corner, thus causing the step by step displacement of the particles along the nanostructure. The very same structure is also employed for detecting the bead transit. Indeed, the presence of the magnetic particle in suspension over the domain wall affects the depinning field required for its displacement. This characteristic field can be monitored through anisotropic magnetoresistance measurements, thus implementing an integrated electrical feedback of the bead transit. In particular, the individual manipulation and detection of single 1-μm sized beads is demonstrated. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Localization and force analysis at the single virus particle level using atomic force microscopy

    International Nuclear Information System (INIS)

    Liu, Chih-Hao; Horng, Jim-Tong; Chang, Jeng-Shian; Hsieh, Chung-Fan; Tseng, You-Chen; Lin, Shiming

    2012-01-01

    Highlights: ► Localization of single virus particle. ► Force measurements. ► Force mapping. -- Abstract: Atomic force microscopy (AFM) is a vital instrument in nanobiotechnology. In this study, we developed a method that enables AFM to simultaneously measure specific unbinding force and map the viral glycoprotein at the single virus particle level. The average diameter of virus particles from AFM images and the specificity between the viral surface antigen and antibody probe were integrated to design a three-stage method that sets the measuring area to a single virus particle before obtaining the force measurements, where the influenza virus was used as the object of measurements. Based on the purposed method and performed analysis, several findings can be derived from the results. The mean unbinding force of a single virus particle can be quantified, and no significant difference exists in this value among virus particles. Furthermore, the repeatability of the proposed method is demonstrated. The force mapping images reveal that the distributions of surface viral antigens recognized by antibody probe were dispersed on the whole surface of individual virus particles under the proposed method and experimental criteria; meanwhile, the binding probabilities are similar among particles. This approach can be easily applied to most AFM systems without specific components or configurations. These results help understand the force-based analysis at the single virus particle level, and therefore, can reinforce the capability of AFM to investigate a specific type of viral surface protein and its distributions.

  8. Single particle behaviour in circulating fluidized bed combustors

    DEFF Research Database (Denmark)

    Erik Weinell, Claus

    1994-01-01

    An investigation of single particle behaviour in a circulating fluidized bed combustor is described, relating to sulphur capture reactions by limestone under alternate oxidizing and reducing conditions present in a circulating fluidized bed combustor, and to the devolatilization and burn out...

  9. A deep convolutional neural network approach to single-particle recognition in cryo-electron microscopy.

    Science.gov (United States)

    Zhu, Yanan; Ouyang, Qi; Mao, Youdong

    2017-07-21

    Single-particle cryo-electron microscopy (cryo-EM) has become a mainstream tool for the structural determination of biological macromolecular complexes. However, high-resolution cryo-EM reconstruction often requires hundreds of thousands of single-particle images. Particle extraction from experimental micrographs thus can be laborious and presents a major practical bottleneck in cryo-EM structural determination. Existing computational methods for particle picking often use low-resolution templates for particle matching, making them susceptible to reference-dependent bias. It is critical to develop a highly efficient template-free method for the automatic recognition of particle images from cryo-EM micrographs. We developed a deep learning-based algorithmic framework, DeepEM, for single-particle recognition from noisy cryo-EM micrographs, enabling automated particle picking, selection and verification in an integrated fashion. The kernel of DeepEM is built upon a convolutional neural network (CNN) composed of eight layers, which can be recursively trained to be highly "knowledgeable". Our approach exhibits an improved performance and accuracy when tested on the standard KLH dataset. Application of DeepEM to several challenging experimental cryo-EM datasets demonstrated its ability to avoid the selection of un-wanted particles and non-particles even when true particles contain fewer features. The DeepEM methodology, derived from a deep CNN, allows automated particle extraction from raw cryo-EM micrographs in the absence of a template. It demonstrates an improved performance, objectivity and accuracy. Application of this novel method is expected to free the labor involved in single-particle verification, significantly improving the efficiency of cryo-EM data processing.

  10. Projection operator treatment of single particle resonances

    International Nuclear Information System (INIS)

    Lev, A.; Beres, W.P.

    1976-01-01

    A projection operator method is used to obtain the energy and width of a single particle resonance. The resonance energy is found without scanning. An example of the first g/sub 9/2/ neutron resonance in 40 Ca is given and compared with the traditional phase shift method. The results of both approaches are quite similar. 4 figures

  11. Determination of particle-release conditions in microfiltration: A simple single-particle model tested on a model membrane

    NARCIS (Netherlands)

    Kuiper, S.; van Rijn, C.J.M.; Nijdam, W.; Krijnen, Gijsbertus J.M.; Elwenspoek, Michael Curt

    2000-01-01

    A simple single-particle model was developed for cross-flow microfiltration with microsieves. The model describes the cross-flow conditions required to release a trapped spherical particle from a circular pore. All equations are derived in a fully analytical way without any fitting parameters. For

  12. Localization and force analysis at the single virus particle level using atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chih-Hao [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Horng, Jim-Tong [Department of Biochemistry, Chang Gung University, 259 Wen-Hwa First Road, Kweishan, Taoyuan 333, Taiwan (China); Chang, Jeng-Shian [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Hsieh, Chung-Fan [Graduate Institute of Biomedical Sciences, Chang Gung University, Kweishan, Taoyuan 333, Taiwan (China); Tseng, You-Chen [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Lin, Shiming, E-mail: til@ntu.edu.tw [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Center for Optoelectronic Biomedicine, College of Medicine, Nation Taiwan University, 1-1 Jen-Ai Road, Taipei 10051, Taiwan (China)

    2012-01-06

    Highlights: Black-Right-Pointing-Pointer Localization of single virus particle. Black-Right-Pointing-Pointer Force measurements. Black-Right-Pointing-Pointer Force mapping. -- Abstract: Atomic force microscopy (AFM) is a vital instrument in nanobiotechnology. In this study, we developed a method that enables AFM to simultaneously measure specific unbinding force and map the viral glycoprotein at the single virus particle level. The average diameter of virus particles from AFM images and the specificity between the viral surface antigen and antibody probe were integrated to design a three-stage method that sets the measuring area to a single virus particle before obtaining the force measurements, where the influenza virus was used as the object of measurements. Based on the purposed method and performed analysis, several findings can be derived from the results. The mean unbinding force of a single virus particle can be quantified, and no significant difference exists in this value among virus particles. Furthermore, the repeatability of the proposed method is demonstrated. The force mapping images reveal that the distributions of surface viral antigens recognized by antibody probe were dispersed on the whole surface of individual virus particles under the proposed method and experimental criteria; meanwhile, the binding probabilities are similar among particles. This approach can be easily applied to most AFM systems without specific components or configurations. These results help understand the force-based analysis at the single virus particle level, and therefore, can reinforce the capability of AFM to investigate a specific type of viral surface protein and its distributions.

  13. Single-particle characterization of the high-Arctic summertime aerosol

    Directory of Open Access Journals (Sweden)

    B. Sierau

    2014-07-01

    Full Text Available Single-particle mass-spectrometric measurements were carried out in the high Arctic north of 80° during summer 2008. The campaign took place onboard the icebreaker Oden and was part of the Arctic Summer Cloud Ocean Study (ASCOS. The instrument deployed was an aerosol time-of-flight mass spectrometer (ATOFMS that provides information on the chemical composition of individual particles and their mixing state in real time. Aerosols were sampled in the marine boundary layer at stations in the open ocean, in the marginal ice zone, and in the pack ice region. The largest fraction of particles detected for subsequent analysis in the size range of the ATOFMS between approximately 200 and 3000 nm in diameter showed mass-spectrometric patterns, indicating an internal mixing state and a biomass burning and/or biofuel source. The majority of these particles were connected to an air mass layer of elevated particle concentration mixed into the surface mixed layer from the upper part of the marine boundary layer. The second largest fraction was represented by sea salt particles. The chemical analysis of the over-ice sea salt aerosol revealed tracer compounds that reflect chemical aging of the particles during their long-range advection from the marginal ice zone, or open waters south thereof prior to detection at the ship. From our findings we conclude that long-range transport of particles is one source of aerosols in the high Arctic. To assess the importance of long-range particle sources for aerosol–cloud interactions over the inner Arctic in comparison to local and regional biogenic primary aerosol sources, the chemical composition of the detected particles was analyzed for indicators of marine biological origin. Only a minor fraction showed chemical signatures of potentially ocean-derived primary particles of that kind. However, a chemical bias in the ATOFMS's detection capabilities observed during ASCOS might suggest the presence of a particle type of

  14. Single-particle characterization of the high-Arctic summertime aerosol

    Science.gov (United States)

    Sierau, B.; Chang, R. Y.-W.; Leck, C.; Paatero, J.; Lohmann, U.

    2014-07-01

    Single-particle mass-spectrometric measurements were carried out in the high Arctic north of 80° during summer 2008. The campaign took place onboard the icebreaker Oden and was part of the Arctic Summer Cloud Ocean Study (ASCOS). The instrument deployed was an aerosol time-of-flight mass spectrometer (ATOFMS) that provides information on the chemical composition of individual particles and their mixing state in real time. Aerosols were sampled in the marine boundary layer at stations in the open ocean, in the marginal ice zone, and in the pack ice region. The largest fraction of particles detected for subsequent analysis in the size range of the ATOFMS between approximately 200 and 3000 nm in diameter showed mass-spectrometric patterns, indicating an internal mixing state and a biomass burning and/or biofuel source. The majority of these particles were connected to an air mass layer of elevated particle concentration mixed into the surface mixed layer from the upper part of the marine boundary layer. The second largest fraction was represented by sea salt particles. The chemical analysis of the over-ice sea salt aerosol revealed tracer compounds that reflect chemical aging of the particles during their long-range advection from the marginal ice zone, or open waters south thereof prior to detection at the ship. From our findings we conclude that long-range transport of particles is one source of aerosols in the high Arctic. To assess the importance of long-range particle sources for aerosol-cloud interactions over the inner Arctic in comparison to local and regional biogenic primary aerosol sources, the chemical composition of the detected particles was analyzed for indicators of marine biological origin. Only a minor fraction showed chemical signatures of potentially ocean-derived primary particles of that kind. However, a chemical bias in the ATOFMS's detection capabilities observed during ASCOS might suggest the presence of a particle type of unknown composition

  15. Single-particle characterization of the High Arctic summertime aerosol

    Science.gov (United States)

    Sierau, B.; Chang, R. Y.-W.; Leck, C.; Paatero, J.; Lohmann, U.

    2014-01-01

    Single-particle mass spectrometric measurements were carried out in the High Arctic north of 80° during summer 2008. The campaign took place onboard the icebreaker Oden and was part of the Arctic Summer Cloud Ocean Study (ASCOS). The instrument deployed was an Aerosol Time-of-Flight Mass Spectrometer (ATOFMS) that provides information on the chemical composition of individual particles and their mixing state in real-time. Aerosols were sampled in the marine boundary layer at stations in the open ocean, in the marginal ice zone, and in the pack ice region. The largest fraction of particles detected for subsequent analysis in the size range of the ATOFMS between approximately 200 nm to 3000 nm in diameter showed mass spectrometric patterns indicating an internal mixing state and a biomass burning and/or biofuel source. The majority of these particles were connected to an air mass layer of elevated particle concentration mixed into the surface mixed layer from the upper part of the marine boundary layer. The second largest fraction was represented by sea salt particles. The chemical analysis of the over-ice sea salt aerosol revealed tracer compounds that reflect chemical aging of the particles during their long-range advection from the marginal ice zone, or open waters south thereof prior to detection at the ship. From our findings we conclude that long-range transport of particles is one source of aerosols in the High Arctic. To assess the importance of long-range particle sources for aerosol-cloud interactions over the inner Arctic in comparison to local and regional biogenic primary aerosol sources, the chemical composition of the detected particles was analyzed for indicators of marine biological origin. Only a~minor fraction showed chemical signatures of potentially ocean-derived primary particles of that kind. However, a chemical bias in the ATOFMS's detection capabilities observed during ASCOS might suggest a presence of a particle type of unknown composition

  16. Collective and single-particle states at high excitation energy

    International Nuclear Information System (INIS)

    Van den Berg, A.M.; Van der Molen, H.K.T.; Harakeh, M.N.; Akimune, H.; Daito, I.; Fujimura, H.; Fujiwara, M.; Ihara, F.; Inomata, T.

    2000-01-01

    Complete text of publication follows. Damping of high-lying single-particle states was investigated by the study of proton decay from high-lying states in 91 Nb, populated by the 90 Zr(α,t) reaction with E α = 180 MeV. In addition to decay to the ground state of 90 Zr, semi-direct decay was observed to the low-lying (2 + and 3 - ) phonon states, confirming the conclusion from other experiments that these phonon states play an important role in the damping process of the single-particle states. Furthermore, the population and decay of Isobaric Analogue States of 91 Zr, which are located at an excitation energy of about 10 - 12 MeV in 91 Nb, has been studied in the same reaction. (author)

  17. Single-Atom Gating of Quantum State Superpositions

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Christopher

    2010-04-28

    The ultimate miniaturization of electronic devices will likely require local and coherent control of single electronic wavefunctions. Wavefunctions exist within both physical real space and an abstract state space with a simple geometric interpretation: this state space - or Hilbert space - is spanned by mutually orthogonal state vectors corresponding to the quantized degrees of freedom of the real-space system. Measurement of superpositions is akin to accessing the direction of a vector in Hilbert space, determining an angle of rotation equivalent to quantum phase. Here we show that an individual atom inside a designed quantum corral1 can control this angle, producing arbitrary coherent superpositions of spatial quantum states. Using scanning tunnelling microscopy and nanostructures assembled atom-by-atom we demonstrate how single spins and quantum mirages can be harnessed to image the superposition of two electronic states. We also present a straightforward method to determine the atom path enacting phase rotations between any desired state vectors. A single atom thus becomes a real-space handle for an abstract Hilbert space, providing a simple technique for coherent quantum state manipulation at the spatial limit of condensed matter.

  18. Self-energy renormalization for inhomogeneous nonequilibrium systems and field expansion via complete set of time-dependent wavefunctions

    Science.gov (United States)

    Kuwahara, Y.; Nakamura, Y.; Yamanaka, Y.

    2018-04-01

    The way to determine the renormalized energy of inhomogeneous systems of a quantum field under an external potential is established for both equilibrium and nonequilibrium scenarios based on thermo field dynamics. The key step is to find an extension of the on-shell concept valid in homogeneous case. In the nonequilibrium case, we expand the field operator by time-dependent wavefunctions that are solutions of the appropriately chosen differential equation, synchronizing with temporal change of thermal situation, and the quantum transport equation is derived from the renormalization procedure. Through numerical calculations of a triple-well model with a reservoir, we show that the number distribution and the time-dependent wavefunctions are relaxed consistently to the correct equilibrium forms at the long-term limit.

  19. Bound states in the continuum generated by supersymmetric quantum mechanics and phase rigidity of the corresponding wavefunctions

    International Nuclear Information System (INIS)

    Demić, Aleksandar; Milanović, Vitomir; Radovanović, Jelena

    2015-01-01

    Supersymmetric quantum mechanics (SUSYQM) is a method that can be used for generating complex potentials with entirely real spectrum with bound states in the continuum (BIC). These complex potentials are isospectral with the initial one, but SUSYQM method adds discrete BIC's at selected energies. Corresponding wavefunctions created by SUSYQM are biorthogonal and complex, hence we can discuss their phase rigidity and illustrate the application of SUSYQM on the examples of three specific potential profiles (free electron, negative Dirac potential and quantum well with infinite walls). - Highlights: • We present SUSYQM method for generating complex potentials with entirely real spectrum. • Phase rigidity and normalizability of wavefunctions in complex potential is discussed. • Numerical application is performed on three specific potential profiles.

  20. Fractal and Morphological Characteristics of Single Marble Particle Crushing in Uniaxial Compression Tests

    Directory of Open Access Journals (Sweden)

    Yidong Wang

    2015-01-01

    Full Text Available Crushing of rock particles is a phenomenon commonly encountered in geotechnical engineering practice. It is however difficult to study the crushing of rock particles using classical theory because the physical structure of the particles is complex and irregular. This paper aims at evaluating fractal and morphological characteristics of single rock particle. A large number of particle crushing tests are conducted on single rock particle. The force-displacement curves and the particle size distributions (PSD of crushed particles are analysed based on particle crushing tests. Particle shape plays an important role in both the micro- and macroscale responses of a granular assembly. The PSD of an assortment of rocks are analysed by fractal methods, and the fractal dimension is obtained. A theoretical formula for particle crushing strength is derived, utilising the fractal model, and a simple method is proposed for predicting the probability of particle survival based on the Weibull statistics. Based on a few physical assumptions, simple equations are derived for determining particle crushing energy. The results of applying these equations are tested against the actual experimental data and prove to be very consistent. Fractal theory is therefore applicable for analysis of particle crushing.

  1. Real-time analysis of insoluble particles in glacial ice using single-particle mass spectrometry

    Science.gov (United States)

    Osman, Matthew; Zawadowicz, Maria A.; Das, Sarah B.; Cziczo, Daniel J.

    2017-11-01

    Insoluble aerosol particles trapped in glacial ice provide insight into past climates, but analysis requires information on climatically relevant particle properties, such as size, abundance, and internal mixing. We present a new analytical method using a time-of-flight single-particle mass spectrometer (SPMS) to determine the composition and size of insoluble particles in glacial ice over an aerodynamic size range of ˜ 0.2-3.0 µm diameter. Using samples from two Greenland ice cores, we developed a procedure to nebulize insoluble particles suspended in melted ice, evaporate condensed liquid from those particles, and transport them to the SPMS for analysis. We further determined size-dependent extraction and instrument transmission efficiencies to investigate the feasibility of determining particle-class-specific mass concentrations. We find SPMS can be used to provide constraints on the aerodynamic size, composition, and relative abundance of most insoluble particulate classes in ice core samples. We describe the importance of post-aqueous processing to particles, a process which occurs due to nebulization of aerosols from an aqueous suspension of originally soluble and insoluble aerosol components. This study represents an initial attempt to use SPMS as an emerging technique for the study of insoluble particulates in ice cores.

  2. Single-particle spectral density of the Hubbard model

    NARCIS (Netherlands)

    Mehlig, B.; Eskes, H.; Hayn, R.; Meinders, M.B.J.

    1995-01-01

    We calculate the single-particle spectral function for the Hubbard model within the framework of a projection technique equivalent to the two-pole approximation. We show that the two-pole approximation can be well understood as an average characterization of the upper and the lower Hubbard bands,

  3. SINGLE-PARTICLE SPECTRAL DENSITY OF THE HUBBARD-MODEL

    NARCIS (Netherlands)

    MEHLIG, B; ESKES, H; HAYN, R; MEINDERS, MBJ

    1995-01-01

    We calculate the single-particle spectral function for the Hubbard model within the framework of a projection technique equivalent to the two-pole approximation. We show that the two-pole approximation can be well understood as an average characterization of the upper and the lower Hubbard bands,

  4. Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment.

    Science.gov (United States)

    Dresselhaus, Thomas; Neugebauer, Johannes; Knecht, Stefan; Keller, Sebastian; Ma, Yingjin; Reiher, Markus

    2015-01-28

    We present the first implementation of a density matrix renormalization group algorithm embedded in an environment described by density functional theory. The frozen density embedding scheme is used with a freeze-and-thaw strategy for a self-consistent polarization of the orbital-optimized wavefunction and the environmental densities with respect to each other.

  5. Single particle dynamics of many-body systems described by Vlasov-Fokker-Planck equations

    International Nuclear Information System (INIS)

    Frank, T.D.

    2003-01-01

    Using Langevin equations we describe the random walk of single particles that belong to particle systems satisfying Vlasov-Fokker-Planck equations. In doing so, we show that Haissinski distributions of bunched particles in electron storage rings can be derived from a particle dynamics model

  6. Damping of unbound single-particle modes

    International Nuclear Information System (INIS)

    Fortier, S.; Beaumel, D.; Gales, S.; Guillot, J.; Langevin-Joliot, H.; Laurent, H.; Maison, J.M.; Bordewijk, J.; Brandenburg, S.; Krasznahorkay, A.; Crawley, G.M.; Massolo, C.P.; Renteria, M.; Khendriche, A.

    1995-01-01

    The (α, 3 He-n) reaction has been investigated at 120 MeV incident energy on 64 Ni, 90 Zr, and 120 Sn target nuclei. Neutrons in coincidence with 3 He particles emitted at 0 degree were detected using the multidetector array EDEN, in order to get information about the decay of single-particle states embedded in the (α, 3 He) continuum. Neutron angular correlations, multiplicity values, and branching ratios to low-lying states of the final nuclei have been compared with the predictions of the statistical decay model. Evidence for a significant nonstatistical decay branch has been observed in the three nuclei below about 15 MeV excitation energy. Direct branching ratios in 91 Zr deduced from this analysis are compared with the predictions of two nuclear structure models. At higher excitation energy, the decay characteristics of the (α, 3 He) continuum are shown to be mainly statistical

  7. Light-Front Holography, Light-Front Wavefunctions, and Novel QCD Phenomena

    DEFF Research Database (Denmark)

    Brodsky, S. J.; de Teramond, G. F.

    2012-01-01

    Light-front holography is one of the most remarkable features of the AdS/CFT correspondence. In spite of its present limitations, it provides important physical insights into the non-perturbative regime of QCD and its transition to the perturbative domain. This novel framework allows hadronic...... projected on the free Fock basis provides the complete set of valence and non-valence light-front Fock state wavefunctions Psi(n)/H(x(i), k(perpendicular to i), lambda(i)) which describe the hadron's momentum and spin distributions needed to compute the direct measures of hadron structure at the quark...

  8. Assessing Covalency in Cerium and Uranium Hexachlorides: A Correlated Wavefunction and Density Functional Theory Study

    Directory of Open Access Journals (Sweden)

    Reece Beekmeyer

    2015-11-01

    Full Text Available The electronic structure of a series of uranium and cerium hexachlorides in a variety of oxidation states was evaluated at both the correlated wavefunction and density functional (DFT levels of theory. Following recent experimental observations of covalency in tetravalent cerium hexachlorides, bonding character was studied using topological and integrated analysis based on the quantum theory of atoms in molecules (QTAIM. This analysis revealed that M–Cl covalency was strongly dependent on oxidation state, with greater covalency found in higher oxidation state complexes. Comparison of M–Cl delocalisation indices revealed a discrepancy between correlated wavefunction and DFT-derived values. Decomposition of these delocalisation indices demonstrated that the origin of this discrepancy lay in ungerade contributions associated with the f-manifold which we suggest is due to self-interaction error inherent to DFT-based methods. By all measures used in this study, extremely similar levels of covalency between complexes of U and Ce in the same oxidation state was found.

  9. Reconstructing an icosahedral virus from single-particle diffraction experiments

    Science.gov (United States)

    Saldin, D. K.; Poon, H.-C.; Schwander, P.; Uddin, M.; Schmidt, M.

    2011-08-01

    The first experimental data from single-particle scattering experiments from free electron lasers (FELs) are now becoming available. The first such experiments are being performed on relatively large objects such as viruses, which produce relatively low-resolution, low-noise diffraction patterns in so-called ``diffract-and-destroy'' experiments. We describe a very simple test on the angular correlations of measured diffraction data to determine if the scattering is from an icosahedral particle. If this is confirmed, the efficient algorithm proposed can then combine diffraction data from multiple shots of particles in random unknown orientations to generate a full 3D image of the icosahedral particle. We demonstrate this with a simulation for the satellite tobacco necrosis virus (STNV), the atomic coordinates of whose asymmetric unit is given in Protein Data Bank entry 2BUK.

  10. Multi-Color Single Particle Tracking with Quantum Dots

    DEFF Research Database (Denmark)

    Christensen, Eva Arnspang; Brewer, J. R.; Lagerholm, B. C.

    2012-01-01

    . multiplex single molecule sensitivity applications such as single particle tracking (SPT). In order to fully optimize single molecule multiplex application with QDs, we have in this work performed a comprehensive quantitative investigation of the fluorescence intensities, fluorescence intensity fluctuations......Quantum dots (QDs) have long promised to revolutionize fluorescence detection to include even applications requiring simultaneous multi-species detection at single molecule sensitivity. Despite the early promise, the unique optical properties of QDs have not yet been fully exploited in e. g...... further show that there is only a small size advantage in using blue-shifted QDs in biological applications because of the additional size of the water-stabilizing surface coat. Extending previous work, we finally also show that parallel four color multicolor (MC)-SPT with QDs is possible at an image...

  11. Non-identical particle femtoscopy in models with single freeze-out

    International Nuclear Information System (INIS)

    Kisiel, Adam

    2007-01-01

    We present femtoscopic results from hydrodynamics-inspired thermal models with single freeze-out. Non-identical particle femtoscopy is studied and compared to results of identical particle correlations. Special emphasis is put on shifts between average space-time emission points of non-identical particles of different masses. They are found to be sensitive to both the spatial shift coming from radial flow, as well as average emission time difference coming from the resonance decays. The Terminator Monte-Carlo program was chosen for this study because it realistically models both of these effects. In order to analyze the results we present and test the methodology of non-identical particle correlations. (author)

  12. Single-particle stochastic heat engine

    Science.gov (United States)

    Rana, Shubhashis; Pal, P. S.; Saha, Arnab; Jayannavar, A. M.

    2014-10-01

    We have performed an extensive analysis of a single-particle stochastic heat engine constructed by manipulating a Brownian particle in a time-dependent harmonic potential. The cycle consists of two isothermal steps at different temperatures and two adiabatic steps similar to that of a Carnot engine. The engine shows qualitative differences in inertial and overdamped regimes. All the thermodynamic quantities, including efficiency, exhibit strong fluctuations in a time periodic steady state. The fluctuations of stochastic efficiency dominate over the mean values even in the quasistatic regime. Interestingly, our system acts as an engine provided the temperature difference between the two reservoirs is greater than a finite critical value which in turn depends on the cycle time and other system parameters. This is supported by our analytical results carried out in the quasistatic regime. Our system works more reliably as an engine for large cycle times. By studying various model systems, we observe that the operational characteristics are model dependent. Our results clearly rule out any universal relation between efficiency at maximum power and temperature of the baths. We have also verified fluctuation relations for heat engines in time periodic steady state.

  13. Temperature dependence of single-particle properties in nuclear matter

    International Nuclear Information System (INIS)

    Zuo, W.; Lu, G.C.; Li, Z.H.; Lombardo, U.; Schulze, H.-J.

    2006-01-01

    The single-nucleon potential in hot nuclear matter is investigated in the framework of the Brueckner theory by adopting the realistic Argonne V 18 or Nijmegen 93 two-body nucleon-nucleon interaction supplemented by a microscopic three-body force. The rearrangement contribution to the single-particle potential induced by the ground state correlations is calculated in terms of the hole-line expansion of the mass operator and provides a significant repulsive contribution in the low-momentum region around and below the Fermi surface. Increasing temperature leads to a reduction of the effect, while increasing density makes it become stronger. The three-body force suppresses somewhat the ground state correlations due to its strong short-range repulsion, increasing with density. Inclusion of the three-body force contribution results in a quite different temperature dependence of the single-particle potential at high enough densities as compared to that adopting the pure two-body force. The effects of three-body force and ground state correlations on the nucleon effective mass are also discussed

  14. Double-slit experiment with single wave-driven particles and its relation to quantum mechanics.

    Science.gov (United States)

    Andersen, Anders; Madsen, Jacob; Reichelt, Christian; Rosenlund Ahl, Sonja; Lautrup, Benny; Ellegaard, Clive; Levinsen, Mogens T; Bohr, Tomas

    2015-07-01

    In a thought-provoking paper, Couder and Fort [Phys. Rev. Lett. 97, 154101 (2006)] describe a version of the famous double-slit experiment performed with droplets bouncing on a vertically vibrated fluid surface. In the experiment, an interference pattern in the single-particle statistics is found even though it is possible to determine unambiguously which slit the walking droplet passes. Here we argue, however, that the single-particle statistics in such an experiment will be fundamentally different from the single-particle statistics of quantum mechanics. Quantum mechanical interference takes place between different classical paths with precise amplitude and phase relations. In the double-slit experiment with walking droplets, these relations are lost since one of the paths is singled out by the droplet. To support our conclusions, we have carried out our own double-slit experiment, and our results, in particular the long and variable slit passage times of the droplets, cast strong doubt on the feasibility of the interference claimed by Couder and Fort. To understand theoretically the limitations of wave-driven particle systems as analogs to quantum mechanics, we introduce a Schrödinger equation with a source term originating from a localized particle that generates a wave while being simultaneously guided by it. We show that the ensuing particle-wave dynamics can capture some characteristics of quantum mechanics such as orbital quantization. However, the particle-wave dynamics can not reproduce quantum mechanics in general, and we show that the single-particle statistics for our model in a double-slit experiment with an additional splitter plate differs qualitatively from that of quantum mechanics.

  15. Double-slit experiment with single wave-driven particles and its relation to quantum mechanics

    Science.gov (United States)

    Andersen, Anders; Madsen, Jacob; Reichelt, Christian; Rosenlund Ahl, Sonja; Lautrup, Benny; Ellegaard, Clive; Levinsen, Mogens T.; Bohr, Tomas

    2015-07-01

    In a thought-provoking paper, Couder and Fort [Phys. Rev. Lett. 97, 154101 (2006), 10.1103/PhysRevLett.97.154101] describe a version of the famous double-slit experiment performed with droplets bouncing on a vertically vibrated fluid surface. In the experiment, an interference pattern in the single-particle statistics is found even though it is possible to determine unambiguously which slit the walking droplet passes. Here we argue, however, that the single-particle statistics in such an experiment will be fundamentally different from the single-particle statistics of quantum mechanics. Quantum mechanical interference takes place between different classical paths with precise amplitude and phase relations. In the double-slit experiment with walking droplets, these relations are lost since one of the paths is singled out by the droplet. To support our conclusions, we have carried out our own double-slit experiment, and our results, in particular the long and variable slit passage times of the droplets, cast strong doubt on the feasibility of the interference claimed by Couder and Fort. To understand theoretically the limitations of wave-driven particle systems as analogs to quantum mechanics, we introduce a Schrödinger equation with a source term originating from a localized particle that generates a wave while being simultaneously guided by it. We show that the ensuing particle-wave dynamics can capture some characteristics of quantum mechanics such as orbital quantization. However, the particle-wave dynamics can not reproduce quantum mechanics in general, and we show that the single-particle statistics for our model in a double-slit experiment with an additional splitter plate differs qualitatively from that of quantum mechanics.

  16. Chemical compositions of subway particles in Seoul, Korea determined by a quantitative single particle analysis.

    Science.gov (United States)

    Kang, Sunni; Hwang, HeeJin; Park, YooMyung; Kim, HyeKyoung; Ro, Chul-Un

    2008-12-15

    A novel single particle analytical technique, low-Z particle electron probe X-ray microanalysis, was applied to characterize seasonal subway samples collected at a subway station in Seoul, Korea. For all 8 samples collected twice in each season, 4 major types of subway particles, based on their chemical compositions, are significantly encountered: Fe-containing; soil-derived; carbonaceous; and secondary nitrate and/or sulfate particles. Fe-containing particles are generated indoors from wear processes at rail-wheel-brake interfaces while the others may be introduced mostly from the outdoor urban atmosphere. Fe-containing particles are the most frequently encountered with relative abundances in the range of 61-79%. In this study, it is shown that Fe-containing subway particles almost always exist either as partially or fully oxidized forms in underground subway microenvironments. Their relative abundances of Fe-containing particles increase as particle sizes decrease. Relative abundances of Fe-containing particles are higher in morning samples than in afternoon samples because of heavier train traffic in the morning. In the summertime samples, Fe-containing particles are the most abundantly encountered, whereas soil-derived and nitrate/sulfate particles are the least encountered, indicating the air-exchange between indoor and outdoor environments is limited in the summer, owing to the air-conditioning in the subway system. In our work, it was observed that the relative abundances of the particles of outdoor origin vary somewhat among seasonal samples to a lesser degree, reflecting that indoor emission sources predominate.

  17. Damping of unbound single-particle modes

    Energy Technology Data Exchange (ETDEWEB)

    Fortier, S.; Beaumel, D.; Gales, S.; Guillot, J.; Langevin-Joliot, H.; Laurent, H.; Maison, J.M.; Bordewijk, J.; Brandenburg, S.; Krasznahorkay, A.; Crawley, G.M.; Massolo, C.P.; Renteria, M.; Khendriche, A. [Institut de Physique Nucleaire, IN2P3-CNRS, 91406 Orsay Cedex (France)]|[Kernfysisch Versneller Instituut, 9747 AA Groningen (Netherlands)]|[Nuclear Research Institute, Debrecen P.O. Box 51, H-4001 (Hungary)]|[NSCL, Michigan State University, East Lansing, Michigan 48824 (United States)]|[Dep. Fisica, Fac. Cs. Exactas, UNLP, CC Nio 67, 1900 La Plata (Argentina)]|[Institut de Sciences Exactes,Universite de Tizi-Ouzou, 15000 Tizi-Ouzou (Algeria)

    1995-11-01

    The ({alpha},{sup 3}He-{ital n}) reaction has been investigated at 120 MeV incident energy on {sup 64}Ni, {sup 90}Zr, and {sup 120}Sn target nuclei. Neutrons in coincidence with {sup 3}He particles emitted at 0{degree} were detected using the multidetector array EDEN, in order to get information about the decay of single-particle states embedded in the ({alpha},{sup 3}He) continuum. Neutron angular correlations, multiplicity values, and branching ratios to low-lying states of the final nuclei have been compared with the predictions of the statistical decay model. Evidence for a significant nonstatistical decay branch has been observed in the three nuclei below about 15 MeV excitation energy. Direct branching ratios in {sup 91}Zr deduced from this analysis are compared with the predictions of two nuclear structure models. At higher excitation energy, the decay characteristics of the ({alpha},{sup 3}He) continuum are shown to be mainly statistical.

  18. An algebraic approach for a charged particle in a certain magnetic field

    International Nuclear Information System (INIS)

    Setare, Mohammad R; Olfati, Ghafar

    2007-01-01

    The properties of the charged particle in a certain varying magnetic field are outlined. A realization of the creation and annihilation operators for the wavefunctions is studied. It is shown that these operators satisfy the commutation relation of an SU(1,1) group. The closed analytical expressions for the matrix elements of different function ρ and ρ(d/dρ) are evaluated

  19. Many-particle interference beyond many-boson and many-fermion statistics

    International Nuclear Information System (INIS)

    Tichy, Malte C; Tiersch, Markus; Mintert, Florian; Buchleitner, Andreas

    2012-01-01

    Identical particles exhibit correlations even in the absence of inter-particle interaction, due to the exchange (anti)symmetry of the many-particle wavefunction. Two fermions obey the Pauli principle and anti-bunch, whereas two bosons favor bunched, doubly occupied states. Here, we show that the collective interference of three or more particles leads to much more diverse behavior than expected from the boson–fermion dichotomy known from quantum statistical mechanics. The emerging complexity of many-particle interference is tamed by a simple law for the strict suppression of events in the Bell multiport beam splitter. The law shows that counting events are governed by widely species-independent interference, such that bosons and fermions can even exhibit identical interference signatures, while their statistical character remains subordinate. Recent progress in the preparation of tailored many-particle states of bosonic and fermionic atoms promises experimental verification and applications in novel many-particle interferometers. (paper)

  20. Decay properties of high-lying single-particles modes

    NARCIS (Netherlands)

    Beaumel, D; Fortier, S; Gales, S; Guillot, J; LangevinJoliot, H; Laurent, H; Maison, JM; Vernotte, J; Bordewijck, J; Brandenburg, S; Krasznahorkay, A; Crawley, GM; Massolo, CP; Renteria, M; Khendriche, A

    1996-01-01

    The neutron decay of high-lying single-particle states in Ni-64, Zr-90, Sn-120 and (208)pb excited by means of the (alpha,He-3) reaction has been investigated at 120 MeV incident energy using the multidetector EDEN. The characteristics of this reaction are studied using inclusive spectra and angular

  1. Determining Complex Structures using Docking Method with Single Particle Scattering Data

    Directory of Open Access Journals (Sweden)

    Haiguang Liu

    2017-04-01

    Full Text Available Protein complexes are critical for many molecular functions. Due to intrinsic flexibility and dynamics of complexes, their structures are more difficult to determine using conventional experimental methods, in contrast to individual subunits. One of the major challenges is the crystallization of protein complexes. Using X-ray free electron lasers (XFELs, it is possible to collect scattering signals from non-crystalline protein complexes, but data interpretation is more difficult because of unknown orientations. Here, we propose a hybrid approach to determine protein complex structures by combining XFEL single particle scattering data with computational docking methods. Using simulations data, we demonstrate that a small set of single particle scattering data collected at random orientations can be used to distinguish the native complex structure from the decoys generated using docking algorithms. The results also indicate that a small set of single particle scattering data is superior to spherically averaged intensity profile in distinguishing complex structures. Given the fact that XFEL experimental data are difficult to acquire and at low abundance, this hybrid approach should find wide applications in data interpretations.

  2. Single particle and molecular assembly analysis of polyribosomes by single- and double-tilt cryo electron tomography

    Energy Technology Data Exchange (ETDEWEB)

    Myasnikov, Alexander G. [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Department of Integrative Structural Biology, Centre National de la Recherche Scientifique (CNRS) UMR 7104/ Institut National de la Santé de la Recherche Médicale INSERM U964/ Université de Strasbourg, 1 rue Laurent Fries, 67404 Illkirch (France); Afonina, Zhanna A. [Institute of Protein Research, Russian Academy of Sciences, 142290 Pushchino, Moscow Region (Russian Federation); Klaholz, Bruno P., E-mail: klaholz@igbmc.fr [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Department of Integrative Structural Biology, Centre National de la Recherche Scientifique (CNRS) UMR 7104/ Institut National de la Santé de la Recherche Médicale INSERM U964/ Université de Strasbourg, 1 rue Laurent Fries, 67404 Illkirch (France)

    2013-03-15

    Cryo electron tomography (cryo-ET) can provide cellular and molecular structural information on various biological samples. However, the detailed interpretation of tomograms reconstructed from single-tilt data tends to suffer from low signal-to-noise ratio and artefacts caused by some systematically missing angular views. While these can be overcome by sub-tomogram averaging, they remain limiting for the analysis of unique structures. Double-tilt ET can improve the tomogram quality by acquiring a second tilt series after an in-plane rotation, but its usage is not widespread yet because it is considered technically demanding and it is rarely used under cryo conditions. Here we show that double-tilt cryo-ET improves the quality of 3D reconstructions so significantly that even single particle analysis can be envisaged despite of the intrinsically low image contrast obtained from frozen-hydrated specimens. This is illustrated by the analysis of eukaryotic polyribosomes in which individual ribosomes were reconstructed using single-tilt, partial and full double-tilt geometries. The improved tomograms favour the faster convergence of iterative sub-tomogram averaging and allow a better 3D classification using multivariate statistical analysis. Our study of single particles and molecular assemblies within polysomes illustrates that the dual-axis approach is particularly useful for cryo applications of ET, both for unique objects and for structures that can be classified and averaged. - Highlights: ► Double-tilt cryo-ET improves 3D reconstructions thus making single particle analysis possible. ► Dual-axis cryo-ET data favour a faster convergence of iterative sub-tomogram averaging. ► Individual ribosomes were reconstructed from single-tilt, partial/ full double-tilt geometries. ► Double-tilt cryo-ET facilitates analysis of larger molecular assemblies such as in cell sections. ► Dual-axis cryo-ET is applicable to unique objects and to structures that can be

  3. A new seniority scheme for non-degenerate single particle orbits

    International Nuclear Information System (INIS)

    Otsuka, T.; Arima, A.

    1978-01-01

    A new method is proposed in the treatment of the seniority scheme. The method enables one to evaluate analytically the contribution from J = 0 Cooper pairs in non-degenerate single-particle orbits to many-body matrix elements. It includes the SU(2) quasi-spin and the BCS approximation as two extreme limits. The effect of particle number conservation is properly taken into account. (Auth.)

  4. Single-Particle States in $^{133}$Sn

    CERN Multimedia

    Huck, A

    2002-01-01

    % IS338 \\\\ \\\\ It is suggested to investigate the $\\beta^- $-decay of $^{133}$In and $^{134}$In in order to determine the single-particle states in $^{133}$Sn, which are so far unknown and needed for the shell-model description of the region close to $^{132}$Sn. Large hyper-pure Ge-detectors will be used for the $\\gamma$-ray spectroscopy. In the experiments with $^{134}$In, delayed neutrons in coincidence with $\\gamma$-rays from excited states in $^{133}$Sn provide the opportunity for a very selective detection of the states in question.

  5. Single-particle characterization of urban aerosol particles collected in three Korean cites using low-Z electron probe X-ray microanalysis.

    Science.gov (United States)

    Ro, Chul-Un; Kim, HyeKyeong; Oh, Keun-Young; Yea, Sun Kyung; Lee, Chong Bum; Jang, Meongdo; Van Grieken, René

    2002-11-15

    A recently developed single-particle analytical technique, called low-Z electron probe X-ray microanalysis (low-Z EPMA), was applied to characterize urban aerosol particles collected in three cities of Korea (Seoul, CheongJu, and ChunCheon) on single days in the winter of 1999. In this study, it is clearly demonstrated that the low-Z EPMA technique can provide detailed and quantitative information on the chemical composition of particles in the urban atmosphere. The collected aerosol particles were analyzed and classified on the basis of their chemical species. Various types of particles were identified, such as soil-derived, carbonaceous, marine-originated, and anthropogenic particles. In the sample collected in Seoul, carbonaceous, aluminosilicates, silicon dioxide, and calcium carbonate aerosol particles were abundantly encountered. In the CheongJu and ChunCheon samples, carbonaceous, aluminosilicates, reacted sea salts, and ammonium sulfate aerosol particles were often seen. However, in the CheongJu sample, ammonium sulfate particles were the most abundant in the fine fraction. Also, calcium sulfate and nitrate particles were significantly observed. In the ChunCheon sample, organic particles were the most abundant in the fine fraction. Also, sodium nitrate particles were seen at high levels. The ChunCheon sample seemed to be strongly influenced by sea-salt aerosols originating from the Yellow Sea, which is located about 115 km away from the city.

  6. Experimental Study on Effects of Particle Shape and Operating Conditions on Combustion Characteristics of Single Biomass Particles

    DEFF Research Database (Denmark)

    Momeni, M.; Yin, Chungen; Kær, Søren Knudsen

    2013-01-01

    An experimental study is performed to investigate the ignition, devolatilization, and burnout of single biomass particles of various shapes and sizes under process conditions that are similar to those in an industrial combustor. A chargecoupled device (CCD) camera is used to record the whole...... combustion process. For the particles with similar volume (mass), cylindrical particles are found to lose mass faster than spherical particles and the burnout time is shortened by increasing the particle aspect ratio (surface area). The conversion times of cylindrical particles with almost the same surface...... area/volume ratio are very close to each other. The ignition, devolatilization, and burnout times of cylindrical particles are also affected by the oxidizer temperature and oxygen concentration, in which the oxygen concentration is found to have a more pronounced effect on the conversion times at lower...

  7. The single scattering properties of the aerosol particles as aggregated spheres

    International Nuclear Information System (INIS)

    Wu, Y.; Gu, X.; Cheng, T.; Xie, D.; Yu, T.; Chen, H.; Guo, J.

    2012-01-01

    The light scattering and absorption properties of anthropogenic aerosol particles such as soot aggregates are complicated in the temporal and spatial distribution, which introduce uncertainty of radiative forcing on global climate change. In order to study the single scattering properties of anthorpogenic aerosol particles, the structures of these aerosols such as soot paticles and soot-containing mixtures with the sulfate or organic matter, are simulated using the parallel diffusion limited aggregation algorithm (DLA) based on the transmission electron microscope images (TEM). Then, the single scattering properties of randomly oriented aerosols, such as scattering matrix, single scattering albedo (SSA), and asymmetry parameter (AP), are computed using the superposition T-matrix method. The comparisons of the single scattering properties of these specific types of clusters with different morphological and chemical factors such as fractal parameters, aspect ratio, monomer radius, mixture mode and refractive index, indicate that these different impact factors can respectively generate the significant influences on the single scattering properties of these aerosols. The results show that aspect ratio of circumscribed shape has relatively small effect on single scattering properties, for both differences of SSA and AP are less than 0.1. However, mixture modes of soot clusters with larger sulfate particles have remarkably important effects on the scattering and absorption properties of aggregated spheres, and SSA of those soot-containing mixtures are increased in proportion to the ratio of larger weakly absorbing attachments. Therefore, these complex aerosols come from man made pollution cannot be neglected in the aerosol retrievals. The study of the single scattering properties on these kinds of aggregated spheres is important and helpful in remote sensing observations and atmospheric radiation balance computations.

  8. Digital atom interferometer with single particle control on a discretized space-time geometry.

    Science.gov (United States)

    Steffen, Andreas; Alberti, Andrea; Alt, Wolfgang; Belmechri, Noomen; Hild, Sebastian; Karski, Michał; Widera, Artur; Meschede, Dieter

    2012-06-19

    Engineering quantum particle systems, such as quantum simulators and quantum cellular automata, relies on full coherent control of quantum paths at the single particle level. Here we present an atom interferometer operating with single trapped atoms, where single particle wave packets are controlled through spin-dependent potentials. The interferometer is constructed from a sequence of discrete operations based on a set of elementary building blocks, which permit composing arbitrary interferometer geometries in a digital manner. We use this modularity to devise a space-time analogue of the well-known spin echo technique, yielding insight into decoherence mechanisms. We also demonstrate mesoscopic delocalization of single atoms with a separation-to-localization ratio exceeding 500; this result suggests their utilization beyond quantum logic applications as nano-resolution quantum probes in precision measurements, being able to measure potential gradients with precision 5 x 10(-4) in units of gravitational acceleration g.

  9. Single particle characterization using a light scattering module coupled to a time-of-flight aerosol mass spectrometer

    Science.gov (United States)

    Cross, E. S.; Onasch, T. B.; Canagaratna, M.; Jayne, J. T.; Kimmel, J.; Yu, X.-Y.; Alexander, M. L.; Worsnop, D. R.; Davidovits, P.

    2008-12-01

    We present the first single particle results obtained using an Aerodyne time-of-flight aerosol mass spectrometer coupled with a light scattering module (LS-ToF-AMS). The instrument was deployed at the T1 ground site approximately 40 km northeast of the Mexico City Metropolitan Area (MCMA) as part of the MILAGRO field study in March of 2006. The instrument was operated as a standard AMS from 12-30 March, acquiring average chemical composition and size distributions for the ambient aerosol, and in single particle mode from 27-30 March. Over a 75-h sampling period, 12 853 single particle mass spectra were optically triggered, saved, and analyzed. The correlated optical and chemical detection allowed detailed examination of single particle collection and quantification within the LS-ToF-AMS. The single particle data enabled the mixing states of the ambient aerosol to be characterized within the context of the size-resolved ensemble chemical information. The particulate mixing states were examined as a function of sampling time and most of the particles were found to be internal mixtures containing many of the organic and inorganic species identified in the ensemble analysis. The single particle mass spectra were deconvolved, using techniques developed for ensemble AMS data analysis, into HOA, OOA, NH4NO3, (NH4)2SO4, and NH4Cl fractions. Average single particle mass and chemistry measurements are shown to be in agreement with ensemble MS and PTOF measurements. While a significant fraction of ambient particles were internal mixtures of varying degrees, single particle measurements of chemical composition allowed the identification of time periods during which the ambient ensemble was externally mixed. In some cases the chemical composition of the particles suggested a likely source. Throughout the full sampling period, the ambient ensemble was an external mixture of combustion-generated HOA particles from local sources (e.g. traffic), with number concentrations peaking

  10. Single-particle properties from Kohn-Sham Green's functions

    International Nuclear Information System (INIS)

    Bhattacharyya, Anirban; Furnstahl, R.J.

    2005-01-01

    An effective action approach to Kohn-Sham density functional theory is used to illustrate how the exact Green's function can be calculated in terms of the Kohn-Sham Green's function. An example based on Skyrme energy functionals shows that single-particle Kohn-Sham spectra can be improved by adding sources used to construct the energy functional

  11. Quasi-particle entanglement: redefinition of the vacuum and reduced density matrix approach

    International Nuclear Information System (INIS)

    Samuelsson, P; Sukhorukov, E V; Buettiker, M

    2005-01-01

    A scattering approach to entanglement in mesoscopic conductors with independent fermionic quasi-particles is discussed. We focus on conductors in the tunnelling limit, where a redefinition of the quasi-particle vacuum transforms the wavefunction from a many-body product state of non-interacting particles to a state describing entangled two-particle excitations out of the new vacuum (Samuelsson, Sukhorukov and Buettiker 2003 Phys. Rev. Lett. 91 157002). The approach is illustrated with two examples: (i) a normal-superconducting system, where the transformation is made between Bogoliubov-de Gennes quasi-particles and Cooper pairs, and (ii) a normal system, where the transformation is made between electron quasi-particles and electron-hole pairs. This is compared to a scheme where an effective two-particle state is derived from the manybody scattering state by a reduced density matrix approach

  12. Controlled and tunable polymer particles' production using a single microfluidic device

    Science.gov (United States)

    Amoyav, Benzion; Benny, Ofra

    2018-04-01

    Microfluidics technology offers a new platform to control liquids under flow in small volumes. The advantage of using small-scale reactions for droplet generation along with the capacity to control the preparation parameters, making microfluidic chips an attractive technology for optimizing encapsulation formulations. However, one of the drawback in this methodology is the ability to obtain a wide range of droplet sizes, from sub-micron to microns using a single chip design. In fact, typically, droplet chips are used for micron-dimension particles, while nanoparticles' synthesis requires complex chips design (i.e., microreactors and staggered herringbone micromixer). Here, we introduce the development of a highly tunable and controlled encapsulation technique, using two polymer compositions, for generating particles ranging from microns to nano-size using the same simple single microfluidic chip design. Poly(lactic-co-glycolic acid) (PLGA 50:50) or PLGA/polyethylene glycol polymeric particles were prepared with focused-flow chip, yielding monodisperse particle batches. We show that by varying flow rate, solvent, surfactant and polymer composition, we were able to optimize particles' size and decrease polydispersity index, using simple chip designs with no further related adjustments or costs. Utilizing this platform, which offers tight tuning of particle properties, could offer an important tool for formulation development and can potentially pave the way towards a better precision nanomedicine.

  13. Preliminary Understanding of Surface Plasmon-Enhanced Circular Dichroism Spectroscopy by Single Particle Imaging

    Science.gov (United States)

    Zhan, Kangshu

    Monitoring chiral optical signals of biomolecules as their conformation changes is an important means to study their structures, properties, and functions. Most measurements, however, are ensemble measurements because chiral optical signals from a single biomolecule is often too weak to be detected. In this dissertation, I present my early attempts to study conformational changes of adsorbed proteins by taking advantage of the enhanced electromagnetic (EM) field around a well-designed plasmonic nanofeature. In particular, I discuss the detection of protein adsorption and denaturation on metallic nanoparticles using single particle scattering and CD spectroscopic imaging. Particles of two distinctively different sizes were compared and two different sample protein molecules were studied. A combination of experimental and computational tools was used to simulate and interpret the collected scattering and CD results. The first chapter provides a brief overview of the state-of-art research in CD spectroscopic studies at the single particle level. Three different means to make particles capable of chiral detection are discussed. Various applications beyond single particle imaging are presented to showcase the potential of the described research project, beyond our immediate goals. The second chapter describes my initial characterization of large, metallic, anisotropic nanorods and the establishment of experimental procedures used later for spectrum reconstruction, data visualization and analysis. The physical shape and structure of the particles were imaged by scanning electron microscopy (SEM), the chemical composition by energy dispersive X-ray Spectroscopy (EDS), and the optical properties by darkfield microscopy. An experimental protocol was developed to connect information collected from separate techniques for the same particle, with the aims of discovering any possible structural-property correlation. The reproducibility of the single particle imaging method was

  14. Simulating Biomass Fast Pyrolysis at the Single Particle Scale

    Energy Technology Data Exchange (ETDEWEB)

    Ciesielski, Peter [National Renewable Energy Laboratory (NREL); Wiggins, Gavin [ORNL; Daw, C Stuart [ORNL; Jakes, Joseph E. [U.S. Forest Service, Forest Products Laboratory, Madison, Wisconsin, USA

    2017-07-01

    Simulating fast pyrolysis at the scale of single particles allows for the investigation of the impacts of feedstock-specific parameters such as particle size, shape, and species of origin. For this reason particle-scale modeling has emerged as an important tool for understanding how variations in feedstock properties affect the outcomes of pyrolysis processes. The origins of feedstock properties are largely dictated by the composition and hierarchical structure of biomass, from the microstructural porosity to the external morphology of milled particles. These properties may be accounted for in simulations of fast pyrolysis by several different computational approaches depending on the level of structural and chemical complexity included in the model. The predictive utility of particle-scale simulations of fast pyrolysis can still be enhanced substantially by advancements in several areas. Most notably, considerable progress would be facilitated by the development of pyrolysis kinetic schemes that are decoupled from transport phenomena, predict product evolution from whole-biomass with increased chemical speciation, and are still tractable with present-day computational resources.

  15. Covariant spinor representation of iosp(d,2/2) and quantization of the spinning relativistic particle

    Energy Technology Data Exchange (ETDEWEB)

    Jarvis, P.D.; Corney, S.P.; Tsohantjis, I. [School of Mathematics and Physics, University of Tasmania, Hobart Tas (Australia)

    1999-12-03

    A covariant spinor representation of iosp(d,2/2) is constructed for the quantization of the spinning relativistic particle. It is found that, with appropriately defined wavefunctions, this representation can be identified with the state space arising from the canonical extended BFV-BRST quantization of the spinning particle with admissible gauge fixing conditions after a contraction procedure. For this model, the cohomological determination of physical states can thus be obtained purely from the representation theory of the iosp(d,2/2) algebra. (author)

  16. Single particle aerosol mass spectrometry of coal combustion particles associated with high lung cancer rates in Xuanwei and Fuyuan, China.

    Science.gov (United States)

    Lu, Senlin; Tan, Zhengying; Liu, Pinwei; Zhao, Hui; Liu, Dingyu; Yu, Shang; Cheng, Ping; Win, Myat Sandar; Hu, Jiwen; Tian, Linwei; Wu, Minghong; Yonemochi, Shinich; Wang, Qingyue

    2017-11-01

    Coal combustion particles (CCPs) are linked to the high incidence of lung cancer in Xuanwei and in Fuyuan, China, but studies on the chemical composition of the CCPs are still limited. Single particle aerosol mass spectrometry (SPAMS) was recently developed to measure the chemical composition and size of single particles in real-time. In this study, SPAMS was used to measure individual combustion particles emitted from Xuanwei and Fuyuan coal samples and the results were compared with those by ICP-MS and transmission electron microscopy (TEM). The total of 38,372 particles mass-analyzed by SPAMS can be divided into 9 groups based on their chemical composition and their number percentages: carbonaceous, Na-rich, K-rich, Al-rich, Fe-rich, Si-rich, Ca-rich, heavy metal-bearing, and PAH-bearing particles. The carbonaceous and PAH-bearing particles are enriched in the size range below 0.56 μm, Fe-bearing particles range from 0.56 to 1.0 μm in size, and heavy metals such as Ti, V, Cr, Cu, Zn, and Pb have diameters below 1 μm. The TEM results show that the particles from Xuanwei and Fuyuan coal combustion can be classified into soot aggregates, Fe-rich particles, heavy metal containing particles, and mineral particles. Non-volatile particles detected by SPAMS could also be observed with TEM. The number percentages by SPAMS also correlate with the mass concentrations measured by ICP-MS. Our results could provide valuable insight for understanding high lung cancer incidence in the area. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Source characterization of urban particles from meat smoking activities in Chongqing, China using single particle aerosol mass spectrometry.

    Science.gov (United States)

    Chen, Yang; Wenger, John C; Yang, Fumo; Cao, Junji; Huang, Rujin; Shi, Guangming; Zhang, Shumin; Tian, Mi; Wang, Huanbo

    2017-09-01

    A Single Particle Aerosol Mass Spectrometer (SPAMS) was deployed in the urban area of Chongqing to characterize the particles present during a severe particulate pollution event that occurred in winter 2014-2015. The measurements were made at a time when residents engaged in traditional outdoor meat smoking activities to preserve meat before the Chinese Spring Festival. The measurement period was predominantly characterized by stagnant weather conditions, highly elevated levels of PM 2.5 , and low visibility. Eleven major single particle types were identified, with over 92.5% of the particles attributed to biomass burning emissions. Most of the particle types showed appreciable signs of aging in the stagnant air conditions. To simulate the meat smoking activities, a series of controlled smoldering experiments was conducted using freshly cut pine and cypress branches, both with and without wood logs. SPAMS data obtained from these experiments revealed a number of biomass burning particle types, including an elemental and organic carbon (ECOC) type that proved to be the most suitable marker for meat smoking activities. The traditional activity of making preserved meat in southwestern China is shown here to be a major source of particulate pollution. Improved measures to reduce emissions from the smoking of meat should be introduced to improve air quality in regions where smoking meat activity prevails. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Development of a Charged Particle Microbeam for Single-Particle Subcellular Irradiations at the MIT Laboratory for Accelerator Beam Application

    International Nuclear Information System (INIS)

    Yanch, Jacquelyn C.

    2004-01-01

    The development of a charged particle microbeam for single particle, subcellular irradiations at the Massachusetts Institute of Technology Laboratory for Accelerator Beam Applications (MIT LABA) was initiated under this NEER aeard. The Microbeam apparatus makes use of a pre-existing electrostatic accelerator with a horizontal beam tube

  19. Online single particle analysis of ice particle residuals from mountain-top mixed-phase clouds using laboratory derived particle type assignment

    Science.gov (United States)

    Schmidt, Susan; Schneider, Johannes; Klimach, Thomas; Mertes, Stephan; Schenk, Ludwig Paul; Kupiszewski, Piotr; Curtius, Joachim; Borrmann, Stephan

    2017-01-01

    In situ single particle analysis of ice particle residuals (IPRs) and out-of-cloud aerosol particles was conducted by means of laser ablation mass spectrometry during the intensive INUIT-JFJ/CLACE campaign at the high alpine research station Jungfraujoch (3580 m a.s.l.) in January-February 2013. During the 4-week campaign more than 70 000 out-of-cloud aerosol particles and 595 IPRs were analyzed covering a particle size diameter range from 100 nm to 3 µm. The IPRs were sampled during 273 h while the station was covered by mixed-phase clouds at ambient temperatures between -27 and -6 °C. The identification of particle types is based on laboratory studies of different types of biological, mineral and anthropogenic aerosol particles. The outcome of these laboratory studies was characteristic marker peaks for each investigated particle type. These marker peaks were applied to the field data. In the sampled IPRs we identified a larger number fraction of primary aerosol particles, like soil dust (13 ± 5 %) and minerals (11 ± 5 %), in comparison to out-of-cloud aerosol particles (2.4 ± 0.4 and 0.4 ± 0.1 %, respectively). Additionally, anthropogenic aerosol particles, such as particles from industrial emissions and lead-containing particles, were found to be more abundant in the IPRs than in the out-of-cloud aerosol. In the out-of-cloud aerosol we identified a large fraction of aged particles (31 ± 5 %), including organic material and secondary inorganics, whereas this particle type was much less abundant (2.7 ± 1.3 %) in the IPRs. In a selected subset of the data where a direct comparison between out-of-cloud aerosol particles and IPRs in air masses with similar origin was possible, a pronounced enhancement of biological particles was found in the IPRs.

  20. Experimental study of single-particle inclusive hadron scattering and associated multiplicities

    International Nuclear Information System (INIS)

    Brenner, A.E.; Carey, D.C.; Elias, J.E.; Garbincius, P.H.; Mikenberg, G.; Polychronakos, V.A.; Aitkenhead, W.; Barton, D.S.; Brandenburg, G.W.; Busza, W.; Dobrowolski, T.; Friedman, J.I.; Kendall, H.W.; Lyons, T.; Nelson, B.; Rosenson, L.; Toy, W.; Verdier, R.; Votta, L.; Chiaradia, M.T.; DeMarzo, C.; Favuzzi, C.; Germinario, G.; Guerriero, L.; LaVopa, P.; Maggi, G.; Posa, F.; Selvaggi, G.; Spinelli, P.; Waldner, F.; Meunier, R.; Cutts, D.; Dulude, R.S.; Lanou, R.E. Jr.; Massimo, J.T.

    1982-01-01

    An experiment using the Fermilab single arm spectrometer (SAS) facility and an associated nonmagnetic vertex detector studied the reactions a+p→c+X where a and c were π +- , K +- , p, or p-bar. Extensive measurements were made at 100 and 175 GeV/c beam momenta with the outgoing hadrons detected in the SAS covering a kinematic range 0.12< x<1.0 and p/sub T/<1.25 GeV/c. Additional data covering a more restricted range in x were also gathered at 70 GeV/c incident momentum. In this high-statistics experiment, the identification of both the incoming and outgoing charged hadrons were made with a total of eight Cerenkov counters. New and extensive single-particle inclusive data for charged-particle production in low-p/sub T/ hadronic fragmentation are presented. The average associated charged-particle multiplicity and pseudorapidity distributions are also given

  1. Single molecule experiments challenge the strict wave-particle dualism of light.

    Science.gov (United States)

    Greulich, Karl Otto

    2010-01-21

    Single molecule techniques improve our understanding of the photon and light. If the single photon double slit experiment is performed at the "single photon limit" of a multi-atom light source, faint light pulses with more than one photon hamper the interpretation. Single molecules, quantum dots or defect centres in crystals should be used as light source. "Single photon detectors" do not meet their promise-only "photon number resolving single photon detectors" do so. Particularly, the accumulation time argument, the only safe basis for the postulate of a strictly particle like photon, has so far not yet been verified.

  2. Single-crystalline spherical β-Ga2O3 particles: Synthesis, N-doping and photoluminescence properties

    International Nuclear Information System (INIS)

    Zhang, Tingting; Lin, Jing; Zhang, Xinghua; Huang, Yang; Xu, Xuewen; Xue, Yanming; Zou, Jin; Tang, Chengchun

    2013-01-01

    We report on the synthesis of single-crystalline spherical β-Ga 2 O 3 particles by a simple method in ambient atmosphere. No pre-treatment, catalyst, substrate, or gas flow was required during the synthesis process. The well-dispersed Ga 2 O 3 particles display uniform spherical morphology with an average diameter of ∼200 nm. Photoluminescence studies indicate that the Ga 2 O 3 particles exhibit a broad blue-green light emission and an interesting red light emission at room temperature. The red light emission can be further tuned by post-annealing of the particles in ammonia atmosphere. The present single-crystalline β-Ga 2 O 3 particles with spherical morphology, uniform sub-micrometer sizes and tunable light emission are envisaged to be of high promise for applications in white-LED phosphors and optoelectronic devices. -- Highlights: ► We prepared single-crystalline spherical β-Ga 2 O 3 particles in ambient atmosphere. ► The particles display uniform spherical morphology with an average diameter of ∼200 nm. ► The Ga 2 O 3 particles exhibit a broad blue-green light and an interesting red light emission. ► The red light emission can be further tuned by post-annealing of the particles

  3. Characterizing physical properties and heterogeneous chemistry of single particles in air using optical trapping-Raman spectroscopy

    Science.gov (United States)

    Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.

    2017-12-01

    Heterogeneous reactions of solid particles in a gaseous environment are of increasing interest; however, most of the heterogeneous chemistry studies of airborne solids were conducted on particle ensembles. A close examination on the heterogeneous chemistry between single particles and gaseous-environment species is the key to elucidate the fundamental mechanisms of hydroscopic growth, cloud nuclei condensation, secondary aerosol formation, etc., and reduce the uncertainty of models in radiative forcing, climate change, and atmospheric chemistry. We demonstrate an optical trapping-Raman spectroscopy (OT-RS) system to study the heterogeneous chemistry of the solid particles in air at single-particle level. Compared to other single-particle techniques, optical trapping offers a non-invasive, flexible, and stable method to isolate single solid particle from substrates. Benefited from two counter-propagating hollow beams, the optical trapping configuration is adaptive to trap a variety of particles with different materials from inorganic substitution (carbon nanotubes, silica, etc.) to organic, dye-doped polymers and bioaerosols (spores, pollen, etc.), with different optical properties from transparent to strongly absorbing, with different sizes from sub-micrometers to tens of microns, or with distinct morphologies from loosely packed nanotubes to microspheres and irregular pollen grains. The particles in the optical trap may stay unchanged, surface degraded, or optically fragmented according to different laser intensity, and their physical and chemical properties are characterized by the Raman spectra and imaging system simultaneously. The Raman spectra is able to distinguish the chemical compositions of different particles, while the synchronized imaging system can resolve their physical properties (sizes, shapes, morphologies, etc.). The temporal behavior of the trapped particles also can be monitored by the OT-RS system at an indefinite time with a resolution from

  4. Particles Produced in Association with High Transverse Momentum Single Photons and $\\pi^0$s in Hadronic Collision

    Energy Technology Data Exchange (ETDEWEB)

    Sinanidis, Alexandros Pericles [Northeastern U.

    1989-01-01

    The charged and neutral particles produced in association with high transverse momentum ($Pr_{\\tau}$ > 5.0 GeV /c) photons ($\\gamma$) and neutral pions ($\\pi^0$) in p(Cu+Be) and $\\pi^-$(cu+Be) collisions at vs = 31.5 GeV are studied in this thesis. It was observed that 1) The relative rapidity of the two highest Pr recoiling particles in the events have a jet - like structure. 2) The relative rapidity of the single $\\gamma$ (or $\\pi^0$ ) and the highest $P_{\\tau}$ charged particle accompanying the single $\\gamma$ (or $\\pi^0$ ) show that the high $P_{\\tau} \\pi^0$ events have a jet - like structure in the trigger hemisphere whereas the high $P_{\\tau}$ single $\\gamma$ events do not. 3) The angular distributions of the particles produced in the reactions show that high $P_{\\tau} \\pi^0$s are accompanied by other particles, whereas high $P_{\\tau}$ single photons are relatively isolated. 4) The fragmentation distributions of the recoiling particles from the high $P_{\\tau}$ single photons and $\\pi^0$s are consistent with the measurements of other experiments. 5) The recoiling particles are consistent with the fragmentation of either a quark or a gluon according to the QCD (Quantum Chromodynamics). In summary, particles produced in association with high transverse momentum single photons and $\\pi^0$s in hadronic collisions have been measured and their properties are in good agreement with the predictions of the parton model and those of QCD

  5. A database of microwave and sub-millimetre ice particle single scattering properties

    Science.gov (United States)

    Ekelund, Robin; Eriksson, Patrick

    2016-04-01

    Ice crystal particles are today a large contributing factor as to why cold-type clouds such as cirrus remain a large uncertainty in global climate models and measurements. The reason for this is the complex and varied morphology in which ice particles appear, as compared to liquid droplets with an in general spheroidal shape, thus making the description of electromagnetic properties of ice particles more complicated. Single scattering properties of frozen hydrometers have traditionally been approximated by representing the particles as spheres using Mie theory. While such practices may work well in radio applications, where the size parameter of the particles is generally low, comparisons with measurements and simulations show that this assumption is insufficient when observing tropospheric cloud ice in the microwave or sub-millimetre regions. In order to assist the radiative transfer and remote sensing communities, a database of single scattering properties of semi-realistic particles is being produced. The data is being produced using DDA (Discrete Dipole Approximation) code which can treat arbitrarily shaped particles, and Tmatrix code for simpler shapes when found sufficiently accurate. The aim has been to mainly cover frequencies used by the upcoming ICI (Ice Cloud Imager) mission with launch in 2022. Examples of particles to be included are columns, plates, bullet rosettes, sector snowflakes and aggregates. The idea is to treat particles with good average optical properties with respect to the multitude of particles and aggregate types appearing in nature. The database will initially only cover macroscopically isotropic orientation, but will eventually also include horizontally aligned particles. Databases of DDA particles do already exist with varying accessibility. The goal of this database is to complement existing data. Regarding the distribution of the data, the plan is that the database shall be available in conjunction with the ARTS (Atmospheric

  6. Fluorescent detection of single tracks of alpha particles using lithium fluoride crystals

    International Nuclear Information System (INIS)

    Bilski, P.; Marczewska, B.

    2017-01-01

    Lithium fluoride single crystals were successfully used for fluorescent imaging of single tracks of alpha particles. This was realized with a standard wide-field fluorescent microscope equipped with a 100× objective. Alpha particles create F_2 and F_3"+ color centers in LiF crystals. The subsequent illumination with the blue light (wavelength around 445 nm), excites these centers and produces fluorescence with a broad band peaked at 670 nm. The observed tracks of alpha particles have diameter of about 500 nm. Focusing of the microscope at different depths in a LiF crystal, enables imaging changes of shape and position of tracks, allowing for visualization of their paths. These encouraging results are the first step towards practical application of LiF as fluorescent nuclear track detectors.

  7. Single charging events on colloidal particles in a nonpolar liquid with surfactant

    Science.gov (United States)

    Schreuer, Caspar; Vandewiele, Stijn; Brans, Toon; Strubbe, Filip; Neyts, Kristiaan; Beunis, Filip

    2018-01-01

    Electrical charging of colloidal particles in nonpolar liquids due to surfactant additives is investigated intensively, motivated by its importance in a variety of applications. Most methods rely on average electrophoretic mobility measurements of many particles, which provide only indirect information on the charging mechanism. In the present work, we present a method that allows us to obtain direct information on the charging mechanism, by measuring the charge fluctuations on individual particles with a precision higher than the elementary charge using optical trapping electrophoresis. We demonstrate the capabilities of the method by studying the influence of added surfactant OLOA 11000 on the charging of single colloidal PMMA particles in dodecane. The particle charge and the frequency of charging events are investigated both below and above the critical micelle concentration (CMC) and with or without applying a DC offset voltage. It is found that at least two separate charging mechanisms are present below the critical micelle concentration. One mechanism is a process where the particle is stripped from negatively charged ionic molecules. An increase in the charging frequency with increased surfactant concentration suggests a second mechanism that involves single surfactant molecules. Above the CMC, neutral inverse micelles can also be involved in the charging process.

  8. Probing Single Nanometer-scale Particles with Scanning Tunneling Microscopy and Spectroscopies

    International Nuclear Information System (INIS)

    McCarty, G.S.; Love, J.C.; Kushmerick, J.G.; Charles, L.F.; Keating, C.D.; Toleno, B.J.; Lyn, M.E.; Castleman, A.W.; Natan, M.J.; Weiss, P.S.

    1999-01-01

    Scanning tunneling microscopy can be used to isolate single particles on surfaces for further study. Local optical and electronic properties coupled with topographic information collected by the scanning tunneling microscope (STM) give insight into the intrinsic properties of the species under study. Since each spectroscopic measurement is done on a single particle, each sample is 'monodisperse', regardless of the degree of heterogeneity of the original preparation. We illustrate this with three example systems - a metal cluster of known atomic structure, metal nanoparticles dispersed from colloid suspensions, and metallocarbohedrenes (Met-Cars) deposited with other reaction products. Au and Ag nanoparticles were imaged using a photon emission STM. The threshold voltage, the lowest bias voltage at which photons are produced, was determined for Au nanoparticles. Electronic spectra of small clusters of Ni atoms on MoS 2 were recorded. Preliminary images of Zr-based Met-Car-containing soot were obtained on Au and MoS 2 substrates and partial electronic spectra were recorded of these possible Met-Car particles

  9. Building the Nanoplasmonics Toolbox Through Shape Modeling and Single Particle Optical Studies

    Science.gov (United States)

    Ringe, Emilie

    Interest in nanotechnology is driven by unprecedented properties tailorability, achievable by controlling particle structure and composition. Unlike bulk components, minute changes in size and shape affect the optical and electronic properties of nanoparticles. Characterization of such structure-function relationships and better understanding of structure control mechanisms is crucial to the development of applications such as plasmonic sensors and devices. The objective of the current research is thus twofold: to theoretically predict and understand how shape is controlled by synthesis conditions, and to experimentally unravel, through single particle studies, how shape, composition, size, and surrounding environment affect plasmonic properties in noble metal particles. Quantitative, predictive rules and fundamental knowledge obtained from this research contributes to the "nanoplasmonics toolbox", a library designed to provide scientists and engineers the tools to create and optimize novel nanotechnology applications. In this dissertation, single particle approaches are developed and used to unravel the effects of size, shape, substrate, aggregation state and surrounding environment on the optical response of metallic nanoparticles. Ag and Au nanocubes on different substrates are first presented, followed by the discussion of the concept of plasmon length, a universal parameter to describe plasmon energy for a variety of particle shapes and plasmon modes. Plasmonic sensing (both refractive index sensing and surface-enhanced Raman spectroscopy) and polarization effects are then studied at the single particle level. In the last two Chapters, analytical shape models based on the Wulff construction provide unique modeling tools for alloy and kinetically grown nanoparticles. The former reveals a size-dependence of the shape of small alloy particles (such as those used in catalysis) because of surface segregation, while the latter uniquely models the shape of many

  10. Magnetization Reversal Process of Single Crystal α-Fe Containing a Nonmagnetic Particle

    International Nuclear Information System (INIS)

    Li Yi; Xu Ben; Li Qiu-Lin; Liu Wei; Hu Shen-Yang; Li Yu-Lan

    2015-01-01

    The magnetization reversal process and hysteresis loops in a single crystal α-iron with nonmagnetic particles are simulated in this work based on the Landau—Lifshitz—Gilbert equation. The evolutions of the magnetic domain morphology are studied, and our analyses show that the magnetization reversal process is affected by the interaction between the moving domain wall and the existing nonmagnetic particles. This interaction strongly depends on the size of the particles, and it is found that particles with a particular size contribute the most to magnetic hardening. (paper)

  11. Single Molecule Experiments Challenge the Strict Wave-Particle Dualism of Light

    Directory of Open Access Journals (Sweden)

    Karl Otto Greulich

    2010-01-01

    Full Text Available Single molecule techniques improve our understanding of the photon and light. If the single photon double slit experiment is performed at the “single photon limit” of a multi-atom light source, faint light pulses with more than one photon hamper the interpretation. Single molecules, quantum dots or defect centres in crystals should be used as light source. “Single photon detectors” do not meet their promise―only “photon number resolving single photon detectors” do so. Particularly, the accumulation time argument, the only safe basis for the postulate of a strictly particle like photon, has so far not yet been verified.

  12. Single-particle Analyses of Compositions, Morphology, and Viscosity of Aerosol Particles Collected During GoAmazon2014

    Science.gov (United States)

    Adachi, K.; Gong, Z.; Bateman, A. P.; Martin, S. T.; Cirino, G. G.; Artaxo, P.; Sedlacek, A. J., III; Buseck, P. R.

    2014-12-01

    Single-particle analysis using transmission electron microscopy (TEM) shows composition and morphology of individual aerosol particles collected during the GoAmazon2014 campaign. These TEM results indicate aerosol types and mixing states, both of which are important for evaluating particle optical properties and cloud condensation nuclei activity. The samples were collected at the T3 site, which is located in the Amazon forest with influences from the urban pollution plume from Manaus. Samples were also collected from the T0 site, which is in the middle of the jungle with minimal to no influences of anthropogenic sources. The aerosol particles mainly originated from 1) anthropogenic pollution (e.g., nanosphere soot, sulfate), 2) biogenic emissions (e.g., primary biogenic particles, organic aerosols), and 3) long-range transport (e.g., sea salts). We found that the biogenic organic aerosol particles contain homogeneously distributed potassium. Particle viscosity is important for evaluating gas-particle interactions and atmospheric chemistry for the particles. Viscosity can be estimated from the rebounding behavior at controlled relative humidities, i.e., highly viscous particles display less rebound on a plate than low-viscosity particles. We collected 1) aerosol particles from a plate (non-rebounded), 2) those that had rebounded from the plate and were then captured onto an adjacent sampling plate, and 3) particles from ambient air using a separate impactor sampler. Preliminary results show that more than 90% of non-rebounded particles consisted of nanosphere soot with or without coatings. The coatings mostly consisted of organic matter. Although rebounded particles also contain nanosphere soot (number fraction 64-69%), they were mostly internally mixed with sulfate, organic matter, or their mixtures. TEM tilted images suggested that the rebounded particles were less deformed on the substrate, whereas the non-rebounded particles were more deformed, which could

  13. Basic Evidence and Properties of Single-Particle States in Nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Cindro, N. [Institute ' ' Rudjer Boskovic' ' , Zagreb, Yugoslavia (Croatia)

    1970-07-15

    1. Introduction: the shell-model orbitals; 2. Information about single-particle orbitals: a critical evaluation; 3. Experimental evidence: 3.1. The lead region; 3.2. The calcium region; 3.3. Nuclei far from closed shells; 4. Conclusion. (author)

  14. Quantitative determination of carbonaceous particle mixing state in Paris using single particle mass spectrometer and aerosol mass spectrometer measurements

    Science.gov (United States)

    Healy, R. M.; Sciare, J.; Poulain, L.; Crippa, M.; Wiedensohler, A.; Prévôt, A. S. H.; Baltensperger, U.; Sarda-Estève, R.; McGuire, M. L.; Jeong, C.-H.; McGillicuddy, E.; O'Connor, I. P.; Sodeau, J. R.; Evans, G. J.; Wenger, J. C.

    2013-04-01

    Single particle mixing state information can be a powerful tool for assessing the relative impact of local and regional sources of ambient particulate matter in urban environments. However, quantitative mixing state data are challenging to obtain using single particle mass spectrometers. In this study, the quantitative chemical composition of carbonaceous single particles has been estimated using an aerosol time-of-flight mass spectrometer (ATOFMS) as part of the MEGAPOLI 2010 winter campaign in Paris, France. Relative peak areas of marker ions for elemental carbon (EC), organic aerosol (OA), ammonium, nitrate, sulphate and potassium were compared with concurrent measurements from an Aerodyne high resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS), a thermal/optical OCEC analyser and a particle into liquid sampler coupled with ion chromatography (PILS-IC). ATOFMS-derived mass concentrations reproduced the variability of these species well (R2 = 0.67-0.78), and ten discrete mixing states for carbonaceous particles were identified and quantified. Potassium content was used to identify particles associated with biomass combustion. The chemical mixing state of HR-ToF-AMS organic aerosol factors, resolved using positive matrix factorization, was also investigated through comparison with the ATOFMS dataset. The results indicate that hydrocarbon-like OA (HOA) detected in Paris is associated with two EC-rich mixing states which differ in their relative sulphate content, while fresh biomass burning OA (BBOA) is associated with two mixing states which differ significantly in their OA/EC ratios. Aged biomass burning OA (OOA2-BBOA) was found to be significantly internally mixed with nitrate, while secondary, oxidized OA (OOA) was associated with five particle mixing states, each exhibiting different relative secondary inorganic ion content. Externally mixed secondary organic aerosol was not observed. These findings demonstrate the heterogeneity of primary and

  15. Phase-coexistence simulations of fluid mixtures by the Markov Chain Monte Carlo method using single-particle models

    KAUST Repository

    Li, Jun

    2013-09-01

    We present a single-particle Lennard-Jones (L-J) model for CO2 and N2. Simplified L-J models for other small polyatomic molecules can be obtained following the methodology described herein. The phase-coexistence diagrams of single-component systems computed using the proposed single-particle models for CO2 and N2 agree well with experimental data over a wide range of temperatures. These diagrams are computed using the Markov Chain Monte Carlo method based on the Gibbs-NVT ensemble. This good agreement validates the proposed simplified models. That is, with properly selected parameters, the single-particle models have similar accuracy in predicting gas-phase properties as more complex, state-of-the-art molecular models. To further test these single-particle models, three binary mixtures of CH4, CO2 and N2 are studied using a Gibbs-NPT ensemble. These results are compared against experimental data over a wide range of pressures. The single-particle model has similar accuracy in the gas phase as traditional models although its deviation in the liquid phase is greater. Since the single-particle model reduces the particle number and avoids the time-consuming Ewald summation used to evaluate Coulomb interactions, the proposed model improves the computational efficiency significantly, particularly in the case of high liquid density where the acceptance rate of the particle-swap trial move increases. We compare, at constant temperature and pressure, the Gibbs-NPT and Gibbs-NVT ensembles to analyze their performance differences and results consistency. As theoretically predicted, the agreement between the simulations implies that Gibbs-NVT can be used to validate Gibbs-NPT predictions when experimental data is not available. © 2013 Elsevier Inc.

  16. Ergodicity of a single particle confined in a nanopore

    DEFF Research Database (Denmark)

    Bernardi, S.; Hansen, Jesper Schmidt; Frascolli, F.

    2012-01-01

    -ergodic component of the phase space for energy levels typical of experiments, is surprisingly small, i.e. we conclude that the ergodic hypothesis is a reasonable approximation even for a single particle trapped in a nanopore. Due to the numerical scope of this work, our focus will be the onset of ergodic behavior...

  17. Single particle inclusive spectra resulting from the collision of relativistic protons, deuterons, alpha particles, and carbon ions with nuclei

    International Nuclear Information System (INIS)

    Papp, J.

    1975-05-01

    The yields of positive and negative particles resulting from the collision of 1.05 GeV/nucleon and 2.1 GeV/nucleon protons, deuterons, alpha particles, and 1.05 GeV/nucleon carbon nuclei with various targets have been measured. Single particle inclusive cross sections for production of π + , π - , p, d, 3 H, 3 He, and 4 He at 2.5 0 (lab) were obtained. How the results bear on the concepts of limiting fragmentation and scaling, the structure of the alpha particle and deuteron, and the possibility of ''coherent'' production of pions by heavy ions are discussed. (U.S.)

  18. Understanding particle size and distance driven competition of interparticle interactions and effective single-particle anisotropy

    Czech Academy of Sciences Publication Activity Database

    Pacáková, Barbara; Mantlíková, Alice; Nižňanský, D.; Kubíčková, Simona; Vejpravová, Jana

    2016-01-01

    Roč. 28, č. 20 (2016), 1-11, č. článku 206004. ISSN 0953-8984 R&D Projects: GA ČR(CZ) GA15-01953S Institutional support: RVO:68378271 Keywords : magnetic nanoparticles * single-particle anisotropy * dipolar energy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.649, year: 2016

  19. Optimal noise reduction in 3D reconstructions of single particles using a volume-normalized filter

    Science.gov (United States)

    Sindelar, Charles V.; Grigorieff, Nikolaus

    2012-01-01

    The high noise level found in single-particle electron cryo-microscopy (cryo-EM) image data presents a special challenge for three-dimensional (3D) reconstruction of the imaged molecules. The spectral signal-to-noise ratio (SSNR) and related Fourier shell correlation (FSC) functions are commonly used to assess and mitigate the noise-generated error in the reconstruction. Calculation of the SSNR and FSC usually includes the noise in the solvent region surrounding the particle and therefore does not accurately reflect the signal in the particle density itself. Here we show that the SSNR in a reconstructed 3D particle map is linearly proportional to the fractional volume occupied by the particle. Using this relationship, we devise a novel filter (the “single-particle Wiener filter”) to minimize the error in a reconstructed particle map, if the particle volume is known. Moreover, we show how to approximate this filter even when the volume of the particle is not known, by optimizing the signal within a representative interior region of the particle. We show that the new filter improves on previously proposed error-reduction schemes, including the conventional Wiener filter as well as figure-of-merit weighting, and quantify the relationship between all of these methods by theoretical analysis as well as numeric evaluation of both simulated and experimentally collected data. The single-particle Wiener filter is applicable across a broad range of existing 3D reconstruction techniques, but is particularly well suited to the Fourier inversion method, leading to an efficient and accurate implementation. PMID:22613568

  20. Inequivalence of single-particle and population lifetimes in a cuprate superconductor

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shuolong [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Sobota, J. A. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Leuenberger, D. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); He, Y. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Hashimoto, M. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Lu, D. H. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Eisaki, H. [National Institute of Advanced Industrial Science and Technology, Ibaraki (Japan); Kirchmann, P. S. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Shen, Z. -X. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)

    2015-06-15

    We study optimally doped Bi-2212 (Tc=96 K) using femtosecond time- and angle-resolved photoelectron spectroscopy. Energy-resolved population lifetimes are extracted and compared with single-particle lifetimes measured by equilibrium photoemission. The population lifetimes deviate from the single-particle lifetimes in the low excitation limit by 1–2 orders of magnitude. Fundamental considerations of electron scattering unveil that these two lifetimes are in general distinct, yet for systems with only electron-phonon scattering they should converge in the low-temperature, low-fluence limit. As a result, the qualitative disparity in our data, even in this limit, suggests that scattering channels beyond electron-phonon interactions play a significant role in the electron dynamics of cuprate superconductors.

  1. Single-particle model of a strongly driven, dense, nanoscale quantum ensemble

    Science.gov (United States)

    DiLoreto, C. S.; Rangan, C.

    2018-01-01

    We study the effects of interatomic interactions on the quantum dynamics of a dense, nanoscale, atomic ensemble driven by a strong electromagnetic field. We use a self-consistent, mean-field technique based on the pseudospectral time-domain method and a full, three-directional basis to solve the coupled Maxwell-Liouville equations. We find that interatomic interactions generate a decoherence in the state of an ensemble on a much faster time scale than the excited-state lifetime of individual atoms. We present a single-particle model of the driven, dense ensemble by incorporating interactions into a dephasing rate. This single-particle model reproduces the essential physics of the full simulation and is an efficient way of rapidly estimating the collective dynamics of a dense ensemble.

  2. Single-Particle Spin-Orbit Splittings in Nuclei

    OpenAIRE

    Kazuhiko, ANDO; Hiroharu, BANDO; Department of Physics, Kyoto University; Division of Mathematical Physics, Fukui University

    1981-01-01

    Single-particle spin-orbit splittings (Δ^) in ^O and ^Ca nuclei are evaluated within the framework of the effective interaction theory by employing the Reid soft-core potential and meson-exchange three-body forces (TBF). Among the two-body force contributions, the Pauli-rearrangement effect on Δ^ is studied with special care. The TBF contribution to Δ^ is found to be significant. The G-matrix, the second-order pauli-rearrangement and the TBF contribute to Δ^ by the amount of ~1/2, ~1/5 and ~1...

  3. Mass Spectrometry of Single Particles Levitated in an Electrodynamic Balance: Applications to Laboratory Atmospheric Chemistry Research

    Science.gov (United States)

    Birdsall, A.; Krieger, U. K.; Keutsch, F. N.

    2017-12-01

    Dynamic changes to atmospheric aerosol particle composition (e.g., originating from evaporation/condensation, oxidative aging, or aqueous-phase chemical reactions) impact particle properties with importance for understanding particle effects on climate and human health. These changes can take place over the entire lifetime of an atmospheric particle, which can extend over multiple days. Previous laboratory studies of such processes have included analyzing single particles suspended in a levitation device, such as an electrodynamic balance (EDB), an optical levitator, or an acoustic trap, using optical detection techniques. However, studying chemically complex systems can require an analytical method, such as mass spectrometry, that provides more molecular specificity. Existing work coupling particle levitation with mass spectrometry is more limited and largely has consisted of acoustic levitation of millimeter-sized droplets.In this work an EDB has been coupled with a custom-built ionization source and commercial time-of-flight mass spectrometer (MS) as a platform for laboratory atmospheric chemistry research. Single charged particles (radius 10 μm) have been injected into an EDB, levitated for an arbitrarily long period of time, and then transferred to a vaporization-corona discharge ionization region for MS analysis. By analyzing a series of particles of identical composition, residing in the controlled environment of the EDB for varying times, we can trace the chemical evolution of a particle over hours or days, appropriate timescales for understanding transformations of atmospheric particles.To prove the concept of our EDB-MS system, we have studied the evaporation of particles consisting of polyethylene glycol (PEG) molecules of mixed chain lengths, used as a benchmark system. Our system can quantify the composition of single particles (see Figure for sample spectrum of a single PEG-200 particle: PEG parent ions labeled with m/z, known PEG fragment ions

  4. Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

    Science.gov (United States)

    Gonthier, Jérôme F.; Corminboeuf, Clémence

    2014-04-01

    Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non

  5. Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

    International Nuclear Information System (INIS)

    Gonthier, Jérôme F.; Corminboeuf, Clémence

    2014-01-01

    Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non

  6. Quantitative determination of carbonaceous particle mixing state in Paris using single-particle mass spectrometer and aerosol mass spectrometer measurements

    Directory of Open Access Journals (Sweden)

    R. M. Healy

    2013-09-01

    Full Text Available Single-particle mixing state information can be a powerful tool for assessing the relative impact of local and regional sources of ambient particulate matter in urban environments. However, quantitative mixing state data are challenging to obtain using single-particle mass spectrometers. In this study, the quantitative chemical composition of carbonaceous single particles has been determined using an aerosol time-of-flight mass spectrometer (ATOFMS as part of the MEGAPOLI 2010 winter campaign in Paris, France. Relative peak areas of marker ions for elemental carbon (EC, organic aerosol (OA, ammonium, nitrate, sulfate and potassium were compared with concurrent measurements from an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS, a thermal–optical OCEC analyser and a particle into liquid sampler coupled with ion chromatography (PILS-IC. ATOFMS-derived estimated mass concentrations reproduced the variability of these species well (R2 = 0.67–0.78, and 10 discrete mixing states for carbonaceous particles were identified and quantified. The chemical mixing state of HR-ToF-AMS organic aerosol factors, resolved using positive matrix factorisation, was also investigated through comparison with the ATOFMS dataset. The results indicate that hydrocarbon-like OA (HOA detected in Paris is associated with two EC-rich mixing states which differ in their relative sulfate content, while fresh biomass burning OA (BBOA is associated with two mixing states which differ significantly in their OA / EC ratios. Aged biomass burning OA (OOA2-BBOA was found to be significantly internally mixed with nitrate, while secondary, oxidised OA (OOA was associated with five particle mixing states, each exhibiting different relative secondary inorganic ion content. Externally mixed secondary organic aerosol was not observed. These findings demonstrate the range of primary and secondary organic aerosol mixing states in Paris. Examination of the

  7. Quantitative determination of carbonaceous particle mixing state in Paris using single-particle mass spectrometer and aerosol mass spectrometer measurements

    Science.gov (United States)

    Healy, R. M.; Sciare, J.; Poulain, L.; Crippa, M.; Wiedensohler, A.; Prévôt, A. S. H.; Baltensperger, U.; Sarda-Estève, R.; McGuire, M. L.; Jeong, C.-H.; McGillicuddy, E.; O'Connor, I. P.; Sodeau, J. R.; Evans, G. J.; Wenger, J. C.

    2013-09-01

    Single-particle mixing state information can be a powerful tool for assessing the relative impact of local and regional sources of ambient particulate matter in urban environments. However, quantitative mixing state data are challenging to obtain using single-particle mass spectrometers. In this study, the quantitative chemical composition of carbonaceous single particles has been determined using an aerosol time-of-flight mass spectrometer (ATOFMS) as part of the MEGAPOLI 2010 winter campaign in Paris, France. Relative peak areas of marker ions for elemental carbon (EC), organic aerosol (OA), ammonium, nitrate, sulfate and potassium were compared with concurrent measurements from an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS), a thermal-optical OCEC analyser and a particle into liquid sampler coupled with ion chromatography (PILS-IC). ATOFMS-derived estimated mass concentrations reproduced the variability of these species well (R2 = 0.67-0.78), and 10 discrete mixing states for carbonaceous particles were identified and quantified. The chemical mixing state of HR-ToF-AMS organic aerosol factors, resolved using positive matrix factorisation, was also investigated through comparison with the ATOFMS dataset. The results indicate that hydrocarbon-like OA (HOA) detected in Paris is associated with two EC-rich mixing states which differ in their relative sulfate content, while fresh biomass burning OA (BBOA) is associated with two mixing states which differ significantly in their OA / EC ratios. Aged biomass burning OA (OOA2-BBOA) was found to be significantly internally mixed with nitrate, while secondary, oxidised OA (OOA) was associated with five particle mixing states, each exhibiting different relative secondary inorganic ion content. Externally mixed secondary organic aerosol was not observed. These findings demonstrate the range of primary and secondary organic aerosol mixing states in Paris. Examination of the temporal

  8. Characterizing uranium oxide reference particles for isotopic abundances and uranium mass by single particle isotope dilution mass spectrometry

    International Nuclear Information System (INIS)

    Kraiem, M.; Richter, S.; Erdmann, N.; Kühn, H.; Hedberg, M.; Aregbe, Y.

    2012-01-01

    Highlights: ► A method to quantify the U mass in single micron particles by ID-TIMS was developed. ► Well-characterized monodisperse U-oxide particles produced by an aerosol generator were used. ► A linear correlation between the mass of U and the volume of particle(s) was found. ► The method developed is suitable for determining the amount of U in a particulate reference material. - Abstract: Uranium and plutonium particulate test materials are becoming increasingly important as the reliability of measurement results has to be demonstrated to regulatory bodies responsible for maintaining effective nuclear safeguards. In order to address this issue, the Institute for Reference Materials and Measurements (IRMM) in collaboration with the Institute for Transuranium Elements (ITU) has initiated a study to investigate the feasibility of preparing and characterizing a uranium particle reference material for nuclear safeguards, which is finally certified for isotopic abundances and for the uranium mass per particle. Such control particles are specifically required to evaluate responses of instruments based on mass spectrometric detection (e.g. SIMS, TIMS, LA-ICPMS) and to help ensuring the reliability and comparability of measurement results worldwide. In this paper, a methodology is described which allows quantifying the uranium mass in single micron particles by isotope dilution thermal ionization mass spectrometry (ID-TIMS). This methodology is characterized by substantial improvements recently achieved at IRMM in terms of sensitivity and measurement accuracy in the field of uranium particle analysis by TIMS. The use of monodisperse uranium oxide particles prepared using an aerosol generation technique developed at ITU, which is capable of producing particles of well-characterized size and isotopic composition was exploited. The evidence of a straightforward correlation between the particle volume and the mass of uranium was demonstrated in this study

  9. Mixing state of particles with secondary species by single particle aerosol mass spectrometer in an atmospheric pollution event

    Science.gov (United States)

    Xu, Lingling; Chen, Jinsheng

    2016-04-01

    Single particle aerosol mass spectrometer (SPAMS) was used to characterize size distribution, chemical composition, and mixing state of particles in an atmospheric pollution event during 20 Oct. - 5 Nov., 2015 in Xiamen, Southeast China. A total of 533,012 particle mass spectra were obtained and clustered into six groups, comprising of industry metal (4.5%), dust particles (2.6%), carbonaceous species (70.7%), K-Rich particles (20.7%), seasalt (0.6%) and other particles (0.9%). Carbonaceous species were further divided into EC (70.6%), OC (28.5%), and mixed ECOC (0.9%). There were 61.7%, 58.3%, 4.0%, and 14.6% of particles internally mixed with sulfate, nitrate, ammonium and C2H3O, respectively, indicating that these particles had undergone significant aging processing. Sulfate was preferentially mixed with carbonaceous particles, while nitrate tended to mix with metal-containing and dust particles. Compared to clear days, the fractions of EC-, metal- and dust particles remarkably increased, while the fraction of OC-containing particles decreased in pollution days. The mixing state of particles, excepted for OC-containing particles with secondary species was much stronger in pollution days than that in clear days, which revealed the significant influence of secondary particles in atmospheric pollution. The different activity of OC-containing particles might be related to their much smaller aerodynamic diameter. These results could improve our understanding of aerosol characteristics and could be helpful to further investigate the atmospheric process of particles.

  10. Double-slit experiment with single wave-driven particles and its relation to quantum mechanics

    DEFF Research Database (Denmark)

    Andersen, Anders Peter; Madsen, Jacob; Reichelt, Christian Günther

    2015-01-01

    even though it is possible to determine unambiguously which slit the walking droplet passes. Here we argue, however, that the single-particle statistics in such an experiment will be fundamentally different from the single-particle statistics of quantum mechanics. Quantum mechanical interference takes...... place between different classical paths with precise amplitude and phase relations. In the double-slit experiment with walking droplets, these relations are lost since one of the paths is singled out by the droplet. To support our conclusions, we have carried out our own double-slit experiment, and our...... results, in particular the long and variable slit passage times of the droplets, cast strong doubt on the feasibility of the interference claimed by Couder and Fort. To understand theoretically the limitations of wave-driven particle systems as analogs to quantum mechanics, we introduce a Schro...

  11. Interplay of single particle and collective response in molecular dynamics simulation of dusty plasma system

    Science.gov (United States)

    Maity, Srimanta; Das, Amita; Kumar, Sandeep; Tiwari, Sanat Kumar

    2018-04-01

    The collective response of the plasma medium is well known and has been explored extensively in the context of dusty plasma medium. On the other hand, the individual particle response associated with the collisional character giving rise to the dissipative phenomena has not been explored adequately. In this paper, two-dimensional molecular dynamics simulation of dust particles interacting via Yukawa potential has been considered. It has been shown that disturbances induced in a dust crystal elicit both collective and single particle responses. Generation of a few particles moving at speeds considerably higher than acoustic and/or shock speed (excited by the external disturbance) is observed. This is an indication of a single particle response. Furthermore, as these individual energetic particles propagate, the dust crystal is observed to crack along their path. Initially when the energy is high, these particles generate secondary energetic particles by the collisional scattering process. However, ultimately as these particles slow down they excite a collective response in the dust medium at secondary locations in a region which is undisturbed by the primary external disturbance. The condition when the cracking of the crystal stops and collective excitations get initiated has been identified quantitatively. The trailing collective primary disturbances would thus often encounter a disturbed medium with secondary and tertiary collective perturbations, thereby suffering significant modification in its propagation. It is thus clear that there is an interesting interplay (other than mere dissipation) between the single particle and collective response which governs the dynamics of any disturbance introduced in the medium.

  12. Quantum chaos in nuclear single-particle motion and damping of giant resonances

    International Nuclear Information System (INIS)

    Pal, Santanu; Mukhopadhyay, Tapan

    1995-01-01

    The spectral statistics of single particle motion in deformed cavities with axial symmetry are presented. The single particle motion in the cavities considered are non-integrable and the systematics of the fluctuation measures of the spectra reveal a transition from regular to chaotic regime in the corresponding classical systems. Quantitative estimate of the degree of chaos enables us to introduce a correction factor to the one-body wall formula for the damping widths of isoscalar giant resonances. The damping widths calculated with this correction factor give much better agreement with experimental values than earlier calculations of one-body damping widths. (author). 21 refs., 5 figs

  13. Development and characterization of a single particle laser ablation mass spectrometer (SPLAM for organic aerosol studies

    Directory of Open Access Journals (Sweden)

    F. Gaie-Levrel

    2012-01-01

    Full Text Available A single particle instrument was developed for real-time analysis of organic aerosol. This instrument, named Single Particle Laser Ablation Mass Spectrometry (SPLAM, samples particles using an aerodynamic lens system for which the theoretical performances were calculated. At the outlet of this system, particle detection and sizing are realized by using two continuous diode lasers operating at λ = 403 nm. Polystyrene Latex (PSL, sodium chloride (NaCl and dioctylphtalate (DOP particles were used to characterize and calibrate optical detection of SPLAM. The optical detection limit (DL and detection efficiency (DE were determined using size-selected DOP particles. The DE ranges from 0.1 to 90% for 100 and 350 nm DOP particles respectively and the SPLAM instrument is able to detect and size-resolve particles as small as 110–120 nm. During optical detection, particle scattered light from the two diode lasers, is detected by two photomultipliers and the detected signals are used to trigger UV excimer laser (λ = 248 nm used for one-step laser desorption ionization (LDI of individual aerosol particles. The formed ions are analyzed by a 1 m linear time-of-flight mass spectrometer in order to access to the chemical composition of individual particles. The TOF-MS detection limit for gaseous aromatic compounds was determined to be 0.85 × 10−15 kg (∼4 × 103 molecules. DOP particles were also used to test the overall operation of the instrument. The analysis of a secondary organic aerosol, formed in a smog chamber by the ozonolysis of indene, is presented as a first application of the instrument. Single particle mass spectra were obtained with an effective hit rate of 8%. Some of these mass spectra were found to be very different from one particle to another possibly reflecting chemical differences within the investigated indene SOA particles. Our study shows that an exhaustive statistical analysis, over hundreds of particles

  14. A study of complex scaling transformation using the Wigner representation of wavefunctions.

    Science.gov (United States)

    Kaprálová-Ždánská, Petra Ruth

    2011-05-28

    The complex scaling operator exp(-θ ̂x̂p/ℏ), being a foundation of the complex scaling method for resonances, is studied in the Wigner phase-space representation. It is shown that the complex scaling operator behaves similarly to the squeezing operator, rotating and amplifying Wigner quasi-probability distributions of the respective wavefunctions. It is disclosed that the distorting effect of the complex scaling transformation is correlated with increased numerical errors of computed resonance energies and widths. The behavior of the numerical error is demonstrated for a computation of CO(2+) vibronic resonances. © 2011 American Institute of Physics

  15. Cluster expansion of the wavefunction. Symmetry-adapted-cluster expansion, its variational determination, and extension of open-shell orbital theory

    International Nuclear Information System (INIS)

    Nakatsuji, H.; Hirao, K.

    1978-01-01

    The symmetry-adapted-cluster (SAC) expansion of an exact wavefunction is given. It is constructed from the generators of the symmetry-adapted excited configurations having the symmetry under consideration, and includes their higher-order effect and self-consistency effect. It is different from the conventional cluster expansions in several important points, and is suitable for applications to open-shell systems as well as closed-shell systems. The variational equation for the SAC wavefunction has a form similar to the generalized Brillouin theorem in accordance with the inclusion of the higher-order effect and the self-consistency effect. We have expressed some existing open-shell orbital theories equivalently in the conventional cluster expansion formulas, and on this basis, we have given the pseudo-orbital theory which is an extension of open-shell orbital theory in the SAC expansion formula

  16. Authenticated multi-user quantum key distribution with single particles

    Science.gov (United States)

    Lin, Song; Wang, Hui; Guo, Gong-De; Ye, Guo-Hua; Du, Hong-Zhen; Liu, Xiao-Fen

    2016-03-01

    Quantum key distribution (QKD) has been growing rapidly in recent years and becomes one of the hottest issues in quantum information science. During the implementation of QKD on a network, identity authentication has been one main problem. In this paper, an efficient authenticated multi-user quantum key distribution (MQKD) protocol with single particles is proposed. In this protocol, any two users on a quantum network can perform mutual authentication and share a secure session key with the assistance of a semi-honest center. Meanwhile, the particles, which are used as quantum information carriers, are not required to be stored, therefore the proposed protocol is feasible with current technology. Finally, security analysis shows that this protocol is secure in theory.

  17. Summary report of the group on single-particle nonlinear dynamics

    International Nuclear Information System (INIS)

    Axinescu, S.; Bartolini, R.; Bazzani, A.

    1996-10-01

    This report summarizes the research on single-particle nonlinear beam dynamics. It discusses the following topics: analytical and semi-analytical tools; early prediction of the dynamic aperture; how the results are commonly presented; Is the mechanism of the dynamic aperture understand; ripple effects; and beam-beam effects

  18. Single particle level density in a finite depth potential well

    International Nuclear Information System (INIS)

    Shlomo, S.; Kolomietz, V.M.; Dejbakhsh, H.

    1997-01-01

    We consider the single particle level density g(ε) of a realistic finite depth potential well, concentrating on the continuum (ε>0) region. We carry out quantum-mechanical calculations of the partial level density g l (ε), associated with a well-defined orbital angular momentum l≤40, using the phase-shift derivative method and the Greens-function method and compare the results with those obtained using the Thomas-Fermi approximation. We also numerically calculate g(ε) as a l sum of g l (ε) up to a certain value of scr(l) max ≤40 and determine the corresponding smooth level densities using the Strutinsky smoothing procedure. We demonstrate, in accordance with Levinson close-quote s theorem, that the partial contribution g l (ε) to the single particle level density from continuum states has positive and negative values. However, g(ε) is nonnegative. We also point out that this is not the case for an energy-dependent potential well. copyright 1997 The American Physical Society

  19. Charged-particle spectroscopy in organic semiconducting single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ciavatti, A.; Basiricò, L.; Fraboni, B. [Department of Physics and Astronomy, University of Bologna, Viale Berti Pichat 6/2, 40127 Bologna (Italy); Sellin, P. J. [Department of Physics, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Fraleoni-Morgera, A. [ELETTRA-Sincrotrone Trieste, Strada Statale 14, Km 163.5, Basovizza, Trieste (Italy); Department of Engineering and Architecture, University of Trieste, V. Valerio 10, 34100 Trieste (Italy); CNR-Nano S3 Institute, Via Campi 213/A, 41125 Modena (Italy)

    2016-04-11

    The use of organic materials as radiation detectors has grown, due to the easy processability in liquid phase at room temperature and the possibility to cover large areas by means of low cost deposition techniques. Direct charged-particle detectors based on solution-grown Organic Semiconducting Single Crystals (OSSCs) are shown to be capable to detect charged particles in pulse mode, with very good peak discrimination. The direct charged-particle detection in OSSCs has been assessed both in the planar and in the vertical axes, and a digital pulse processing algorithm has been used to perform pulse height spectroscopy and to study the charge collection efficiency as a function of the applied bias voltage. Taking advantage of the charge spectroscopy and the good peak discrimination of pulse height spectra, an Hecht-like behavior of OSSCs radiation detectors is demonstrated. It has been possible to estimate the mobility-lifetime value in organic materials, a fundamental parameter for the characterization of radiation detectors, whose results are equal to μτ{sub coplanar} = (5 .5 ± 0.6 ) × 10{sup −6} cm{sup 2}/V and μτ{sub sandwich} = (1 .9 ± 0.2 ) × 10{sup −6} cm{sup 2}/V, values comparable to those of polycrystalline inorganic detectors. Moreover, alpha particles Time-of-Flight experiments have been carried out to estimate the drift mobility value. The results reported here indicate how charged-particle detectors based on OSSCs possess a great potential as low-cost, large area, solid-state direct detectors operating at room temperature. More interestingly, the good detection efficiency and peak discrimination observed for charged-particle detection in organic materials (hydrogen-rich molecules) are encouraging for their further exploitation in the detection of thermal and high-energy neutrons.

  20. Observation of suppressed Auger mechanism in type-I quantum well structures with delocalized electron-hole wavefunctions

    Energy Technology Data Exchange (ETDEWEB)

    Hassani Nia, Iman; Fathipour, Vala; Mohseni, Hooman, E-mail: hmohseni@ece.northwestern.edu [Bio-Inspired Sensors and Optoelectronics Laboratory (BISOL), Department of Electrical Engineering, Northwestern University, Evanston, Illinois 60208 (United States)

    2015-08-15

    We report the first observation of non-threshold Auger mechanism for a quantum well structure with Type-I band alignment. Excitation-dependent photoluminescence measurements were used to extract the Auger recombination coefficients from 77 K up to room temperature. The results verify the role of interface mediated momentum exchange as well as suppression of Auger recombination for delocalized electron-hole wavefunctions.

  1. Aperture and counting rate of rectangular telescopes for single and multiple parallel particles. [Spark chamber telescopes

    Energy Technology Data Exchange (ETDEWEB)

    D' Ettorre Piazzoli, B; Mannocchi, G [Consiglio Nazionale delle Ricerche, Turin (Italy). Lab. di Cosmo-Geofisica; Melone, S [Istituto di Fisica dell' Universita, Ancona, Italy; Picchi, P; Visentin, R [Comitato Nazionale per l' Energia Nucleare, Frascati (Italy). Laboratori Nazionali di Frascati

    1976-06-01

    Expressions for the counting rate of rectangular telescopes in the case of single as well as multiple particles are given. The aperture for single particles is obtained in the form of a double integral and analytical solutions are given for some cases. The intensity for different multiplicities of parallel particles is related to the geometry of the detectors and to the features of the radiation. This allows an absolute comparison between the data recorded by different devices.

  2. Generating high-quality single droplets for optical particle characterization with an easy setup

    Science.gov (United States)

    Xu, Jie; Ge, Baozhen; Meng, Rui

    2018-06-01

    The high-performance and micro-sized single droplet is significant for optical particle characterization. We develop a single-droplet generator (SDG) based on a piezoelectric inkjet technique with advantages of low cost and easy setup. By optimizing the pulse parameters, we achieve various size single droplets. Further investigations reveal that SDG generates single droplets of high quality, demonstrating good sphericity, monodispersity and a stable length of several millimeters.

  3. Deflection of high energy channeled charged particles by elastically bent silicon single crystals

    International Nuclear Information System (INIS)

    Gibson, W.M.; Kim, I.J.; Pisharodoy, M.; Salman, S.M.; Sun, C.R.; Wang, G.H.; Wijayawardana, R.; Forster, J.S.; Mitchell, I.V.; Baker, S.I.; Carrigan, R.A. Jr.; Toohig, T.E.; Avdeichikov, V.V.; Ellison, J.A.; Siffert, P.

    1984-01-01

    An experiment has been carried out to observe the deflection of charged particles by planar channeling in bent single crystals of silicon for protons with energy up to 180 GeV. Anomolous loss of particles from the center point of a three point bending apparatus was observed at high incident particle energy. This effect has been exploited to fashion a 'dechanneling spectrometer' to study dechanneling effects due to centripital displacement of channeled particle trajectories in a bent crystal. The bending losses generally conform to the predictions of calculations based on a classical model. (orig.)

  4. Reducing dephasing in coupled quantum dot-cavity systems by engineering the carrier wavefunctions

    DEFF Research Database (Denmark)

    Nysteen, Anders; Nielsen, Per Kær; Mørk, Jesper

    2012-01-01

    We demonstrate theoretically how photon-assisted dephasing by the electron-phonon interaction in a coupled cavity-quantum dot system can be significantly reduced for specific QD-cavity detunings. Our starting point is a recently published theory,1 which considers longitudinal acoustic phonons......, described by a non-Markovian model, interacting with a coupled quantum dot-cavity system. The reduction of phonon-induced dephasing is obtained by placing the cavity-quantum dot system inside an infinite slab, assuming spherical electronic wavefunctions. Based on our calculations, we expect this to have...

  5. Statistical and direct decay of high-lying single-particle excitations

    International Nuclear Information System (INIS)

    Gales, S.

    1993-01-01

    Transfer reactions induced by hadronic probes at intermediate energies have revealed a rich spectrum of high-lying excitations embedded in the nuclear continuum. The investigation of their decay properties is believed to be a severe test of their microscopic structure as predicted by microscopic nuclear models. In addition the degree of damping of these simple modes in the nuclear continuum can be obtained by means of the measured particle (n,p) decay branching ratios. The neutron and proton decay studies of high-lying single-particle states in heavy nuclei are presented. (author). 13 refs., 9 figs

  6. Tensor representation techniques for full configuration interaction: A Fock space approach using the canonical product format.

    Science.gov (United States)

    Böhm, Karl-Heinz; Auer, Alexander A; Espig, Mike

    2016-06-28

    In this proof-of-principle study, we apply tensor decomposition techniques to the Full Configuration Interaction (FCI) wavefunction in order to approximate the wavefunction parameters efficiently and to reduce the overall computational effort. For this purpose, the wavefunction ansatz is formulated in an occupation number vector representation that ensures antisymmetry. If the canonical product format tensor decomposition is then applied, the Hamiltonian and the wavefunction can be cast into a multilinear product form. As a consequence, the number of wavefunction parameters does not scale to the power of the number of particles (or orbitals) but depends on the rank of the approximation and linearly on the number of particles. The degree of approximation can be controlled by a single threshold for the rank reduction procedure required in the algorithm. We demonstrate that using this approximation, the FCI Hamiltonian matrix can be stored with N(5) scaling. The error of the approximation that is introduced is below Millihartree for a threshold of ϵ = 10(-4) and no convergence problems are observed solving the FCI equations iteratively in the new format. While promising conceptually, all effort of the algorithm is shifted to the required rank reduction procedure after the contraction of the Hamiltonian with the coefficient tensor. At the current state, this crucial step is the bottleneck of our approach and even for an optimistic estimate, the algorithm scales beyond N(10) and future work has to be directed towards reduction-free algorithms.

  7. Evolution of Single-Particle Energies for N=9 Nuclei at Large N/Z

    Directory of Open Access Journals (Sweden)

    Wuosmaa A. H.

    2014-03-01

    Full Text Available We have studied the nucleus 14B using the 13B(d,p14B and 15C(d,3He14B reactions. The two reactions provide complementary information about the negative-parity 1s1/2 and 0d5/2 neutron single-particle states in 14B. The data from the (d,p reaction give neutron-spectroscopic strengths for these levels, and the (d,3He results confirm the existence of a broad 2- excited state suggested in the literature. Together these results provide estimates of the sd-shell neutron effective single-particle energies in 14B.

  8. Plasmon excitation in single wall carbon nanotubes by penetrating charged particles

    International Nuclear Information System (INIS)

    Segui, Silvina; Gervasoni, Juana L; Arista, Néstor R; Mowbray, Duncan J; Mišković, Zoran L

    2012-01-01

    In this work we study the excitation of plasmons due to the incidence of a charged particle passing through a single wall carbon nanotube. We use a quantized hydrodynamic, in which the σ and π electrons characteristic of these carbonaceous structures are depicted as two interacting 2-dimensional fluids, to calculate the average number of plasmons excited. We analyze the contribution of the different plasmon modes in a variety of configurations, and study the energy lost by the incident particle.

  9. On the existence of the optimal order for wavefunction extrapolation in Born-Oppenheimer molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Jun; Wang, Han, E-mail: wang-han@iapcm.ac.cn [Institute of Applied Physics and Computational Mathematics, Beijing (China); CAEP Software Center for High Performance Numerical Simulation, Beijing (China); Gao, Xingyu; Song, Haifeng [Institute of Applied Physics and Computational Mathematics, Beijing (China); CAEP Software Center for High Performance Numerical Simulation, Beijing (China); Laboratory of Computational Physics, Beijing (China)

    2016-06-28

    Wavefunction extrapolation greatly reduces the number of self-consistent field (SCF) iterations and thus the overall computational cost of Born-Oppenheimer molecular dynamics (BOMD) that is based on the Kohn–Sham density functional theory. Going against the intuition that the higher order of extrapolation possesses a better accuracy, we demonstrate, from both theoretical and numerical perspectives, that the extrapolation accuracy firstly increases and then decreases with respect to the order, and an optimal extrapolation order in terms of minimal number of SCF iterations always exists. We also prove that the optimal order tends to be larger when using larger MD time steps or more strict SCF convergence criteria. By example BOMD simulations of a solid copper system, we show that the optimal extrapolation order covers a broad range when varying the MD time step or the SCF convergence criterion. Therefore, we suggest the necessity for BOMD simulation packages to open the user interface and to provide more choices on the extrapolation order. Another factor that may influence the extrapolation accuracy is the alignment scheme that eliminates the discontinuity in the wavefunctions with respect to the atomic or cell variables. We prove the equivalence between the two existing schemes, thus the implementation of either of them does not lead to essential difference in the extrapolation accuracy.

  10. Quantum private comparison with d-level single-particle states

    International Nuclear Information System (INIS)

    Yu, Chao-Hua; Guo, Gong-De; Lin, Song

    2013-01-01

    In this paper, a quantum private comparison protocol with d-level single-particle states is proposed. In the protocol, a semi-honest third party is introduced to help two participants compare the size relationship of their secrets without revealing them to any other people. It is shown that the protocol is secure in theory. Moreover, the security of the protocol in real circumstance is also discussed. (paper)

  11. Radiative capture of nucleons at astrophysical energies with single-particle states

    International Nuclear Information System (INIS)

    Huang, J.T.; Bertulani, C.A.; Guimaraes, V.

    2010-01-01

    Radiative capture of nucleons at energies of astrophysical interest is one of the most important processes for nucleosynthesis. The nucleon capture can occur either by a compound nucleus reaction or by a direct process. The compound reaction cross sections are usually very small, especially for light nuclei. The direct capture proceeds either via the formation of a single-particle resonance or a non-resonant capture process. In this work we calculate radiative capture cross sections and astrophysical S-factors for nuclei in the mass region A<20 using single-particle states. We carefully discuss the parameter fitting procedure adopted in the simplified two-body treatment of the capture process. Then we produce a detailed list of cases for which the model works well. Useful quantities, such as spectroscopic factors and asymptotic normalization coefficients, are obtained and compared to published data.

  12. Particle in a Uniform Magnetic Field Under the Symmetric Gauge: The Eigenfunctions and the Time Evolution of Wave Packets

    Science.gov (United States)

    de Brito, P. E.; Nazareno, H. N.

    2007-01-01

    In the present work we treat the problem of a particle in a uniform magnetic field along the symmetric gauge, so chosen since the wavefunctions present the required cylindrical symmetry. It is our understanding that by means of this work we can make a contribution to the teaching of the present subject, as well as encourage students to use…

  13. Quantum measurement and quantum gravity: many-worlds or collapse of the wavefunction?

    International Nuclear Information System (INIS)

    Singh, T P

    2009-01-01

    At present, there are two possible, and equally plausible, explanations for the physics of quantum measurement. The first explanation, known as the many-worlds interpretation, does not require any modification of quantum mechanics, and asserts that at the time of measurement the Universe splits into many branches, one branch for every possible alternative. The various branches do not interfere with each other because of decoherence, thus providing a picture broadly consistent with the observed Universe. The second explanation, which requires quantum mechanics to be modified from its presently known form, is that at the time of measurement the wavefunction collapses into one of the possible alternatives. The two explanations are mutually exclusive, and up until now, no theoretical reasoning has been put forward to choose one explanation over the other. In this article, we provide an argument which implies that the collapse interpretation is favored over the many-worlds interpretation. Our starting point is the assertion (which we justify) that there ought to exist a reformulation of quantum mechanics which does not refer to a classical spacetime manifold. The need for such a reformulation implies that quantum theory becomes nonlinear on the Planck mass/energy scale. Standard linear quantum mechanics is an approximation to this nonlinear theory, valid at energy scales much smaller than the Planck scale. Using ideas based on noncommutative differential geometry, we develop such a reformulation and derive a nonlinear Schroedinger equation, which can explain collapse of the wavefunction. We also obtain an expression for the lifetime of a quantum superposition. We suggest ideas for an experimental test of this model.

  14. Single-particle properties of N = 12 to N = 20 silicon isotopes within the dispersive optical model

    Science.gov (United States)

    Bespalova, O. V.; Ermakova, T. A.; Klimochkina, A. A.; Spasskaya, T. I.

    2017-09-01

    Experimental neutron and proton single-particle energies in N = 12 to N = 20 silicon isotopes and data on neutron and proton scattering by nuclei of the isotope 28Si are analyzed on the basis of the dispersive optical model. Good agreement with available experimental data was attained. The occupation probabilities calculated for the single-particle states in question suggest a parallel-type filling of the 1 d and 2 s 1/2 neutron states in the isotopes 26,28,30,32,34Si. The single-particle spectra being considered are indicative of the closure of the Z = 14 proton subshell in the isotopes 30,32,34Si and the N = 20 neutron shell.

  15. Characterization of biomass combustion at high temperatures based on an upgraded single particle model

    International Nuclear Information System (INIS)

    Li, Jun; Paul, Manosh C.; Younger, Paul L.; Watson, Ian; Hossain, Mamdud; Welch, Stephen

    2015-01-01

    Highlights: • High temperature rapid biomass combustion is studied based on single particle model. • Particle size changes in devolatilization and char oxidation models are addressed. • Time scales of various thermal sub-processes are compared and discussed. • Potential solutions are suggested to achieve better biomass co-firing performances. - Abstract: Biomass co-firing is becoming a promising solution to reduce CO 2 emissions, due to its renewability and carbon neutrality. Biomass normally has high moisture and volatile contents, complicating its combustion behavior, which is significantly different from that of coal. A computational fluid dynamics (CFD) combustion model of a single biomass particle is employed to study high-temperature rapid biomass combustion. The two-competing-rate model and kinetics/diffusion model are used to model biomass devolatilization reaction and char burnout process, respectively, in which the apparent kinetics used for those two models were from high temperatures and high heating rates tests. The particle size changes during the devolatilization and char burnout are also considered. The mass loss properties and temperature profile during the biomass devolatilization and combustion processes are predicted; and the timescales of particle heating up, drying, devolatilization, and char burnout are compared and discussed. Finally, the results shed light on the effects of particle size on the combustion behavior of biomass particle

  16. Particle imaging velocimetry experiments and lattice-Boltzmann simulations on a single sphere settling under gravity

    NARCIS (Netherlands)

    Ten Cate, A.; Nieuwstad, C.H.; Derksen, J.J.; Van den Akker, H.E.A.

    2002-01-01

    A comparison is made between experiments and simulations on a single sphere settling in silicon oil in a box. Cross-correlation particle imaging velocimetry measurements were carried out at particle Reynolds numbers ranging from 1.5 to 31.9. The particle Stokes number varied from 0.2 to 4 and at

  17. Direct uranium isotope ratio analysis of single micrometer-sized glass particles

    OpenAIRE

    Kappel, Stefanie; Boulyga, Sergei F.; Prohaska, Thomas

    2012-01-01

    We present the application of nanosecond laser ablation (LA) coupled to a ‘Nu Plasma HR’ multi collector inductively coupled plasma mass spectrometer (MC-ICP-MS) for the direct analysis of U isotope ratios in single, 10–20 μm-sized, U-doped glass particles. Method development included studies with respect to (1) external correction of the measured U isotope ratios in glass particles, (2) the applied laser ablation carrier gas (i.e. Ar versus He) and (3) the accurate determination of lower abu...

  18. Probing spontaneous wave-function collapse with entangled levitating nanospheres

    Science.gov (United States)

    Zhang, Jing; Zhang, Tiancai; Li, Jie

    2017-01-01

    Wave-function collapse models are considered to be the modified theories of standard quantum mechanics at the macroscopic level. By introducing nonlinear stochastic terms in the Schrödinger equation, these models (different from standard quantum mechanics) predict that it is fundamentally impossible to prepare macroscopic systems in macroscopic superpositions. The validity of these models can only be examined by experiments, and hence efficient protocols for these kinds of experiments are greatly needed. Here we provide a protocol that is able to probe the postulated collapse effect by means of the entanglement of the center-of-mass motion of two nanospheres optically trapped in a Fabry-Pérot cavity. We show that the collapse noise results in a large reduction of the steady-state entanglement, and the entanglement, with and without the collapse effect, shows distinguishable scalings with certain system parameters, which can be used to determine unambiguously the effect of these models.

  19. Real stabilization method for nuclear single-particle resonances

    International Nuclear Information System (INIS)

    Zhang Li; Zhou Shangui; Meng Jie; Zhao Enguang

    2008-01-01

    We develop the real stabilization method within the framework of the relativistic mean-field (RMF) model. With the self-consistent nuclear potentials from the RMF model, the real stabilization method is used to study single-particle resonant states in spherical nuclei. As examples, the energies, widths, and wave functions of low-lying neutron resonant states in 120 Sn are obtained. These results are compared with those from the scattering phase-shift method and the analytic continuation in the coupling constant approach and satisfactory agreements are found

  20. Single twistor description of massless, massive, AdS, and other interacting particles

    International Nuclear Information System (INIS)

    Bars, Itzhak; Picon, Moises

    2006-01-01

    The Penrose transform between twistors and the phase space of massless particles is generalized from the massless case to an assortment of other particle dynamical systems, including special examples of massless or massive particles, relativistic or nonrelativistic, interacting or noninteracting, in flat space or curved spaces. Our unified construction involves always the same twistor Z A with only four complex degrees of freedom and subject to the same helicity constraint. Only the twistor to phase space transform differs from one case to another. Hence, a unification of diverse particle dynamical systems is displayed by the fact that they all share the same twistor description. Our single twistor approach seems to be rather different and a strikingly economical construction of twistors compared to other past approaches that introduced multiple twistors to represent some similar but far more limited set of particle phase space systems

  1. 3D dual-virtual-pinhole assisted single particle tracking microscopy

    International Nuclear Information System (INIS)

    Ma, Ye; Wang, Yifan; Zhou, Xin; Kuang, Cuifang; Liu, Xu

    2014-01-01

    We propose a novel approach for high-speed, three-dimensional single particle tracking (SPT), which we refer to as dual-virtual-pinhole assisted single particle tracking microscopy (DVPaSPTM). DVPaSPTM system can obtain axial information of the sample without optical or mechanical depth scanning, so as to offer numbers of advantages including faster imaging, improved efficiency and a great reduction of photobleaching and phototoxicity. In addition, by the use of the dual-virtual-pinhole, the effect that the quantum yield exerts to the fluorescent signal can be eliminated, which makes the measurement independent of the surroundings and increases the accuracy of the result. DVPaSPTM system measures the intensity within different virtual pinholes of which the radii are given by the host computer. Axial information of fluorophores can be measured by the axial response curve through the ratio of intensity signals. We demonstrated the feasibility of the proposed method by a series of experiments. Results showed that the standard deviation of the axial measurement was 19.2 nm over a 2.5 μm range with 30 ms temporal resolution. (papers)

  2. Relative and single particle diffusion estimates determined from smoke plume photographs

    International Nuclear Information System (INIS)

    Nappo, C.J. Jr.

    1978-01-01

    The formula given by Gifford (1959) for obtaining space-varying values of particle dispersion parameters from photographs of smoke puffs and plumes has been applied to high-altitude U-2 photographs of a long smoke plume generated at the Idaho National Engineering Laboratory near Idaho Falls. The turbulence time scale derived from the photographs was found to be in good agreement with estimates obtained within the framework of single- and two-particle diffusion theory applied to wind speed and direction data from a tower near the smoke source

  3. Single particle analysis based on Zernike phase contrast transmission electron microscopy.

    Science.gov (United States)

    Danev, Radostin; Nagayama, Kuniaki

    2008-02-01

    We present the first application of Zernike phase-contrast transmission electron microscopy to single-particle 3D reconstruction of a protein, using GroEL chaperonin as the test specimen. We evaluated the performance of the technique by comparing 3D models derived from Zernike phase contrast imaging, with models from conventional underfocus phase contrast imaging. The same resolution, about 12A, was achieved by both imaging methods. The reconstruction based on Zernike phase contrast data required about 30% fewer particles. The advantages and prospects of each technique are discussed.

  4. Single mimivirus particles intercepted and imaged with an X-ray laser

    Science.gov (United States)

    Seibert, M. Marvin; Ekeberg, Tomas; Maia, Filipe R. N. C.; Svenda, Martin; Andreasson, Jakob; Jönsson, Olof; Odić, Duško; Iwan, Bianca; Rocker, Andrea; Westphal, Daniel; Hantke, Max; DePonte, Daniel P.; Barty, Anton; Schulz, Joachim; Gumprecht, Lars; Coppola, Nicola; Aquila, Andrew; Liang, Mengning; White, Thomas A.; Martin, Andrew; Caleman, Carl; Stern, Stephan; Abergel, Chantal; Seltzer, Virginie; Claverie, Jean-Michel; Bostedt, Christoph; Bozek, John D.; Boutet, Sébastien; Miahnahri, A. Alan; Messerschmidt, Marc; Krzywinski, Jacek; Williams, Garth; Hodgson, Keith O.; Bogan, Michael J.; Hampton, Christina Y.; Sierra, Raymond G.; Starodub, Dmitri; Andersson, Inger; Bajt, Saša; Barthelmess, Miriam; Spence, John C. H.; Fromme, Petra; Weierstall, Uwe; Kirian, Richard; Hunter, Mark; Doak, R. Bruce; Marchesini, Stefano; Hau-Riege, Stefan P.; Frank, Matthias; Shoeman, Robert L.; Lomb, Lukas; Epp, Sascha W.; Hartmann, Robert; Rolles, Daniel; Rudenko, Artem; Schmidt, Carlo; Foucar, Lutz; Kimmel, Nils; Holl, Peter; Rudek, Benedikt; Erk, Benjamin; Hömke, André; Reich, Christian; Pietschner, Daniel; Weidenspointner, Georg; Strüder, Lothar; Hauser, Günter; Gorke, Hubert; Ullrich, Joachim; Schlichting, Ilme; Herrmann, Sven; Schaller, Gerhard; Schopper, Florian; Soltau, Heike; Kühnel, Kai-Uwe; Andritschke, Robert; Schröter, Claus-Dieter; Krasniqi, Faton; Bott, Mario; Schorb, Sebastian; Rupp, Daniela; Adolph, Marcus; Gorkhover, Tais; Hirsemann, Helmut; Potdevin, Guillaume; Graafsma, Heinz; Nilsson, Björn; Chapman, Henry N.; Hajdu, Janos

    2014-01-01

    X-ray lasers offer new capabilities in understanding the structure of biological systems, complex materials and matter under extreme conditions1–4. Very short and extremely bright, coherent X-ray pulses can be used to outrun key damage processes and obtain a single diffraction pattern from a large macromolecule, a virus or a cell before the sample explodes and turns into plasma1. The continuous diffraction pattern of non-crystalline objects permits oversampling and direct phase retrieval2. Here we show that high-quality diffraction data can be obtained with a single X-ray pulse from a non-crystalline biological sample, a single mimivirus particle, which was injected into the pulsed beam of a hard-X-ray free-electron laser, the Linac Coherent Light Source5. Calculations indicate that the energy deposited into the virus by the pulse heated the particle to over 100,000 K after the pulse had left the sample. The reconstructed exit wavefront (image) yielded 32-nm full-period resolution in a single exposure and showed no measurable damage. The reconstruction indicates inhomogeneous arrangement of dense material inside the virion. We expect that significantly higher resolutions will be achieved in such experiments with shorter and brighter photon pulses focused to a smaller area. The resolution in such experiments can be further extended for samples available in multiple identical copies. PMID:21293374

  5. Zero Field Splitting of the chalcogen diatomics using relativistic correlated wave-function methods

    DEFF Research Database (Denmark)

    Rota, Jean-Baptiste; Knecht, Stefan; Fleig, Timo

    2011-01-01

    The spectrum arising from the (π*)2 configuration of the chalcogen dimers, namely the X21, a2 and b0+ states, is calculated using Wave-Function Theory (WFT) based methods. Two-component (2c) and four-component (4c) MultiReference Configuration Interaction (MRCI) and Fock-Space Coupled Cluster (FSCC......) methods are used as well as two-step methods Spin-Orbit Complete Active Space Perturbation Theory at 2nd order (SO-CASPT2) and Spin-Orbit Difference Dedicated Configuration Interaction (SODDCI). The energy of the X21 state corresponds to the Zero-Field Splitting (ZFS) of the ground state spin triplet...

  6. Optical Detection and Sizing of Single Nano-Particles Using Continuous Wetting Films

    Science.gov (United States)

    Hennequin, Yves; McLeod, Euan; Mudanyali, Onur; Migliozzi, Daniel; Ozcan, Aydogan; Dinten, Jean-Marc

    2013-01-01

    The physical interaction between nano-scale objects and liquid interfaces can create unique optical properties, enhancing the signatures of the objects with sub-wavelength features. Here we show that the evaporation on a wetting substrate of a polymer solution containing sub-micrometer or nano-scale particles creates liquid micro-lenses that arise from the local deformations of the continuous wetting film. These micro-lenses have properties similar to axicon lenses that are known to create beams with a long depth of focus. This enhanced depth of focus allows detection of single nanoparticles using a low magnification microscope objective lens, achieving a relatively wide field-of-view, while also lifting the constraints on precise focusing onto the object plane. Hence, by creating these liquid axicon lenses through spatial deformations of a continuous thin wetting film, we transfer the challenge of imaging individual nano-particles to detecting the light focused by these lenses. As a proof of concept, we demonstrate the detection and sizing of single nano-particles (100 and 200 nm), CpGV granuloviruses as well as Staphylococcus epidermidis bacteria over a wide field of view of e.g., 5.10×3.75 mm2 using a ×5 objective lens with a numerical aperture of 0.15. In addition to conventional lens-based microscopy, this continuous wetting film based approach is also applicable to lensfree computational on-chip imaging, which can be used to detect single nano-particles over a large field-of-view of e.g., >20-30 mm2. These results could be especially useful for high-throughput field-analysis of nano-scale objects using compact and cost-effective microscope designs. PMID:23889001

  7. Single-particle and collective excitations in Ni-63

    OpenAIRE

    Albers, M.; Zhu, S.; Janssens, R. V. F.; Gellanki, Jnaneswari; Ragnarsson, Ingemar; Alcorta, M.; Baugher, T.; Bertone, P. F.; Carpenter, M. P.; Chiara, C. J.; Chowdhury, P.; Deacon, A. N.; Gade, A.; DiGiovine, B.; Hoffman, C. R.

    2013-01-01

    A study of excited states in Ni-63 up to an excitation energy of 28 MeV and a probable spin of 57/2 was carried out with the Mg-26(Ca-48,2 alpha 3n gamma)Ni-63 reaction at beam energies between 275 and 320 MeV. Three collective bands, built upon states of single-particle character, were identified. For two of the three bands, the transition quadrupole moments were extracted, herewith quantifying the deformation at high spin. The results have been compared with shell-model and cranked Nilsson-...

  8. Micromanipulation and pick-up system for X-Ray diffraction characterization of micrometer-sized single particles

    International Nuclear Information System (INIS)

    Takeichi, Y; Inami, N; Saito, K; Otori, H; Sagayama, R; Kumai, R; Ono, K; Ueno, T

    2014-01-01

    We describe a micromanipulation and pick-up system for preparing a micrometer-sized single particle for X-ray diffraction characterization. Combining a microgripper based on microelectromechanical systems, piezo-motor-driven linear stages, and a gamepad, the system provides precise and intuitive handling of the object. Single-crystal X-ray diffraction measurements of Sm-Fe-N permanent magnet were performed using this system. We also describe a method to distinguish crystallographically homogeneous particles found in powder-form samples.

  9. The single- and double-particle properties and the current reversal of coupled Brownian motors

    International Nuclear Information System (INIS)

    Li, Chen-Pu; Chen, Hong-Bin; Zheng, Zhi-Gang; Fan, Hong; Shen, Wen-Mei

    2017-01-01

    In this paper, we investigate the directed transport of coupled Brownian motors composed of two identical particles which is individually subject to a time-symmetric rocking force in spatially-symmetric periodic potentials. We find that both the coupling free length and the coupling strength can induce the reversed motion of the coupled Brownian motors, the essence of which is the coupled Brownian motors can exhibit completely different single- or double-particle properties under certain conditions. Namely, the current reversal is the result of the mutual conversion between the single- and double-particle properties of the coupled Brownian motors. Moreover, the directed current of coupled Brownian motors can be optimized and manipulated by adjusting the strength, the period, the phase difference of the rocking forces, and the noise intensity. (paper)

  10. Two quasi-particle excitations with particle-hole core polarization in even-even single closed shell nuclei

    International Nuclear Information System (INIS)

    Gillet, V.; Giraud, B.; Rho, M.

    1976-01-01

    The energy levels and transition properties of the even-even N=28, 50 isotones and Z=28, 50, 82 isotopes are calculated in the framework of the Tamm-Dancoff and Random Phase Approximation, with an effective central interaction in an extended space consisting of two quasi-particle configurations for the open shell and particle-hole configurations for the closed core. Using the results of the Inverse Gap Equation Method, practically all the necessary input data (single quasi-particle energies, force strength) are extracted from the odd-mass nuclei. The ratios of the force components are kept at fixed values for all studied nuclei and no effective charge is used. An overall excellent agreement is obtained for the energies of the vibrational states. On the other hand, while the transition properties of the 3 - states are always well reproduced, those of the 2 + and 4 + states are often too small by about one order of magnitude [fr

  11. Efficiencies of dynamic Monte Carlo algorithms for off-lattice particle systems with a single impurity

    KAUST Repository

    Novotny, M.A.; Watanabe, Hiroshi; Ito, Nobuyasu

    2010-01-01

    The efficiency of dynamic Monte Carlo algorithms for off-lattice systems composed of particles is studied for the case of a single impurity particle. The theoretical efficiencies of the rejection-free method and of the Monte Carlo with Absorbing

  12. Wavefunction and energy of the 1s22sns configuration in a beryllium atom

    International Nuclear Information System (INIS)

    Huang Shizhong; Ma Kun; Yu Jiaming; Liu Fen

    2008-01-01

    A new set of trial functions for 1s 2 2sns configurations in a beryllium atom is suggested. A Mathematica program based on the variational method is developed to calculate the wavefunctions and energies of 1s 2 2sns (n = 3–6) configurations in a beryllium atom. Non-relativistic energy, polarization correction and relativistic correction which include mass correction, one-and two-body Darwin corrections, spin-spin contact interaction and orbit-orbit interaction, are calculated respectively. The results are in good agreement with experimental data. (atomic and molecular physics)

  13. Magnetic properties and electronic structure of neptunyl(VI) complexes: wavefunctions, orbitals, and crystal-field models

    Energy Technology Data Exchange (ETDEWEB)

    Gendron, Frederic; Pritchard, Ben; Autschbach, Jochen [Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY (United States); Paez-Hernandez, Dayan; Bolvin, Helene [Laboratoire de Physique et de Chimie Quantiques, Universite Toulouse 3 (France); Notter, Francois-Paul [Laboratoire de Chimie Quantique, Universite de Strasbourg (France)

    2014-06-23

    The electronic structure and magnetic properties of neptunyl(VI), NpO{sub 2}{sup 2+}, and two neptunyl complexes, [NpO{sub 2}(NO{sub 3}){sub 3}]{sup -} and [NpO{sub 2}Cl{sub 4}]{sup 2-}, were studied with a combination of theoretical methods: ab initio relativistic wavefunction methods and density functional theory (DFT), as well as crystal-field (CF) models with parameters extracted from the ab initio calculations. Natural orbitals for electron density and spin magnetization from wavefunctions including spin-orbit coupling were employed to analyze the connection between the electronic structure and magnetic properties, and to link the results from CF models to the ab initio data. Free complex ions and systems embedded in a crystal environment were studied. Of prime interest were the electron paramagnetic resonance g-factors and their relation to the complex geometry, ligand coordination, and nature of the nonbonding 5f orbitals. The g-factors were calculated for the ground and excited states. For [NpO{sub 2}Cl{sub 4}]{sup 2-}, a strong influence of the environment of the complex on its magnetic behavior was demonstrated. Kohn-Sham DFT with standard functionals can produce reasonable g-factors as long as the calculation converges to a solution resembling the electronic state of interest. However, this is not always straightforward. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. A signed particle formulation of non-relativistic quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Sellier, Jean Michel, E-mail: jeanmichel.sellier@parallel.bas.bg

    2015-09-15

    A formulation of non-relativistic quantum mechanics in terms of Newtonian particles is presented in the shape of a set of three postulates. In this new theory, quantum systems are described by ensembles of signed particles which behave as field-less classical objects which carry a negative or positive sign and interact with an external potential by means of creation and annihilation events only. This approach is shown to be a generalization of the signed particle Wigner Monte Carlo method which reconstructs the time-dependent Wigner quasi-distribution function of a system and, therefore, the corresponding Schrödinger time-dependent wave-function. Its classical limit is discussed and a physical interpretation, based on experimental evidences coming from quantum tomography, is suggested. Moreover, in order to show the advantages brought by this novel formulation, a straightforward extension to relativistic effects is discussed. To conclude, quantum tunnelling numerical experiments are performed to show the validity of the suggested approach.

  15. Single particle transfer for quantitative analysis with total-reflection X-ray fluorescence spectrometry

    International Nuclear Information System (INIS)

    Esaka, Fumitaka; Esaka, Konomi T.; Magara, Masaaki; Sakurai, Satoshi; Usuda, Shigekazu; Watanabe, Kazuo

    2006-01-01

    The technique of single particle transfer was applied to quantitative analysis with total-reflection X-ray fluorescence (TXRF) spectrometry. The technique was evaluated by performing quantitative analysis of individual Cu particles with diameters between 3.9 and 13.2 μm. The direct quantitative analysis of the Cu particle transferred onto a Si carrier gave a discrepancy between measured and calculated Cu amounts due to the absorption effects of incident and fluorescent X-rays within the particle. By the correction for the absorption effects, the Cu amounts in individual particles could be determined with the deviation within 10.5%. When the Cu particles were dissolved with HNO 3 solution prior to the TXRF analysis, the deviation was improved to be within 3.8%. In this case, no correction for the absorption effects was needed for quantification

  16. Preparation of rod-like β-Si3N4 single crystal particles

    International Nuclear Information System (INIS)

    Hirao, K.; Tsuge, A.; Brito, M.E.; Kanzaki, S.

    1994-01-01

    The use of β-Si 3 N 4 particles as a seed material has been demonstrated to be effective for development of a self-reinforcing microstructure in sintered silicon nitride ceramics. We have confirmed the seeding effect and arrived at a concept that seed particles should consist of rod-like single crystals free from defects and with a large diameter. The present work describes our attempts to produce such particles with a controlled morphology and in high amount. β-Si 3 N 4 particles with a diameter of 1μm and length of 5μm were obtained by heating a mixture of α-Si 3 N 4 , SiO 2 and Y 2 O 3 , followed by acid rinse treatments to remove residual glassy phase. (orig.)

  17. Single-particle measurements of bouncing particles and in situ collection efficiency from an airborne aerosol mass spectrometer (AMS) with light-scattering detection

    Science.gov (United States)

    Liao, Jin; Brock, Charles A.; Murphy, Daniel M.; Sueper, Donna T.; Welti, André; Middlebrook, Ann M.

    2017-10-01

    A light-scattering module was coupled to an airborne, compact time-of-flight aerosol mass spectrometer (LS-AMS) to investigate collection efficiency (CE) while obtaining nonrefractory aerosol chemical composition measurements during the Southeast Nexus (SENEX) campaign. In this instrument, particles scatter light from an internal laser beam and trigger saving individual particle mass spectra. Nearly all of the single-particle data with mass spectra that were triggered by scattered light signals were from particles larger than ˜ 280 nm in vacuum aerodynamic diameter. Over 33 000 particles are characterized as either prompt (27 %), delayed (15 %), or null (58 %), according to the time and intensity of their total mass spectral signals. The particle mass from single-particle spectra is proportional to that derived from the light-scattering diameter (dva-LS) but not to that from the particle time-of-flight (PToF) diameter (dva-MS) from the time of the maximum mass spectral signal. The total mass spectral signal from delayed particles was about 80 % of that from prompt ones for the same dva-LS. Both field and laboratory data indicate that the relative intensities of various ions in the prompt spectra show more fragmentation compared to the delayed spectra. The particles with a delayed mass spectral signal likely bounced off the vaporizer and vaporized later on another surface within the confines of the ionization source. Because delayed particles are detected by the mass spectrometer later than expected from their dva-LS size, they can affect the interpretation of particle size (PToF) mass distributions, especially at larger sizes. The CE, measured by the average number or mass fractions of particles optically detected that had measurable mass spectra, varied significantly (0.2-0.9) in different air masses. The measured CE agreed well with a previous parameterization when CE > 0.5 for acidic particles but was sometimes lower than the minimum parameterized CE of 0.5.

  18. Single-particle properties of the Hubbard model in a novel three-pole approximation

    Science.gov (United States)

    Di Ciolo, Andrea; Avella, Adolfo

    2018-05-01

    We study the 2D Hubbard model using the Composite Operator Method within a novel three-pole approximation. Motivated by the long-standing experimental puzzle of the single-particle properties of the underdoped cuprates, we include in the operatorial basis, together with the usual Hubbard operators, a field describing the electronic transitions dressed by the nearest-neighbor spin fluctuations, which play a crucial role in the unconventional behavior of the Fermi surface and of the electronic dispersion. Then, we adopt this approximation to study the single-particle properties in the strong coupling regime and find an unexpected behavior of the van Hove singularity that can be seen as a precursor of a pseudogap regime.

  19. Control of cancer growth using single input autonomous fuzzy Nano-particles

    Directory of Open Access Journals (Sweden)

    Fahimeh Razmi

    2015-04-01

    Full Text Available In this paper a single input fuzzy controller is applied on autonomous drug-encapsulated nanoparticles (ADENPs to restrict the cancer growth. The proposed ADENPs, swarmly release the drug in local cancerous tissue and effectively decreases the destruction of normal tissue. The amount of released drug is defined considering to feed backed values of tumor growth rate and the used drug. Some significant characteristics of Nano particles compared to Nano-robots is their ability to recognize the cancerous tissue from the normal one and their simple structure. Nano particles became an attractive topic in Nano science and many efforts have been done to manufacture these particles. Simulation results show that the proposed controlling method not only decreases the cancerous tissue effectively but also reduces the side effects of drug impressively.

  20. Single particle nonlocality, geometric phases and time-dependent boundary conditions

    Science.gov (United States)

    Matzkin, A.

    2018-03-01

    We investigate the issue of single particle nonlocality in a quantum system subjected to time-dependent boundary conditions. We discuss earlier claims according to which the quantum state of a particle remaining localized at the center of an infinite well with moving walls would be specifically modified by the change in boundary conditions due to the wall’s motion. We first prove that the evolution of an initially localized Gaussian state is not affected nonlocally by a linearly moving wall: as long as the quantum state has negligible amplitude near the wall, the boundary motion has no effect. This result is further extended to related confined time-dependent oscillators in which the boundary’s motion is known to give rise to geometric phases: for a Gaussian state remaining localized far from the boundaries, the effect of the geometric phases is washed out and the particle dynamics shows no traces of a nonlocal influence that would be induced by the moving boundaries.

  1. A single particle energies

    International Nuclear Information System (INIS)

    Bodmer, A.R.; Usmani, Q.N.; Sami, M.

    1993-01-01

    We consider the binding energies of Λ hypernuclei (HN), in particular the single-particle (s.p.) energy data, which have been obtained for a wide range of HN with mass numbers A ≤ 89 and for orbital angular momenta ell Λ ≤ 4. We briefly review some of the relevant properties of A hypernuclei. These are nuclei Λ A Z with baryon number A in which a single Λ hyperon (baryon number = 1) is bound to an ordinary nucleus A Z consisting of A - 1 nucleons = Z protons + N neutrons. The Λ hyperon is neutral, has spin 1/2, strangeness S = -1, isospin I = O and a mass M Λ = 1116 MeV/c 2 . Although the Λ interacts with a nucleon, its interaction is only about half as strong as that between two nucleons, and thus very roughly V ΛN ∼ 0.5 V NN . As a result, the two-body ΛN system is unbound, and the lightest bound HN is the three-body hypertriton Λ 3 H in which the Λ is bound to a deuteron with the Λ-d separation energy being only ∼ 0.1 MeV corresponding to an exponential tail of radius ∼ 15 fm exclamation point In strong interactions the strangeness S is of course conserved, and the Λ is distinct from the nucleons. In a HN strangeness changes only in the weak decays of the Λ which can decay either via ''free'' pionic decay Λ → N + π or via induced decay Λ + N → N + N which is only possible in the presence of nucleons. Because of the small energy release the pionic decay is strongly suppressed in all but the lightest HN and the induced decay dominates. However, the weak decay lifetime ∼ 10 -10 s is in fact close to the lifetime of a free Λ. Since this is much longer than the strong interaction time ∼ 10 -22 s we can ignore the weak interactions when considering the binding of HN, just as for ordinary nuclei

  2. Single-shot LIBS spectral quality for waste particles in open air

    NARCIS (Netherlands)

    Xia, H.; Bakker, M.C.M.

    2015-01-01

    This work investigates the ability of LIBS to produce quality spectra from small particles of concrete demolition waste using single-shot spectra collected in open air. The 2–8?mm materials are rounded river gravel, green glass shards, and plastic flakes. Considered are focal length, air, moisture,

  3. Definition of a magnetic susceptibility of conglomerates with magnetite particles. Particularities of defining single particle susceptibility

    Science.gov (United States)

    Sandulyak, A. A.; Sandulyak, A. V.; Ershova, V.; Pamme, N.; Ngmasom, B.; Iles, A.

    2017-11-01

    Data of a magnetic susceptibility of ferro-and the ferrimagnetic particles of many technogenic, natural, special media are especially demanded for the solution of various tasks connected with purposeful magnetic impact on these particles. One of productive approaches to definition of a magnetic susceptibility χ of these particles consists in receiving experimental data of a susceptibility of disperse samples 〈 χ 〉 with a disperse phase of these particles. The paper expounds and analyses the results of experiments on defining (by Faraday method in a magnetic field with intensity H = 90-730 kA/m) the magnetic susceptibility 〈 χ 〉 of disperse samples (conglomerates) with a given volume ratio γ of magnetite particles (γ = 0.0065-0.25). The corresponding families of concentration and field dependences are provided alongside with discussing the applicability of linear and exponential functions to describe these dependences. We consider the possibility of defining single particles susceptibility χ (with simultaneous obtaining field dependence of this susceptibility) by the commonly used relation χ = 〈 χ 〉 /γ both at relatively small (preferable for accuracy reasons) values γ - to γ = 0.02…0.025, as well as at increased values γ - up to γ = 0.25. The data χ are provided depending on H and correlating with known data at H matter magnetic susceptibility χm (for the case when the particles are traditionally likened to balls with the characteristic for them demagnetising factor equalling 1/3) complies with the anticipated inverse function χm ∼ 1/H in the studied area H (where magnetization M expressed as M = χH reaches saturation M = Const).

  4. Role of bumpy fields on single particle orbit in near quasihelically symmetric stellarators

    International Nuclear Information System (INIS)

    Seol, JaeChun; Hegna, C.C.

    2004-01-01

    The role of symmetry breaking on single particle orbits in near helically symmetric stellarators is investigated. In particular, the effect of a symmetry-breaking bumpy term is included in the analysis of trapped particle orbits. It is found that all trapped particle drift orbits are determined by surfaces on which vertical bar B vertical bar min is constant. Trapped particle orbits reside on these surfaces regardless of pitch angle and are determined solely by the initial position and the shape of the vertical bar B vertical bar min contour. Since vertical bar B vertical bar min contours do not depend on the direction of the banana center motion, superbanana orbits do not appear

  5. The principle of the indistinguishability of identical particles and the Lie algebraic approach to the field quantisation

    International Nuclear Information System (INIS)

    Govorkov, A.B.

    1980-01-01

    The density matrix, rather than the wavefunction describing the system of a fixed number of non-relativistic identical particles, is subject to the second quantisation. Here the bilinear operators which move a particle from a given state to another appear and satisfy the Lie algebraic relations of the unitary group SU(rho) when the dimension rho→infinity. The drawing into consideration of the system with a variable number of particles implies the extension of this algebra into one of the simple Lie algebras of classical (orthogonal, symplectic or unitary) groups in the even-dimensional spaces. These Lie algebras correspond to the para-Fermi-, para-Bose- and para-uniquantisation of fields, respectively. (author)

  6. Standard Practice for Continuous Sizing and Counting of Airborne Particles in Dust-Controlled Areas and Clean Rooms Using Instruments Capable of Detecting Single Sub-Micrometre and Larger Particles

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2007-01-01

    1.1 This practice covers the determination of the particle concentration, by number, and the size distribution of airborne particles in dust-controlled areas and clean rooms, for particles in the size range of approximately 0.01 to 5.0 m. Particle concentrations not exceeding 3.5 106 particles/m3 (100 000/ft 3) are covered for all particles equal to and larger than the minimum size measured. 1.2 This practice uses an airborne single particle counting device (SPC) whose operation is based on measuring the signal produced by an individual particle passing through the sensing zone. The signal must be directly or indirectly related to particle size. Note 1The SPC type is not specified here. The SPC can be a conventional optical particle counter (OPC), an aerodynamic particle sizer, a condensation nucleus counter (CNC) operating in conjunction with a diffusion battery or differential mobility analyzer, or any other device capable of counting and sizing single particles in the size range of concern and of sampling...

  7. ORBXYZ: a 3D single-particle orbit code for following charged-particle trajectories in equilibrium magnetic fields

    International Nuclear Information System (INIS)

    Anderson, D.V.; Cohen, R.H.; Ferguson, J.R.; Johnston, B.M.; Sharp, C.B.; Willmann, P.A.

    1981-01-01

    The single particle orbit code, TIBRO, has been modified extensively to improve the interpolation methods used and to allow use of vector potential fields in the simulation of charged particle orbits on a 3D domain. A 3D cubic B-spline algorithm is used to generate spline coefficients used in the interpolation. Smooth and accurate field representations are obtained. When vector potential fields are used, the 3D cubic spline interpolation formula analytically generates the magnetic field used to push the particles. This field has del.BETA = 0 to computer roundoff. When magnetic induction is used the interpolation allows del.BETA does not equal 0, which can lead to significant nonphysical results. Presently the code assumes quadrupole symmetry, but this is not an essential feature of the code and could be easily removed for other applications. Many details pertaining to this code are given on microfiche accompanying this report

  8. DECAY MODES OF HIGH-LYING SINGLE-PARTICLE STATES IN PB-209

    NARCIS (Netherlands)

    BEAUMEL, D; FORTIER, S; GALES, S; GUILLOT, J; LANGEVINJOLIOT, H; LAURENT, H; MAISON, JM; VERNOTTE, J; BORDEWIJK, JA; BRANDENBURG, S; KRASZNAHORKAY, A; CRAWLEY, GM; MASSOLO, CP; RENTERIA, M

    The neutron decay of high-lying single-particle states in Pb-209 excited by means of the (alpha, He-3) reaction has been investigated at 122 MeV incident energy using a multidetector array. The high-spin values of these states, inferred from previous inclusive experiments, are confirmed by the

  9. The Generalized Quantum Statistics

    OpenAIRE

    Hwang, WonYoung; Ji, Jeong-Young; Hong, Jongbae

    1999-01-01

    The concept of wavefunction reduction should be introduced to standard quantum mechanics in any physical processes where effective reduction of wavefunction occurs, as well as in the measurement processes. When the overlap is negligible, each particle obey Maxwell-Boltzmann statistics even if the particles are in principle described by totally symmetrized wavefunction [P.R.Holland, The Quantum Theory of Motion, Cambridge Unversity Press, 1993, p293]. We generalize the conjecture. That is, par...

  10. Decay properties of high-lying single-particles modes

    Science.gov (United States)

    Beaumel, D.; Fortier, S.; Galès, S.; Guillot, J.; Langevin-Joliot, H.; Laurent, H.; Maison, J. M.; Vernotte, J.; Bordewijck, J.; Brandenburg, S.; Krasznahorkay, A.; Crawley, G. M.; Massolo, C. P.; Renteria, M.; Khendriche, A.

    1996-02-01

    The neutron decay of high-lying single-particle states in 64Ni, 90Zr, 120Sn and 208Pb excited by means of the (α, 3He) reaction has been investigated at 120 MeV incident energy using the multidetector EDEN. The characteristics of this reaction are studied using inclusive spectra and angular correlation analysis. The structure located between 11 and 15 MeV in 91Zr, and between 8 and 12 MeV excitation energy in 209Pb display large departures from a pure statistical decay. The corresponding non-statistical branching ratios are compared with the results of two theoretical calculations.

  11. Thermodynamics of phase-separating nanoalloys: Single particles and particle assemblies

    Science.gov (United States)

    Fèvre, Mathieu; Le Bouar, Yann; Finel, Alphonse

    2018-05-01

    The aim of this paper is to investigate the consequences of finite-size effects on the thermodynamics of nanoparticle assemblies and isolated particles. We consider a binary phase-separating alloy with a negligible atomic size mismatch, and equilibrium states are computed using off-lattice Monte Carlo simulations in several thermodynamic ensembles. First, a semi-grand-canonical ensemble is used to describe infinite assemblies of particles with the same size. When decreasing the particle size, we obtain a significant decrease of the solid/liquid transition temperatures as well as a growing asymmetry of the solid-state miscibility gap related to surface segregation effects. Second, a canonical ensemble is used to analyze the thermodynamic equilibrium of finite monodisperse particle assemblies. Using a general thermodynamic formulation, we show that a particle assembly may split into two subassemblies of identical particles. Moreover, if the overall average canonical concentration belongs to a discrete spectrum, the subassembly concentrations are equal to the semi-grand-canonical equilibrium ones. We also show that the equilibrium of a particle assembly with a prescribed size distribution combines a size effect and the fact that a given particle size assembly can adopt two configurations. Finally, we have considered the thermodynamics of an isolated particle to analyze whether a phase separation can be defined within a particle. When studying rather large nanoparticles, we found that the region in which a two-phase domain can be identified inside a particle is well below the bulk phase diagram, but the concentration of the homogeneous core remains very close to the bulk solubility limit.

  12. Inside versus Outside: Ion Redistribution in Nitric Acid Reacted Sea Spray Aerosol Particles as Determined by Single Particle Analysis (Invited)

    Science.gov (United States)

    Ault, A. P.; Guasco, T.; Ryder, O. S.; Baltrusaitis, J.; Cuadra-Rodriguez, L. A.; Collins, D. B.; Ruppel, M. J.; Bertram, T. H.; Prather, K. A.; Grassian, V. H.

    2013-12-01

    Sea spray aerosol (SSA) particles were generated under real-world conditions using natural seawater and a unique ocean-atmosphere facility equipped with actual breaking waves or a marine aerosol reference tank (MART) that replicates those conditions. The SSA particles were exposed to nitric acid in situ in a flow tube and the well-known chloride displacement and nitrate formation reaction was observed. However, as discussed here, little is known about how this anion displacement reaction affects the distribution of cations and other chemical constituents within and phase state of individual SSA particles. Single particle analysis of individual SSA particles shows that cations (Na+, K+, Mg2+ and Ca2+) within individual particles undergo a spatial redistribution after heterogeneous reaction with nitric acid, along with a more concentrated layer of organic matter at the surface of the particle. These data suggest that specific ion and aerosol pH effects play an important role in aerosol particle structure in ways that have not been previously recognized. The ordering of organic coatings can impact trace gas uptake, and subsequently impact trace gas budgets of O3 and NOx.

  13. Single-particle spectra and magnetic field effects within precursor superconductivity

    International Nuclear Information System (INIS)

    Pieri, P.; Pisani, L.; Strinati, G.C.; Perali, A.

    2004-01-01

    We study the single-particle spectra below the superconducting critical temperature from weak to strong coupling within a precursor superconductivity scenario. The spectral-weight function is obtained from a self-energy that includes pairing-fluctuations within a continuum model representing the hot spots of the Brillouin zone. The effects of strong magnetic fields on the pseudogap temperature are also discussed within the same scenario

  14. Single particle level scheme for alpha decay

    International Nuclear Information System (INIS)

    Mirea, M.

    1998-01-01

    The fine structure phenomenon in alpha decay was evidenced by Rosenblum. In this process the kinetic energy of the emitted particle has several determined values related to the structure of the parent and the daughter nucleus. The probability to find the daughter in a low lying state was considered strongly dependent on the spectroscopic factor defined as the square of overlap between the wave function of the parent in the ground state and the wave functions of the specific excited states of the daughter. This treatment provides a qualitative agreement with the experimental results if the variations of the penetrability between different excited states are neglected. Based on single particle structure during fission, a new formalism explained quantitatively the fine structure of the cluster decay. It was suggested that this formalism can be applied also to alpha decay. For this purpose, the first step is to construct the level scheme of this type of decay. Such a scheme, obtained with the super-asymmetric two-center potential, is plotted for the alpha decay of 223 Ra. It is interesting to note that, diabatically, the level with spin 3/2 emerging from 1i 11/2 (ground state of the parent) reaches an excited state of the daughter in agreement with the experiment. (author)

  15. Towards single particle imaging of human chromosomes at SACLA

    International Nuclear Information System (INIS)

    Robinson, Ian; Schwenke, Joerg; Yusuf, Mohammed; Estandarte, Ana; Zhang, Fucai; Chen, Bo; Clark, Jesse; Song, Changyong; Nam, Daewoong; Joti, Yasumasa; Tono, Kensuke; Yabashi, Makina; Ratnasari, Gina; Kaneyoshi, Kohei; Takata, Hideaki; Fukui, Kiichi

    2015-01-01

    Single particle imaging (SPI) is one of the front-page opportunities which were used to motivate the construction of the first x-ray free electron lasers (XFELs). SPI’s big advantage is that it avoids radiation damage to biological samples because the diffraction takes place in femtosecond single shots before any atomic motion can take place in the sample, hence before the onset of radiation damage. This is the ‘diffract before destruction’ theme, destruction being assured from the high x-ray doses used. This article reports our collaboration’s first attempt at SPI using the SACLA XFEL facility in June 2015. The report is limited to experience with the instrumentation and examples of data because we have not yet had time to invert them to images. (paper)

  16. Biological effects of single HZE-particles of the cosmic radiation: Free Flyer Biostack

    International Nuclear Information System (INIS)

    1989-01-01

    The Free Flyer Biostack is designed as a passive, longer term experiment for investigations into the dosimetry of cosmic HZE particles (high-charge energetic particles), the effects of single HZE particles on isolated biological samples, and the synergistic effects of conditions in space, as e.g. zero gravity and presence of a permanent, weakly ionizing component of the cosmic radiation. For the experiments summarized in this project report, the AgCl detector type developed in Frankfurt has been used, consisting of monocrystalline AgCl films, about 130-150 μm thick, and doped with 5000 ppm of Cd. (DG) With 9 figs [de

  17. Inversion of single-particle levels in nuclear Hartree-Fock and Brueckner-HF calculations with broken symmetry

    International Nuclear Information System (INIS)

    Becker, R.L.; Svenne, J.P.

    1975-12-01

    Energy levels of states connected by a symmetry of the Hamiltonian normally should be degenerate. In self-consistent field theories, when only one of a pair of single-particle levels connected by a symmetry of the full Hamiltonian is occupied, the degeneracy is split and the unoccupied level often lies below the occupied one. Inversions of neutron-proton (charge) and time-reversal doublets in odd nuclei, charge doublets in even nuclei with a neutron excess, and spin-orbit doublets in spherical configurations with spin-unsaturated shells are examined. The origin of the level inversion is investigated, and the following explanation offered. Unoccupied single-particle levels, from a calculation in an A-particle system, should be interpreted as levels of the (A + 1)-particle system. When the symmetry-related level, occupied in the A-particle system, is also calculated in the (A + 1)-particle system it is degenerate with or lies lower than the other. That is, when both levels are calculated in the (A + 1)-particle system, they are not inverted. It is demonstrated that the usual prescription to occupy the lowest-lying orbitals should be modified to refer to the single-particle energies calculated in the (A + 1)- or the (A - 1)-particle system. This observation is shown to provide a justification for avoiding an oscillation of occupancy between symmetry-related partners in successive iterations leading to a self-consistency. It is pointed out that two degenerate determinants arise from occupying one or the other partner of an initially degenerate pair of levels and then iterating to self-consistency. The existence of the degenerate determinants indicates the need for introducing correlations, either by mixing the two configurations or by allowing additional symmetry-breaking (resulting in a more highly deformed non-degenerate configuration). 2 figures, 3 tables, 43 references

  18. Single particle characterization, source apportionment, and aging effects of ambient aerosols in Southern California

    Science.gov (United States)

    Shields, Laura Grace

    Composed of a mixture of chemical species and phases and existing in a variety of shapes and sizes, atmospheric aerosols are complex and can have serious influence on human health, the environment, and climate. In order to better understand the impact of aerosols on local to global scales, detailed measurements on the physical and chemical properties of ambient particles are essential. In addition, knowing the origin or the source of the aerosols is important for policymakers to implement targeted regulations and effective control strategies to reduce air pollution in their region. One of the most ground breaking techniques in aerosol instrumentation is single particle mass spectrometry (SPMS), which can provide online chemical composition and size information on the individual particle level. The primary focus of this work is to further improve the ability of one specific SPMS technique, aerosol time-of-flight mass spectrometry (ATOFMS), for the use of identifying the specific origin of ambient aerosols, which is known as source apportionment. The ATOFMS source apportionment method utilizes a library of distinct source mass spectral signatures to match the chemical information of the single ambient particles. The unique signatures are obtained in controlled source characterization studies, such as with the exhaust emissions of heavy duty diesel vehicles (HDDV) operating on a dynamometer. The apportionment of ambient aerosols is complicated by the chemical and physical processes an individual particle can undergo as it spends time in the atmosphere, which is referred to as "aging" of the aerosol. Therefore, the performance of the source signature library technique was investigated on the ambient dataset of the highly aged environment of Riverside, California. Additionally, two specific subsets of the Riverside dataset (ultrafine particles and particles containing trace metals), which are known to cause adverse health effects, were probed in greater detail. Finally

  19. Detection of charged particles with a methylammonium lead tribromide perovskite single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qiang [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Wei, Haotong; Wei, Wei [Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States); Chuirazzi, William; DeSantis, Dylan [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Huang, Jinsong, E-mail: jhuang2@unl.edu [Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States); Cao, Lei, E-mail: cao.152@osu.edu [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)

    2017-03-11

    Methylammonium lead tribromide (MAPbBr{sub 3}) perovskite crystals have attracted significant attention due to their attractive performance in various optoelectronic applications such as solar cells, light-emitting devices, photodetectors, and recently in X-ray detectors. In this study, we demonstrate a possible use of perovskite-based devices for detection of charged particles (which can be applied in basic scientific research, health physics, and environmental analysis) and investigate the mechanism of fundamental charge transport inside perovskite crystals. It was found that inexpensive MAPbBr{sub 3} single crystals could be used for measuring the energy spectrum of charged particles through direct collection of the produced charge. After fitting the plot of the centroid peak position versus voltage with the Hecht equation for single-polarity charge transport, the obtained hole mobility-lifetime product was in the range of (0.4–1.6)×10{sup −3} cm{sup 2}/V.

  20. Innovative molecular-based fluorescent nanoparticles for multicolor single particle tracking in cells

    International Nuclear Information System (INIS)

    Daniel, Jonathan; Blanchard-Desce, Mireille; Godin, Antoine G; Palayret, Matthieu; Lounis, Brahim; Cognet, Laurent

    2016-01-01

    Based on an original molecular-based design, we present bright and photostable fluorescent organic nanoparticles (FONs) showing excellent colloidal stability in various aqueous environments. Complementary near-infrared emitting and green emitting FONs were prepared using a simple, fast and robust protocol. Both types of FONs could be simultaneously imaged at the single-particle level in solution as well as in biological environments using a monochromatic excitation and a dual-color fluorescence microscope. No evidence of acute cytotoxicity was found upon incubation of live cells with mixed solutions of FONs, and both types of nanoparticles were found internalized in the cells where their motion could be simultaneously tracked at video-rate up to minutes. These fluorescent organic nanoparticles open a novel non-toxic alternative to existing nanoparticles for imaging biological structures, compatible with live-cell experiments and specially fitted for multicolor single particle tracking. (paper)

  1. Detection of charged particles with a methylammonium lead tribromide perovskite single crystal

    International Nuclear Information System (INIS)

    Xu, Qiang; Wei, Haotong; Wei, Wei; Chuirazzi, William; DeSantis, Dylan; Huang, Jinsong; Cao, Lei

    2017-01-01

    Methylammonium lead tribromide (MAPbBr_3) perovskite crystals have attracted significant attention due to their attractive performance in various optoelectronic applications such as solar cells, light-emitting devices, photodetectors, and recently in X-ray detectors. In this study, we demonstrate a possible use of perovskite-based devices for detection of charged particles (which can be applied in basic scientific research, health physics, and environmental analysis) and investigate the mechanism of fundamental charge transport inside perovskite crystals. It was found that inexpensive MAPbBr_3 single crystals could be used for measuring the energy spectrum of charged particles through direct collection of the produced charge. After fitting the plot of the centroid peak position versus voltage with the Hecht equation for single-polarity charge transport, the obtained hole mobility-lifetime product was in the range of (0.4–1.6)×10"−"3 cm"2/V.

  2. The influence of transport phenomena on the fluidized bed combustion of a single carbon particle

    NARCIS (Netherlands)

    Prins, W.; van Swaaij, Willibrordus Petrus Maria

    1990-01-01

    The burning rate and temperature of the carbon particles are known to affect the efficiency of a fluidized bed combustor, and also the emission levels of undesired noxious components. The main results of an extensive study on the fluidized bed combustion behaviour of a single carbon particle [1] are

  3. Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

    Science.gov (United States)

    Wang, Xiao-Gang; Carrington, Tucker

    2018-02-01

    We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

  4. Technical Note: The single particle soot photometer fails to reliably detect PALAS soot nanoparticles

    Directory of Open Access Journals (Sweden)

    M. Gysel

    2012-12-01

    Full Text Available The single particle soot photometer (SP2 uses laser-induced incandescence (LII for the measurement of atmospheric black carbon (BC particles. The BC mass concentration is obtained by combining quantitative detection of BC mass in single particles with a counting efficiency of 100% above its lower detection limit. It is commonly accepted that a particle must contain at least several tenths of a femtogram BC in order to be detected by the SP2.

    Here we show the result that most BC particles from a PALAS spark discharge soot generator remain undetected by the SP2, even if their BC mass, as independently determined with an aerosol particle mass analyser (APM, is clearly above the typical lower detection limit of the SP2. Comparison of counting efficiency and effective density data of PALAS soot with flame generated soot (combustion aerosol standard burner, CAST, fullerene soot and carbon black particles (Cabot Regal 400R reveals that particle morphology can affect the SP2's lower detection limit. PALAS soot particles are fractal-like agglomerates of very small primary particles with a low fractal dimension, resulting in a very low effective density. Such loosely packed particles behave like "the sum of individual primary particles" in the SP2's laser. Accordingly, most PALAS soot particles remain undetected as the SP2's laser intensity is insufficient to heat the primary particles to their vaporisation temperature because of their small size (Dpp ≈ 5–10 nm. Previous knowledge from pulsed laser-induced incandescence indicated that particle morphology might have an effect on the SP2's lower detection limit, however, an increase of the lower detection limit by a factor of ∼5–10, as reported here for PALAS soot, was not expected.

    In conclusion, the SP2's lower detection limit at a certain laser power depends primarily on the total BC mass per particle for compact particles with sufficiently high effective

  5. Multi-color single particle tracking with quantum dots.

    Directory of Open Access Journals (Sweden)

    Eva C Arnspang

    Full Text Available Quantum dots (QDs have long promised to revolutionize fluorescence detection to include even applications requiring simultaneous multi-species detection at single molecule sensitivity. Despite the early promise, the unique optical properties of QDs have not yet been fully exploited in e. g. multiplex single molecule sensitivity applications such as single particle tracking (SPT. In order to fully optimize single molecule multiplex application with QDs, we have in this work performed a comprehensive quantitative investigation of the fluorescence intensities, fluorescence intensity fluctuations, and hydrodynamic radii of eight types of commercially available water soluble QDs. In this study, we show that the fluorescence intensity of CdSe core QDs increases as the emission of the QDs shifts towards the red but that hybrid CdSe/CdTe core QDs are less bright than the furthest red-shifted CdSe QDs. We further show that there is only a small size advantage in using blue-shifted QDs in biological applications because of the additional size of the water-stabilizing surface coat. Extending previous work, we finally also show that parallel four color multicolor (MC-SPT with QDs is possible at an image acquisition rate of at least 25 Hz. We demonstrate the technique by measuring the lateral dynamics of a lipid, biotin-cap-DPPE, in the cellular plasma membrane of live cells using four different colors of QDs; QD565, QD605, QD655, and QD705 as labels.

  6. Online differentiation of mineral phase in aerosol particles by ion formation mechanism using a LAAP-TOF single-particle mass spectrometer

    Science.gov (United States)

    Marsden, Nicholas A.; Flynn, Michael J.; Allan, James D.; Coe, Hugh

    2018-01-01

    Mineralogy of silicate mineral dust has a strong influence on climate and ecosystems due to variation in physiochemical properties that result from differences in composition and crystal structure (mineral phase). Traditional offline methods of analysing mineral phase are labour intensive and the temporal resolution of the data is much longer than many atmospheric processes. Single-particle mass spectrometry (SPMS) is an established technique for the online size-resolved measurement of particle composition by laser desorption ionisation (LDI) followed by time-of-flight mass spectrometry (TOF-MS). Although non-quantitative, the technique is able to identify the presence of silicate minerals in airborne dust particles from markers of alkali metals and silicate molecular ions in the mass spectra. However, the differentiation of mineral phase in silicate particles by traditional mass spectral peak area measurements is not possible. This is because instrument function and matrix effects in the ionisation process result in variations in instrument response that are greater than the differences in composition between common mineral phases.In this study, we introduce a novel technique that enables the differentiation of mineral phase in silicate mineral particles by ion formation mechanism measured from subtle changes in ion arrival times at the TOF-MS detector. Using a combination of peak area and peak centroid measurements, we show that the arrangement of the interstitial alkali metals in the crystal structure, an important property in silicate mineralogy, influences the ion arrival times of elemental and molecular ion species in the negative ion mass spectra. A classification scheme is presented that allowed for the differentiation of illite-smectite, kaolinite and feldspar minerals on a single-particle basis. Online analysis of mineral dust aerosol generated from clay mineral standards produced mineral fractions that are in agreement with bulk measurements reported by

  7. cisTEM, user-friendly software for single-particle image processing

    Science.gov (United States)

    2018-01-01

    We have developed new open-source software called cisTEM (computational imaging system for transmission electron microscopy) for the processing of data for high-resolution electron cryo-microscopy and single-particle averaging. cisTEM features a graphical user interface that is used to submit jobs, monitor their progress, and display results. It implements a full processing pipeline including movie processing, image defocus determination, automatic particle picking, 2D classification, ab-initio 3D map generation from random parameters, 3D classification, and high-resolution refinement and reconstruction. Some of these steps implement newly-developed algorithms; others were adapted from previously published algorithms. The software is optimized to enable processing of typical datasets (2000 micrographs, 200 k – 300 k particles) on a high-end, CPU-based workstation in half a day or less, comparable to GPU-accelerated processing. Jobs can also be scheduled on large computer clusters using flexible run profiles that can be adapted for most computing environments. cisTEM is available for download from cistem.org. PMID:29513216

  8. cisTEM, user-friendly software for single-particle image processing.

    Science.gov (United States)

    Grant, Timothy; Rohou, Alexis; Grigorieff, Nikolaus

    2018-03-07

    We have developed new open-source software called cis TEM (computational imaging system for transmission electron microscopy) for the processing of data for high-resolution electron cryo-microscopy and single-particle averaging. cis TEM features a graphical user interface that is used to submit jobs, monitor their progress, and display results. It implements a full processing pipeline including movie processing, image defocus determination, automatic particle picking, 2D classification, ab-initio 3D map generation from random parameters, 3D classification, and high-resolution refinement and reconstruction. Some of these steps implement newly-developed algorithms; others were adapted from previously published algorithms. The software is optimized to enable processing of typical datasets (2000 micrographs, 200 k - 300 k particles) on a high-end, CPU-based workstation in half a day or less, comparable to GPU-accelerated processing. Jobs can also be scheduled on large computer clusters using flexible run profiles that can be adapted for most computing environments. cis TEM is available for download from cistem.org. © 2018, Grant et al.

  9. Electronic properties of excited states in single InAs quantum dots

    International Nuclear Information System (INIS)

    Warming, Till

    2009-01-01

    The application of quantum-mechanical effects in semiconductor nanostructures enables the realization of novel opto-electronic devices. Examples are given by single-photon emitters and emitters of entangled photon pairs, both being essential for quantum cryptography, or for qubit systems as needed for quantum computing. InAs/GaAs quantum dots are one of the most promising candidates for such applications. A detailed knowledge of the electronic properties of quantum dots is a prerequisite for this development. The aim of this work is an experimental access to the detailed electronic structure of the excited states in single InAs/GaAs quantum dots including few-particle effects and in particular exchange interaction. The experimental approach is micro photoluminescence excitation spectroscopy (μPLE). One of the main difficulties using μPLE to probe single QDs is the unambiguous assignment of the observed resonances in the spectrum to specific transitions. By comparing micro photoluminescence (μPL) and μPLE spectra, the identification of the main resonances becomes possible. The key is given by the fine structure of the hot trion. Excitation spectroscopy on single charged QDs enables for the first time the complete observation of a non-trivial fine structure of an excitonic complex in a QD, the hot trion. Modelling based on eight-band k.p theory in combination with a configuration interaction scheme is in excellent agreement. Therewith the simulation also enables realistic predictions on the fine structure of the ground-state exciton which is of large importance for single quantum dot devices. Theory concludes from the observed transitions that the structural symmetry of the QDs is broken. Micro photoluminescence excitation spectroscopy combined with resonantly excited micro photoluminescence enables an optical access to the single particle states of the hole without the influence of few-particle coulomb interactions. Based on this knowledge the exciton binding

  10. A Mathematical Model of the Single Aluminium Diboride Particle Ignition

    Directory of Open Access Journals (Sweden)

    D. A. Yagodnikov

    2014-01-01

    Full Text Available The paper presents a developed mathematical model of ignition of the single aluminum diboride particle as an aluminum-boron alloy in the oxidizing environment of a complicated chemical composition containing oxygen, water vapor, and carbon dioxide. The mathematical model is based on the theory of parallel chemical reactions proceeding on the appropriate parts of the particle surface occupied by each element in proportion to their molar share in the alloy. The paper considers a possibility to establish a thermodynamic balance between components over a particle surface in the gas phase. The composition of components is chosen as a result of thermodynamic calculation, namely В g , B2O3 g , BO, B2O2, BO2, Alg , AlO, Al2O, N2. The mathematical model is formed by a system of the differential equations of enthalpy balance, mass of aluminum diboride particle, and of formed oxides, which become isolated by initial and boundary conditions for temperature and size of particles, concentration of an oxidizer, and temperature of gas. The software package “AlB2“ is developed. It is a complete independent module written in Fortran algorithmic language, which together with a package of the subroutines “SPARKS” is used to calculate parameters of burning aluminum diboride particle by the Runge-Kutt method.For stoichiometry of chemical reactions of interaction between aluminum diboride and oxygen, a dynamics of changing temperature of a particle and thickness of an oxide film on its surface is calculated. It was admitted as initial conditions that the aluminum diboride particle radius was 100μ and the reference temperature of environment was 500 K, 1000 K, 2300 K, and 3000 K. Depending on this temperature the aluminum diboride particle temperature was calculated. Changing thickness of the oxide film on the particle surface at various initial gas temperatures characterizes its increase at the initial heating period of ~ 0,01 s and a gradual slowdown of the

  11. State orthogonality, boson bunching parameter and bosonic enhancement factor

    International Nuclear Information System (INIS)

    Marchewka, A.; Granot, E.

    2016-01-01

    Bosons bunching is the tendency of bosons to bunch together with respect to distinguishable particles. It is emphasized that the bunching parameter β = p_B/p_D, i.e. the ratio between the probability to measure 2 bosons and 2 distinguishable particles at the same state, is a constant of motion and depends only on the overlap between the initial wavefunctions. This ratio is equal to β = 2/(1 + l"2), where l is the overlap integral between the initial wavefunctions. That is, only when the initial wavefunctions are orthogonal this ratio is equal to 2, however, this bunching ratio can be reduced to 1, when the two wavefunctions are identical. This simple equation explains the experimental evidences of a beam splitter. A straightforward conclusion is that by measuring the local bunching parameter β (at any point in space and time) it is possible to evaluate a global parameter l (the overlap between the initial wavefunctions). The bunching parameter is then generalized to arbitrary number of particles, and in an analogy to the two-particles scenario, the well-known bosonic enhancement appears only when all states are orthogonal

  12. Decay properties of high-lying single-particles modes

    Energy Technology Data Exchange (ETDEWEB)

    Beaumel, D. [Institut de Physique Nucleaire, 91 - Orsay (France); Fortier, S. [Institut de Physique Nucleaire, 91 - Orsay (France); Gales, S. [Institut de Physique Nucleaire, 91 - Orsay (France); Guillot, J. [Institut de Physique Nucleaire, 91 - Orsay (France); Langevin-Joliot, H. [Institut de Physique Nucleaire, 91 - Orsay (France); Laurent, H. [Institut de Physique Nucleaire, 91 -Orsay (France); Maison, J.M. [Institut de Physique Nucleaire, 91 - Orsay (France); Vernotte, J. [Institut de Physique Nucleaire, 91 - Orsay (France); Bordewijck, J. [Kernfysisch Versneller Instituut, 9747 Groningen (Netherlands); Brandenburg, S. [Kernfysisch Versneller Instituut, 9747 Groningen (Netherlands); Krasznahorkay, A. [Kernfysisch Versneller Instituut, 9747 Groningen (Netherlands); Crawley, G.M. [NSCL, Michigan State University, East Lansing, MI 48824 (United States); Massolo, C.P. [Universitad Nacional de La Plata, 1900 La Plata (Argentina); Renteria, M. [Universitad Nacional de La Plata, 1900 La Plata (Argentina); Khendriche, A. [University of Tizi-Ouzou, Tizi-Ouzou (Algeria)

    1996-03-18

    The neutron decay of high-lying single-particle states in {sup 64}Ni, {sup 90}Zr, {sup 120}Sn and {sup 208}Pb excited by means of the ({alpha},{sup 3}He) reaction has been investigated at 120 MeV incident energy using the multidetector EDEN. The characteristics of this reaction are studied using inclusive spectra and angular correlation analysis. The structure located between 11 and 15 MeV in {sup 91}Zr, and between 8 and 12 MeV excitation energy in {sup 209}Pb display large departures from a pure statistical decay. The corresponding non-statistical branching ratios are compared with the results of two theoretical calculations. (orig.).

  13. Chaos and nonlinear dynamics of single-particle orbits in a magnetotaillike magnetic field

    Science.gov (United States)

    Chen, J.; Palmadesso, P. J.

    1986-01-01

    The properties of charged-particle motion in Hamiltonian dynamics are studied in a magnetotaillike magnetic field configuration. It is shown by numerical integration of the equation of motion that the system is generally nonintegrable and that the particle motion can be classified into three distinct types of orbits: bounded integrable orbits, unbounded stochastic orbits, and unbounded transient orbits. It is also shown that different regions of the phase space exhibit qualitatively different responses to external influences. The concept of 'differential memory' in single-particle distributions is proposed. Physical implications for the dynamical properties of the magnetotail plasmas and the possible generation of non-Maxwellian features in the distribution functions are discussed.

  14. Measurement of ambient aerosols in northern Mexico City by single particle mass spectrometry

    Directory of Open Access Journals (Sweden)

    R. C. Moffet

    2008-08-01

    Full Text Available Continuous ambient measurements with aerosol time-of-flight mass spectrometry (ATOFMS were made in an industrial/residential section in the northern part of Mexico City as part of the Mexico City Metropolitan Area-2006 campaign (MCMA-2006. Results are presented for the period of 15–27 March 2006. The submicron size mode contained both fresh and aged biomass burning, aged organic carbon (OC mixed with nitrate and sulfate, elemental carbon (EC, nitrogen-organic carbon, industrial metal, and inorganic NaK inorganic particles. Overall, biomass burning and aged OC particle types comprised 40% and 31%, respectively, of the submicron mode. In contrast, the supermicron mode was dominated by inorganic NaK particle types (42% which represented a mixture of dry lake bed dust and industrial NaK emissions mixed with soot. Additionally, aluminosilicate dust, transition metals, OC, and biomass burning contributed to the supermicron particles. Early morning periods (2–6 a.m. showed high fractions of inorganic particles from industrial sources in the northeast, composed of internal mixtures of Pb, Zn, EC and Cl, representing up to 73% of the particles in the 0.2–3μm size range. A unique nitrogen-containing organic carbon (NOC particle type, peaking in the early morning hours, was hypothesized to be amines from local industrial emissions based on the time series profile and back trajectory analysis. A strong dependence on wind speed and direction was observed in the single particle types that were present during different times of the day. The early morning (3:30–10 a.m. showed the greatest contributions from industrial emissions. During mid to late mornings (7–11 a.m., weak northerly winds were observed along with the most highly aged particles. Stronger winds from the south picked up in the late morning (after 11 a.m., resulting in a decrease in the concentrations of the major aged particle types and an increase in the number fraction of fresh

  15. A single particle energies

    Energy Technology Data Exchange (ETDEWEB)

    Bodmer, A.R. [Illinois Univ., Chicago, IL (United States). Dept. of Physics]|[Argonne National Lab., IL (United States); Usmani, Q.N.; Sami, M. [Jamia Millia Islamia, New Delhi (India). Dept. of Physics

    1993-09-01

    We consider the binding energies of {Lambda} hypernuclei (HN), in particular the single-particle (s.p.) energy data, which have been obtained for a wide range of HN with mass numbers A {le} 89 and for orbital angular momenta {ell}{sub {Lambda}} {le} 4. We briefly review some of the relevant properties of A hypernuclei. These are nuclei {sub {Lambda}}{sup A}Z with baryon number A in which a single {Lambda} hyperon (baryon number = 1) is bound to an ordinary nucleus {sup A}Z consisting of A - 1 nucleons = Z protons + N neutrons. The {Lambda} hyperon is neutral, has spin 1/2, strangeness S = {minus}1, isospin I = O and a mass M{sub {Lambda}} = 1116 MeV/c{sup 2}. Although the {Lambda} interacts with a nucleon, its interaction is only about half as strong as that between two nucleons, and thus very roughly V{sub {Lambda}N} {approx} 0.5 V{sub NN}. As a result, the two-body {Lambda}N system is unbound, and the lightest bound HN is the three-body hypertriton {sub {Lambda}}{sup 3}H in which the {Lambda} is bound to a deuteron with the {Lambda}-d separation energy being only {approx} 0.1 MeV corresponding to an exponential tail of radius {approx} 15 fm! In strong interactions the strangeness S is of course conserved, and the {Lambda} is distinct from the nucleons. In a HN strangeness changes only in the weak decays of the {Lambda} which can decay either via ``free`` pionic decay {Lambda} {yields} N + {pi} or via induced decay {Lambda} + N {yields} N + N which is only possible in the presence of nucleons. Because of the small energy release the pionic decay is strongly suppressed in all but the lightest HN and the induced decay dominates. However, the weak decay lifetime {approx} 10{sup {minus}10}s is in fact close to the lifetime of a free {Lambda}. Since this is much longer than the strong interaction time {approx} 10{sup {minus}22}s we can ignore the weak interactions when considering the binding of HN, just as for ordinary nuclei.

  16. NA49 Results on Single Particle and Correlation Measurements in Central PB+PB Collisions

    CERN Document Server

    Wang, Fuqiang; Bachler, J.; Bailey, S.J.; Barna, D.; Barnby, L.S.; Bartke, J.; Barton, R.A.; Bialkowska, H.; Billmeier, A.; Blyth, C.O.; Bock, R.; Boimska, B.; Bormann, C.; Brady, F.P.; Brockmann, R.; Brun, R.; Buncic, P.; Caines, H.L.; Carr, L.D.; Cebra, D.A.; Cooper, G.E.; Cramer, J.G.; Cristinziani, M.; Csato, P.; Dunn, J.; Eckardt, V.; Eckhardt, F.; Ferguson, M.I.; Fischer, H.G.; Flierl, D.; Fodor, Z.; Foka, P.; Freund, P.; Friese, V.; Fuchs, M.; Gabler, F.; Gal, J.; Ganz, R.; Gazdzicki, M.; Gladysz, E.; Grebieszkow, J.; Gunther, J.; Harris, J.W.; Hegyi, S.; Henkel, T.; Hill, L.A.; Hummler, H.; Igo, G.; Irmscher, D.; Jacobs, P.; Jones, P.G.; Kadija, K.; Kolesnikov, V.I.; Kowalski, M.; Lasiuk, B.; Levai, P.; Malakhov, A.I.; Margetis, S.; Markert, C.; Melkumov, G.L.; Mock, A.; Molnar, J.; Nelson, John M.; Oldenburg, M.; Odyniec, G.; Palla, G.; Panagiotou, A.D.; Petridis, A.; Piper, A.; Porter, R.J.; Poskanzer, Arthur M.; Prindle, D.J.; Puhlhofer, F.; Rauch, W.; Reid, J.G.; Renfordt, R.; Retyk, W.; Ritter, H.G.; Rohrich, D.; Roland, C.; Roland, G.; Rudolph, H.; Rybicki, A.; Sandoval, A.; Sann, H.; Semenov, A.Yu.; Schafer, E.; Schmischke, D.; Schmitz, N.; Schonfelder, S.; Seyboth, P.; Seyerlein, J.; Sikler, F.; Skrzypczak, E.; Snellings, R.; Squier, G.T.A.; Stock, R.; Strobele, H.; Struck, C.; Szentpetery, I.; Sziklai, J.; Toy, M.; Trainor, T.A.; Trentalange, S.; Ullrich, T.; Vassiliou, M.; Veres, G.; Vesztergombi, G.; Voloshin, S.; Vranic, D.; Weerasundara, D.D.; Wenig, S.; Whitten, C.; Wienold, T.; Wood, L.; Xu, N.; Yates, T.A.; Zimanyi, J.; Zhu, X.Z.; Zybert, R.; Wang, Fuqiang

    2000-01-01

    Single-particle spectra and two-particle correlation functions measured by the NA49 collaboration in central Pb+Pb collisions at 158 GeV/nucleon are presented. These measurements are used to study the kinetic and chemical freeze-out conditions in heavy ion collisions. We conclude that large baryon stopping, high baryon density and strong transverse radial flow are achieved in central Pb+Pb collisions at the SPS.

  17. To the evaluation of single-particle strengths of states

    International Nuclear Information System (INIS)

    Ochirbat, G.

    1976-01-01

    Method of Green's function has been applied to calculating the distribution of single-particle states over actual nuclear levels. Chain of equations for these functions has been obtained in a model of interacting phonons and quasiparticles. It has been noticed that cutting the chain of equations by means of neglecting the higher order Green function corresponds to neglecting the higher order components of the wave function in variational methods. The one- and two-phonon approximations are discussed and the convenience of the Green function method for this case is demonstrated

  18. Transitions in eigenvalue and wavefunction structure in (1+2) -body random matrix ensembles with spin.

    Science.gov (United States)

    Vyas, Manan; Kota, V K B; Chavda, N D

    2010-03-01

    Finite interacting Fermi systems with a mean-field and a chaos generating two-body interaction are modeled by one plus two-body embedded Gaussian orthogonal ensemble of random matrices with spin degree of freedom [called EGOE(1+2)-s]. Numerical calculations are used to demonstrate that, as lambda , the strength of the interaction (measured in the units of the average spacing of the single-particle levels defining the mean-field), increases, generically there is Poisson to GOE transition in level fluctuations, Breit-Wigner to Gaussian transition in strength functions (also called local density of states) and also a duality region where information entropy will be the same in both the mean-field and interaction defined basis. Spin dependence of the transition points lambda_{c} , lambdaF, and lambdad , respectively, is described using the propagator for the spectral variances and the formula for the propagator is derived. We further establish that the duality region corresponds to a region of thermalization. For this purpose we compared the single-particle entropy defined by the occupancies of the single-particle orbitals with thermodynamic entropy and information entropy for various lambda values and they are very close to each other at lambda=lambdad.

  19. Efficiencies of dynamic Monte Carlo algorithms for off-lattice particle systems with a single impurity

    KAUST Repository

    Novotny, M.A.

    2010-02-01

    The efficiency of dynamic Monte Carlo algorithms for off-lattice systems composed of particles is studied for the case of a single impurity particle. The theoretical efficiencies of the rejection-free method and of the Monte Carlo with Absorbing Markov Chains method are given. Simulation results are presented to confirm the theoretical efficiencies. © 2010.

  20. Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches

    International Nuclear Information System (INIS)

    Burns, Lori A.; Marshall, Michael S.; Sherrill, C. David

    2014-01-01

    A systematic examination of noncovalent interactions as modeled by wavefunction theory is presented in comparison to gold-standard quality benchmarks available for 345 interaction energies of 49 bimolecular complexes. Quantum chemical techniques examined include spin-component-scaling (SCS) variations on second-order perturbation theory (MP2) [SCS, SCS(N), SCS(MI)] and coupled cluster singles and doubles (CCSD) [SCS, SCS(MI)]; also, method combinations designed to improve dispersion contacts [DW-MP2, MP2C, MP2.5, DW-CCSD(T)-F12]; where available, explicitly correlated (F12) counterparts are also considered. Dunning basis sets augmented by diffuse functions are employed for all accessible ζ-levels; truncations of the diffuse space are also considered. After examination of both accuracy and performance for 394 model chemistries, SCS(MI)-MP2/cc-pVQZ can be recommended for general use, having good accuracy at low cost and no ill-effects such as imbalance between hydrogen-bonding and dispersion-dominated systems or non-parallelity across dissociation curves. Moreover, when benchmarking accuracy is desirable but gold-standard computations are unaffordable, this work recommends silver-standard [DW-CCSD(T**)-F12/aug-cc-pVDZ] and bronze-standard [MP2C-F12/aug-cc-pVDZ] model chemistries, which support accuracies of 0.05 and 0.16 kcal/mol and efficiencies of 97.3 and 5.5 h for adenine·thymine, respectively. Choice comparisons of wavefunction results with the best symmetry-adapted perturbation theory [T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014)] and density functional theory [L. A. Burns, Á. Vázquez-Mayagoitia, B. G. Sumpter, and C. D. Sherrill, J. Chem. Phys. 134, 084107 (2011)] methods previously studied for these databases are provided for readers' guidance

  1. Toward single-mode random lasing within a submicrometre-sized spherical ZnO particle film

    International Nuclear Information System (INIS)

    Niyuki, Ryo; Fujiwara, Hideki; Sasaki, Keiji; Ishikawa, Yoshie; Koshizaki, Naoto; Tsuji, Takeshi

    2016-01-01

    We had recently reported unique random laser action such as quasi-single-mode and low-threshold lasing from a submicrometre-sized spherical ZnO nanoparticle film with polymer particles as defects. The present study demonstrates a novel approach to realize single-mode random lasing by adjusting the sizes of the defect particles. From the dependence of random lasing properties on defect size, we find that the average number of lasing peaks can be modified by the defect size, while other lasing properties such as lasing wavelengths and thresholds remain unchanged. These results suggest that lasing wavelengths and thresholds are determined by the resonant properties of the surrounding scatterers, while the defect size stochastically determines the number of lasing peaks. Therefore, if we optimize the sizes of the defects and scatterers, we can intentionally induce single-mode lasing even in a random structure (Fujiwara et al 2013 Appl. Phys. Lett. 102 061110). (paper)

  2. State orthogonality, boson bunching parameter and bosonic enhancement factor

    Science.gov (United States)

    Marchewka, Avi; Granot, Er'el

    2016-04-01

    It is emphasized that the bunching parameter β ≡ p B / p D , i.e. the ratio between the probability to measure two bosons and two distinguishable particles at the same state, is a constant of motion and depends only on the overlap between the initial wavefunctions. This ratio is equal to β = 2 / (1 + I 2), where I is the overlap integral between the initial wavefunctions. That is, only when the initial wavefunctions are orthogonal this ratio is equal to 2, however, this bunching ratio can be reduced to 1, when the two wavefunctions are identical. This simple equation explains the experimental evidences of a beam splitter. A straightforward conclusion is that by measuring the local bunching parameter β (at any point in space and time) it is possible to evaluate a global parameter I (the overlap between the initial wavefunctions). The bunching parameter is then generalized to arbitrary number of particles, and in an analogy to the two-particles scenario, the well-known bosonic enhancement appears only when all states are orthogonal.

  3. First-Principles Momentum-Dependent Local Ansatz Wavefunction and Momentum Distribution Function Bands of Iron

    Science.gov (United States)

    Kakehashi, Yoshiro; Chandra, Sumal

    2016-04-01

    We have developed a first-principles local ansatz wavefunction approach with momentum-dependent variational parameters on the basis of the tight-binding LDA+U Hamiltonian. The theory goes beyond the first-principles Gutzwiller approach and quantitatively describes correlated electron systems. Using the theory, we find that the momentum distribution function (MDF) bands of paramagnetic bcc Fe along high-symmetry lines show a large deviation from the Fermi-Dirac function for the d electrons with eg symmetry and yield the momentum-dependent mass enhancement factors. The calculated average mass enhancement m*/m = 1.65 is consistent with low-temperature specific heat data as well as recent angle-resolved photoemission spectroscopy (ARPES) data.

  4. Single-particle cryo-electron microscopy of Rift Valley fever virus

    OpenAIRE

    Sherman, Michael B.; Freiberg, Alexander N.; Holbrook, Michael R.; Watowich, Stanley J.

    2009-01-01

    Rift Valley fever virus (RVFV; Bunyaviridae; Phlebovirus) is an emerging human veterinary pathogen causing acute hepatitis in ruminants and has the potential to Single-particle cryo-EM reconstruction of RVFV MP-12 hemorrhagic fever in humans. We report a three-dimensional reconstruction of RVFV vaccine strain MP-12 (RVFV MP-12) by cryo-electron microcopy using icosahedral symmetry of individual virions. Although the genomic core of RVFV MP-12 is apparently poorly ordered, the glycoproteins on...

  5. On the electron vortex beam wavefunction within a crystal.

    Science.gov (United States)

    Mendis, B G

    2015-10-01

    Electron vortex beams are distorted by scattering within a crystal, so that the wavefunction can effectively be decomposed into many vortex components. Using a Bloch wave approach equations are derived for vortex beam decomposition at any given depth and with respect to any frame of reference. In the kinematic limit (small specimen thickness) scattering largely takes place at the neighbouring atom columns with a local phase change of π/2rad. When viewed along the beam propagation direction only one vortex component is present at the specimen entrance surface (i.e. the 'free space' vortex in vacuum), but at larger depths the probe is in a mixed state due to Bragg scattering. Simulations show that there is no direct correlation between vortex components and the 〈Lz〉 pendellösung, i.e. at a given depth probes with relatively constant 〈Lz〉 can be in a more mixed state compared to those with more rapidly varying 〈Lz〉. This suggests that minimising oscillations in the 〈Lz〉 pendellösung by probe channelling is not the only criterion for generating a strong electron energy loss magnetic circular dichroism (EMCD) signal. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Phase-coexistence simulations of fluid mixtures by the Markov Chain Monte Carlo method using single-particle models

    KAUST Repository

    Li, Jun; Calo, Victor M.

    2013-01-01

    models although its deviation in the liquid phase is greater. Since the single-particle model reduces the particle number and avoids the time-consuming Ewald summation used to evaluate Coulomb interactions, the proposed model improves the computational

  7. Online differentiation of mineral phase in aerosol particles by ion formation mechanism using a LAAP-TOF single-particle mass spectrometer

    Directory of Open Access Journals (Sweden)

    N. A. Marsden

    2018-01-01

    Full Text Available Mineralogy of silicate mineral dust has a strong influence on climate and ecosystems due to variation in physiochemical properties that result from differences in composition and crystal structure (mineral phase. Traditional offline methods of analysing mineral phase are labour intensive and the temporal resolution of the data is much longer than many atmospheric processes. Single-particle mass spectrometry (SPMS is an established technique for the online size-resolved measurement of particle composition by laser desorption ionisation (LDI followed by time-of-flight mass spectrometry (TOF-MS. Although non-quantitative, the technique is able to identify the presence of silicate minerals in airborne dust particles from markers of alkali metals and silicate molecular ions in the mass spectra. However, the differentiation of mineral phase in silicate particles by traditional mass spectral peak area measurements is not possible. This is because instrument function and matrix effects in the ionisation process result in variations in instrument response that are greater than the differences in composition between common mineral phases.In this study, we introduce a novel technique that enables the differentiation of mineral phase in silicate mineral particles by ion formation mechanism measured from subtle changes in ion arrival times at the TOF-MS detector. Using a combination of peak area and peak centroid measurements, we show that the arrangement of the interstitial alkali metals in the crystal structure, an important property in silicate mineralogy, influences the ion arrival times of elemental and molecular ion species in the negative ion mass spectra. A classification scheme is presented that allowed for the differentiation of illite–smectite, kaolinite and feldspar minerals on a single-particle basis. Online analysis of mineral dust aerosol generated from clay mineral standards produced mineral fractions that are in agreement with bulk

  8. Single-particle coherent diffractive imaging with a soft x-ray free electron laser: towards soot aerosol morphology

    Science.gov (United States)

    Bogan, Michael J.; Starodub, Dmitri; Hampton, Christina Y.; Sierra, Raymond G.

    2010-10-01

    The first of its kind, the Free electron LASer facility in Hamburg, FLASH, produces soft x-ray pulses with unprecedented properties (10 fs, 6.8-47 nm, 1012 photons per pulse, 20 µm diameter). One of the seminal FLASH experiments is single-pulse coherent x-ray diffractive imaging (CXDI). CXDI utilizes the ultrafast and ultrabright pulses to overcome resolution limitations in x-ray microscopy imposed by x-ray-induced damage to the sample by 'diffracting before destroying' the sample on sub-picosecond timescales. For many lensless imaging algorithms used for CXDI it is convenient when the data satisfy an oversampling constraint that requires the sample to be an isolated object, i.e. an individual 'free-standing' portion of disordered matter delivered to the centre of the x-ray focus. By definition, this type of matter is an aerosol. This paper will describe the role of aerosol science methodologies used for the validation of the 'diffract before destroy' hypothesis and the execution of the first single-particle CXDI experiments being developed for biological imaging. FLASH CXDI now enables the highest resolution imaging of single micron-sized or smaller airborne particulate matter to date while preserving the native substrate-free state of the aerosol. Electron microscopy offers higher resolution for single-particle analysis but the aerosol must be captured on a substrate, potentially modifying the particle morphology. Thus, FLASH is poised to contribute significant advancements in our knowledge of aerosol morphology and dynamics. As an example, we simulate CXDI of combustion particle (soot) morphology and introduce the concept of extracting radius of gyration of fractal aggregates from single-pulse x-ray diffraction data. Future upgrades to FLASH will enable higher spatially and temporally resolved single-particle aerosol dynamics studies, filling a critical technological need in aerosol science and nanotechnology. Many of the methodologies described for FLASH will

  9. Single-particle coherent diffractive imaging with a soft x-ray free electron laser: towards soot aerosol morphology

    International Nuclear Information System (INIS)

    Bogan, Michael J; Starodub, Dmitri; Hampton, Christina Y; Sierra, Raymond G

    2010-01-01

    The first of its kind, the Free electron LASer facility in Hamburg, FLASH, produces soft x-ray pulses with unprecedented properties (10 fs, 6.8-47 nm, 10 12 photons per pulse, 20 μm diameter). One of the seminal FLASH experiments is single-pulse coherent x-ray diffractive imaging (CXDI). CXDI utilizes the ultrafast and ultrabright pulses to overcome resolution limitations in x-ray microscopy imposed by x-ray-induced damage to the sample by 'diffracting before destroying' the sample on sub-picosecond timescales. For many lensless imaging algorithms used for CXDI it is convenient when the data satisfy an oversampling constraint that requires the sample to be an isolated object, i.e. an individual 'free-standing' portion of disordered matter delivered to the centre of the x-ray focus. By definition, this type of matter is an aerosol. This paper will describe the role of aerosol science methodologies used for the validation of the 'diffract before destroy' hypothesis and the execution of the first single-particle CXDI experiments being developed for biological imaging. FLASH CXDI now enables the highest resolution imaging of single micron-sized or smaller airborne particulate matter to date while preserving the native substrate-free state of the aerosol. Electron microscopy offers higher resolution for single-particle analysis but the aerosol must be captured on a substrate, potentially modifying the particle morphology. Thus, FLASH is poised to contribute significant advancements in our knowledge of aerosol morphology and dynamics. As an example, we simulate CXDI of combustion particle (soot) morphology and introduce the concept of extracting radius of gyration of fractal aggregates from single-pulse x-ray diffraction data. Future upgrades to FLASH will enable higher spatially and temporally resolved single-particle aerosol dynamics studies, filling a critical technological need in aerosol science and nanotechnology. Many of the methodologies described for FLASH will

  10. Effective particle magnetic moment of multi-core particles

    Energy Technology Data Exchange (ETDEWEB)

    Ahrentorp, Fredrik; Astalan, Andrea; Blomgren, Jakob; Jonasson, Christian [Acreo Swedish ICT AB, Arvid Hedvalls backe 4, SE-411 33 Göteborg (Sweden); Wetterskog, Erik; Svedlindh, Peter [Department of Engineering Sciences, Uppsala University, Box 534, SE-751 21 Uppsala (Sweden); Lak, Aidin; Ludwig, Frank [Institute of Electrical Measurement and Fundamental Electrical Engineering, TU Braunschweig, D‐38106 Braunschweig Germany (Germany); IJzendoorn, Leo J. van [Department of Applied Physics, Eindhoven University of Technology, 5600 MB Eindhoven (Netherlands); Westphal, Fritz; Grüttner, Cordula [Micromod Partikeltechnologie GmbH, D ‐18119 Rostock (Germany); Gehrke, Nicole [nanoPET Pharma GmbH, D ‐10115 Berlin Germany (Germany); Gustafsson, Stefan; Olsson, Eva [Department of Applied Physics, Chalmers University of Technology, SE-412 96 Göteborg (Sweden); Johansson, Christer, E-mail: christer.johansson@acreo.se [Acreo Swedish ICT AB, Arvid Hedvalls backe 4, SE-411 33 Göteborg (Sweden)

    2015-04-15

    In this study we investigate the magnetic behavior of magnetic multi-core particles and the differences in the magnetic properties of multi-core and single-core nanoparticles and correlate the results with the nanostructure of the different particles as determined from transmission electron microscopy (TEM). We also investigate how the effective particle magnetic moment is coupled to the individual moments of the single-domain nanocrystals by using different measurement techniques: DC magnetometry, AC susceptometry, dynamic light scattering and TEM. We have studied two magnetic multi-core particle systems – BNF Starch from Micromod with a median particle diameter of 100 nm and FeraSpin R from nanoPET with a median particle diameter of 70 nm – and one single-core particle system – SHP25 from Ocean NanoTech with a median particle core diameter of 25 nm.

  11. Effective particle magnetic moment of multi-core particles

    International Nuclear Information System (INIS)

    Ahrentorp, Fredrik; Astalan, Andrea; Blomgren, Jakob; Jonasson, Christian; Wetterskog, Erik; Svedlindh, Peter; Lak, Aidin; Ludwig, Frank; IJzendoorn, Leo J. van; Westphal, Fritz; Grüttner, Cordula; Gehrke, Nicole; Gustafsson, Stefan; Olsson, Eva; Johansson, Christer

    2015-01-01

    In this study we investigate the magnetic behavior of magnetic multi-core particles and the differences in the magnetic properties of multi-core and single-core nanoparticles and correlate the results with the nanostructure of the different particles as determined from transmission electron microscopy (TEM). We also investigate how the effective particle magnetic moment is coupled to the individual moments of the single-domain nanocrystals by using different measurement techniques: DC magnetometry, AC susceptometry, dynamic light scattering and TEM. We have studied two magnetic multi-core particle systems – BNF Starch from Micromod with a median particle diameter of 100 nm and FeraSpin R from nanoPET with a median particle diameter of 70 nm – and one single-core particle system – SHP25 from Ocean NanoTech with a median particle core diameter of 25 nm

  12. Effective particle magnetic moment of multi-core particles

    Science.gov (United States)

    Ahrentorp, Fredrik; Astalan, Andrea; Blomgren, Jakob; Jonasson, Christian; Wetterskog, Erik; Svedlindh, Peter; Lak, Aidin; Ludwig, Frank; van IJzendoorn, Leo J.; Westphal, Fritz; Grüttner, Cordula; Gehrke, Nicole; Gustafsson, Stefan; Olsson, Eva; Johansson, Christer

    2015-04-01

    In this study we investigate the magnetic behavior of magnetic multi-core particles and the differences in the magnetic properties of multi-core and single-core nanoparticles and correlate the results with the nanostructure of the different particles as determined from transmission electron microscopy (TEM). We also investigate how the effective particle magnetic moment is coupled to the individual moments of the single-domain nanocrystals by using different measurement techniques: DC magnetometry, AC susceptometry, dynamic light scattering and TEM. We have studied two magnetic multi-core particle systems - BNF Starch from Micromod with a median particle diameter of 100 nm and FeraSpin R from nanoPET with a median particle diameter of 70 nm - and one single-core particle system - SHP25 from Ocean NanoTech with a median particle core diameter of 25 nm.

  13. Detection of lead nanoparticles in game meat by single particle ICP-MS following use of lead-containing bullets.

    Science.gov (United States)

    Kollander, Barbro; Widemo, Fredrik; Ågren, Erik; Larsen, Erik H; Loeschner, Katrin

    2017-03-01

    This study investigated whether game meat may contain nanoparticles of lead from ammunition. Lead nanoparticles in the range 40 to 750 nm were detected by ICP-MS in single particle mode in game shot with lead-containing bullets. The median diameter of the detected nanoparticles was around 60 nm. The particle mass concentration ranged from 290 to 340 ng/g meat and the particle number concentrations from 27 to 50 million particles/g meat. The size limit of detection strongly depended on the level of dissolved lead and was in the range of 40 to 80 nm. In game meat sampled more than 10 cm away from the wound channel, no lead particles with a diameter larger than 40 nm were detected. In addition to dissolved lead in meat that originated from particulates, the presence of lead nano particles in game meat represents a hitherto unattended source of lead with a largely unknown toxicological impact to humans. Graphical Abstract Detection of lead nanoparticles in game meat by single particle ICP-MS following use of leadcontaining bullets.

  14. Comparison of electron transmittances and tunneling currents in an anisotropic TiNx/HfO2/SiO2/p-Si(100) metal-oxide-semiconductor (MOS) capacitor calculated using exponential- and Airy-wavefunction approaches and a transfer matrix method

    International Nuclear Information System (INIS)

    Noor, Fatimah A.; Abdullah, Mikrajuddin; Sukirno; Khairurrijal

    2010-01-01

    Analytical expressions of electron transmittance and tunneling current in an anisotropic TiN x /HfO 2 /SiO 2 /p-Si(100) metal-oxide-semiconductor (MOS) capacitor were derived by considering the coupling of transverse and longitudinal energies of an electron. Exponential and Airy wavefunctions were utilized to obtain the electron transmittance and the electron tunneling current. A transfer matrix method, as a numerical approach, was used as a benchmark to assess the analytical approaches. It was found that there is a similarity in the transmittances calculated among exponential- and Airy-wavefunction approaches and the TMM at low electron energies. However, for high energies, only the transmittance calculated by using the Airy-wavefunction approach is the same as that evaluated by the TMM. It was also found that only the tunneling currents calculated by using the Airy-wavefunction approach are the same as those obtained under the TMM for all range of oxide voltages. Therefore, a better analytical description for the tunneling phenomenon in the MOS capacitor is given by the Airy-wavefunction approach. Moreover, the tunneling current density decreases as the titanium concentration of the TiN x metal gate increases because the electron effective mass of TiN x decreases with increasing nitrogen concentration. In addition, the mass anisotropy cannot be neglected because the tunneling currents obtained under the isotropic and anisotropic masses are very different. (semiconductor devices)

  15. Self-consistent neutral point current and fields from single particle dynamics

    International Nuclear Information System (INIS)

    Martin, R.F. Jr.

    1988-01-01

    In order to begin to build a global model of the magnetotail-auroral region interaction, it is of interest to understand the role of neutral points as potential centers of particle energization in the tail. In this paper, the single particle current is calculated near a magnetic neutral point with magnetotail properties. This is balanced with the Ampere's law current producing the magnetic field to obtain the self-consistent electric field for the problem. Also calculated is the current-electric field relationship and, in the regime where this relation is linear, an effective conductivity. Results for these macroscopic quantities are surprisingly similar to the values calculated for a constant normal field current sheet geometry. Application to magnetotail modeling is discussed. 11 references

  16. Chemical characterization of freshly emitted particulate matter from aircraft exhaust using single particle mass spectrometry

    Science.gov (United States)

    Abegglen, Manuel; Brem, B. T.; Ellenrieder, M.; Durdina, L.; Rindlisbacher, T.; Wang, J.; Lohmann, U.; Sierau, B.

    2016-06-01

    Non-volatile aircraft engine emissions are an important anthropogenic source of soot particles in the upper troposphere and in the vicinity of airports. They influence climate and contribute to global warming. In addition, they impact air quality and thus human health and the environment. The chemical composition of non-volatile particulate matter emission from aircraft engines was investigated using single particle time-of-flight mass spectrometry. The exhaust from three different aircraft engines was sampled and analyzed. The soot particulate matter was sampled directly behind the turbine in a test cell at Zurich Airport. Single particle analyses will focus on metallic compounds. The particles analyzed herein represent a subset of the emissions composed of the largest particles with a mobility diameter >100 nm due to instrumental restrictions. A vast majority of the analyzed particles was shown to contain elemental carbon, and depending on the engine and the applied thrust the elemental carbon to total carbon ratio ranged from 83% to 99%. The detected metallic compounds were all internally mixed with the soot particles. The most abundant metals in the exhaust were Cr, Fe, Mo, Na, Ca and Al; V, Ba, Co, Cu, Ni, Pb, Mg, Mn, Si, Ti and Zr were also detected. We further investigated potential sources of the ATOFMS-detected metallic compounds using Inductively Coupled Plasma Mass Spectrometry. The potential sources considered were kerosene, engine lubrication oil and abrasion from engine wearing components. An unambiguous source apportionment was not possible because most metallic compounds were detected in several of the analyzed sources.

  17. Second-order Monte Carlo wave-function approach to the relaxation effects on ringing revivals in a molecular system interacting with a strongly squeezed coherent field

    International Nuclear Information System (INIS)

    Nakano, Masayoshi; Kishi, Ryohei; Nitta, Tomoshige; Yamaguchi, Kizashi

    2004-01-01

    We investigate the relaxation effects on the quantum dynamics in a two-state molecular system interacting with a single-mode strongly amplitude-squeezed coherent field using the second-order Monte Carlo wave-function method. The molecular population inversion (collapse-revival behavior of Rabi oscillations) is known to show the echoes after each revival, which are referred to as ringing revivals, in the case of strongly squeezed coherent fields with oscillatory photon-number distributions due to the phase-space interference effect. Two types of relaxation effects, i.e., cavity relaxation (the dissipation of an internal single mode to outer mode) and molecular coherent (phase) relaxation caused by nuclear vibrations on ringing revivals are investigated from the viewpoint of the quantum-phase dynamics using the quasiprobability (Q function) distribution of a single-mode field and the off-diagonal molecular density matrix ρ elec1,2 (t). It turns out that the molecular phase relaxation attenuates both the entire revival-collapse behavior and the increase in ρ elec1,2 (t) during the quiescent region, whereas a very slight cavity relaxation particularly suppresses the echoes in ringing revivals more significantly than the first revival but hardly changes a primary variation in envelope of ρ elec1,2 (t) in the nonrelaxation case

  18. Simultaneous diamagnetic and magnetic particle trapping in ferrofluid microflows via a single permanent magnet.

    Science.gov (United States)

    Zhou, Yilong; Kumar, Dhileep Thanjavur; Lu, Xinyu; Kale, Akshay; DuBose, John; Song, Yongxin; Wang, Junsheng; Li, Dongqing; Xuan, Xiangchun

    2015-07-01

    Trapping and preconcentrating particles and cells for enhanced detection and analysis are often essential in many chemical and biological applications. Existing methods for diamagnetic particle trapping require the placement of one or multiple pairs of magnets nearby the particle flowing channel. The strong attractive or repulsive force between the magnets makes it difficult to align and place them close enough to the channel, which not only complicates the device fabrication but also restricts the particle trapping performance. This work demonstrates for the first time the use of a single permanent magnet to simultaneously trap diamagnetic and magnetic particles in ferrofluid flows through a T-shaped microchannel. The two types of particles are preconcentrated to distinct locations of the T-junction due to the induced negative and positive magnetophoretic motions, respectively. Moreover, they can be sequentially released from their respective trapping spots by simply increasing the ferrofluid flow rate. In addition, a three-dimensional numerical model is developed, which predicts with a reasonable agreement the trajectories of diamagnetic and magnetic particles as well as the buildup of ferrofluid nanoparticles.

  19. Simultaneous diamagnetic and magnetic particle trapping in ferrofluid microflows via a single permanent magnet

    Science.gov (United States)

    Zhou, Yilong; Kumar, Dhileep Thanjavur; Lu, Xinyu; Kale, Akshay; DuBose, John; Song, Yongxin; Wang, Junsheng; Li, Dongqing; Xuan, Xiangchun

    2015-01-01

    Trapping and preconcentrating particles and cells for enhanced detection and analysis are often essential in many chemical and biological applications. Existing methods for diamagnetic particle trapping require the placement of one or multiple pairs of magnets nearby the particle flowing channel. The strong attractive or repulsive force between the magnets makes it difficult to align and place them close enough to the channel, which not only complicates the device fabrication but also restricts the particle trapping performance. This work demonstrates for the first time the use of a single permanent magnet to simultaneously trap diamagnetic and magnetic particles in ferrofluid flows through a T-shaped microchannel. The two types of particles are preconcentrated to distinct locations of the T-junction due to the induced negative and positive magnetophoretic motions, respectively. Moreover, they can be sequentially released from their respective trapping spots by simply increasing the ferrofluid flow rate. In addition, a three-dimensional numerical model is developed, which predicts with a reasonable agreement the trajectories of diamagnetic and magnetic particles as well as the buildup of ferrofluid nanoparticles. PMID:26221197

  20. Spin resonance strength calculation through single particle tracking for RHIC

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Dutheil, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Huang, H. [Brookhaven National Lab. (BNL), Upton, NY (United States); Meot, F. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ranjbar, V. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2015-05-03

    The strengths of spin resonances for the polarized-proton operation in the Relativistic Heavy Ion Collider are currently calculated with the code DEPOL, which numerically integrates through the ring based on an analytical approximate formula. In this article, we test a new way to calculate the spin resonance strengths by performing Fourier transformation to the actual transverse magnetic fields seen by a single particle traveling through the ring. Comparison of calculated spin resonance strengths is made between this method and DEPOL.

  1. Pre-asymptotic behavior of single-particle overlap integrals of non-Borromean two-neutron halos

    International Nuclear Information System (INIS)

    Timofeyuk, N.K.; Tostevin, J.A.; Blokhintsev, L.D.

    2003-01-01

    For non-Borromean two-neutron halo nuclei, modifications to the behavior of single-particle overlap integrals will arise due to the correlations of the two interacting nucleons in the halo. An additional contribution to the overlap integral can be obtained using the Feynman diagram approach. This additional term is modeled using a simple local potential model. We show that these modifications may play a role in detailed interpretations of experimental results from single-nucleon knockout, transfer, and other reactions that probe the single-nucleon overlap functions

  2. Quantitative single-particle digital autoradiography with α-particle emitters for targeted radionuclide therapy using the iQID camera.

    Science.gov (United States)

    Miller, Brian W; Frost, Sofia H L; Frayo, Shani L; Kenoyer, Aimee L; Santos, Erlinda; Jones, Jon C; Green, Damian J; Hamlin, Donald K; Wilbur, D Scott; Fisher, Darrell R; Orozco, Johnnie J; Press, Oliver W; Pagel, John M; Sandmaier, Brenda M

    2015-07-01

    Alpha-emitting radionuclides exhibit a potential advantage for cancer treatments because they release large amounts of ionizing energy over a few cell diameters (50-80 μm), causing localized, irreparable double-strand DNA breaks that lead to cell death. Radioimmunotherapy (RIT) approaches using monoclonal antibodies labeled with α emitters may thus inactivate targeted cells with minimal radiation damage to surrounding tissues. Tools are needed to visualize and quantify the radioactivity distribution and absorbed doses to targeted and nontargeted cells for accurate dosimetry of all treatment regimens utilizing α particles, including RIT and others (e.g., Ra-223), especially for organs and tumors with heterogeneous radionuclide distributions. The aim of this study was to evaluate and characterize a novel single-particle digital autoradiography imager, the ionizing-radiation quantum imaging detector (iQID) camera, for use in α-RIT experiments. The iQID camera is a scintillator-based radiation detection system that images and identifies charged-particle and gamma-ray/x-ray emissions spatially and temporally on an event-by-event basis. It employs CCD-CMOS cameras and high-performance computing hardware for real-time imaging and activity quantification of tissue sections, approaching cellular resolutions. In this work, the authors evaluated its characteristics for α-particle imaging, including measurements of intrinsic detector spatial resolutions and background count rates at various detector configurations and quantification of activity distributions. The technique was assessed for quantitative imaging of astatine-211 ((211)At) activity distributions in cryosections of murine and canine tissue samples. The highest spatial resolution was measured at ∼20 μm full width at half maximum and the α-particle background was measured at a rate as low as (2.6 ± 0.5) × 10(-4) cpm/cm(2) (40 mm diameter detector area). Simultaneous imaging of multiple tissue sections was

  3. Study of the phase transformation of single particles of Ga2O3 by UV-Raman spectroscopy and high-resolution TEM.

    Science.gov (United States)

    Wang, Xiang; Xu, Qian; Fan, Fengtao; Wang, Xiuli; Li, Mingrun; Feng, Zhaochi; Li, Can

    2013-09-01

    By taking advantage of UV-Raman spectroscopy and high-resolution TEM (HRTEM), combined with the focused ion beam (FIB) technique, the transformation from GaOOH into α-Ga2O3 and then into β-Ga2O3 was followed. We found that the stepwise transformations took place from the surface region before developing into the bulk of single particles without particle agglomeration and growth. During the transformation from GaOOH into α-Ga2O3, the elimination of water vapor through the dehydroxylation of GaOOH resulted in the formation of micropores in the single particles, whilst maintaining their particle size. For the phase transformation from α-Ga2O3 into β-Ga2O3, the nucleation of β-Ga2O3 was found to occur at the surface defects and this process could be retarded by occupying these defects with a small amount of La2O3. By finely controlling the process of the phase transformation, the β-Ga2O3 domains gradually developed from the surface into the bulk of the single particles without particle agglomeration. Therefore, the surface structure of the α-Ga2O3 single particles can be easily tuned and a particle with an α@β core-shell phase structure has been obtained. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Redundancy-free single-particle equation-of-motion method for nuclei. Pt. 1

    International Nuclear Information System (INIS)

    Rolnick, P.; Goswami, A.; Oregon Univ., Eugene

    1986-01-01

    The problem of coupling an odd nucleon to the collective states of an even core is considered in the intermediate-coupling limit. It is now well known that such intermediate-coupling calculations in spherical open-shell nuclei necessitate the inclusion of ground-state correlation or backward coupling which gives rise to an overcomplete basic set of states for the diagonalization of the hamiltonian. In a recent letter, we have derived a technique to free the single-particle equation-of-motion method of redundancy. Here we shall apply this redundancy-free equation-of-motion method to intermediate-coupling calculations in two regions of near-spherical odd-mass nuclei where forward coupling alone has not been successful. It is shown that qualitative effects of backward coupling previously reported are not spurious effects of double counting, although they are significantly modified by the removal of redundancy. We also discuss what further modifications of the theory will be needed in order to treat the dynamical interplay of collective and single-particle modes in nuclei self-consistently on the same footing. (orig.)

  5. Hierarchical Ag mesostructures for single particle SERS substrate

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Minwei, E-mail: xuminwei@xjtu.edu.cn; Zhang, Yin

    2017-01-30

    Highlights: • Hierarchical Ag mesostructures with the size of 250, 360 and 500 nm are synthesized via a seed-mediated approach. • The Ag mesostructures present the tailorable size and highly roughened surfaces. • The average enhancement factors for individual Ag mesostructures were estimated to be as high as 10{sup 6}. - Abstract: Hierarchical Ag mesostructures with highly rough surface morphology have been synthesized at room temperature through a simple seed-mediated approach. Electron microscopy characterizations indicate that the obtained Ag mesostructures exhibit a textured surface morphology with the flower-like architecture. Moreover, the particle size can be tailored easily in the range of 250–500 nm. For the growth process of the hierarchical Ag mesostructures, it is believed that the self-assembly mechanism is more reasonable rather than the epitaxial overgrowth of Ag seed. The oriented attachment of nanoparticles is revealed during the formation of Ag mesostructures. Single particle surface enhanced Raman spectra (sp-SERS) of crystal violet adsorbed on the hierarchical Ag mesostructures were measured. Results reveal that the hierarchical Ag mesostructures can be highly sensitive sp-SERS substrates with good reproducibility. The average enhancement factors for individual Ag mesostructures are estimated to be about 10{sup 6}.

  6. Orbital single particle tracking on a commercial confocal microscope using piezoelectric stage feedback

    International Nuclear Information System (INIS)

    Lanzanò, L; Gratton, E

    2014-01-01

    Single Particle Tracking (SPT) is a technique used to locate fluorescent particles with nanometer precision. In the orbital tracking method the position of a particle is obtained analyzing the distribution of intensity along a circular orbit scanned around the particle. In combination with an active feedback this method allows tracking of particles in 2D and 3D with millisecond temporal resolution. Here we describe a SPT setup based on a feedback approach implemented with minimal modification of a commercially available confocal laser scanning microscope, the Zeiss LSM 510, in combination with an external piezoelectric stage scanner. The commercial microscope offers the advantage of a user-friendly software interface and pre-calibrated hardware components. The use of an external piezo-scanner allows the addition of feedback into the system but also represents a limitation in terms of its mechanical response. We describe in detail this implementation of the orbital tracking method and discuss advantages and limitations. As an example of application to live cell experiments we perform the 3D tracking of acidic vesicles in live polarized epithelial cells. (paper)

  7. Neutron densities and the single particle structure of several even-even nuclei from 40Ca to 208Pb

    International Nuclear Information System (INIS)

    Ray, L.; Hodgson, P.E.

    1979-01-01

    Previously developed techniques which sum the squares of proton single particle wave functions to obtain nuclear charge densities are applied to the study of neutron distributions in /sup 40,48/Ca, /sup 58,64/Ni, /sup 116,124/Sn, and 208 Pb by comparing to those neutron densities deduced from 800 MeV proton elastic scattering data. The proton and neutron single particle wave functions are derived from a one-body, nonlocal Woods-Saxon binding potential whose parameters are adjusted to give the experimental single particle energies. Empirical spectroscopic factors determine the appropriate occupation probabilities for the single particle levels near the Fermi surface. Proper attention is given to nonorthogonality problems and to the removal of the spurious center-of-mass motion. These semiphenomenological neutron densities are compared to the predictions of the density matrix expansion variant of Hartree-Fock theory and to densities which are empirically deduced from recent 800 MeV polarized proton elastic scattering data. These ''experimental'' neutron distributions are obtained from approximate second order Kerman, McManus, and Thaler optical potential analyses using essentially ''model independent'' neutron densities. Qualitatively good agreement is obtained between the semiphenomenological neutron densities computed here, the density matrix expansion predictions, and the empirical results

  8. Angularly-resolved elastic scatter from single particles collected over a large solid angle and with high resolution

    International Nuclear Information System (INIS)

    Aptowicz, Kevin B; Chang, Richard K

    2005-01-01

    Elastic light scattering from a single non-spherical particle of various morphologies has been measured simultaneously with a large angular range (90 deg. < θ < 165 deg. and 0 deg. < φ < 360 deg.) and with high angular resolution (1024 pixels in θ and 512 pixels in φ). Because the single-shot laser pulse is short (pulse duration of 70 ns), the tumbling and flowing particle can be treated as frozen in space. The large angle two-dimensional angular optical scattering (hereafter referred to as LA TAOS) intensity pattern, I(θ,φ), has been measured for a variety of particle morphology, such as the following: (1) single polystyrene latex (PSL) sphere; (2) cluster of PSL spheres; (3) single Bacillus subtilis (BG) spore; (4) cluster of BG spores; (5) dried aggregates of bio-aerosols as well as background clutter aerosols. All these measurements were made using the second harmonic of a Nd:YAG laser (0.532 μm). Islands structures in the LA TAOS patterns seem to be the prominent feature. Efforts are being made to extract metrics from these islands and compare them to theoretical results based on the T-matrix method

  9. Wigglers and single-particle dynamics in the NLC damping rings

    International Nuclear Information System (INIS)

    Venturini, Marco; Wolski, Andrzej; Dragt, Alex

    2003-01-01

    Wiggler insertions are expected to occupy a significant portion of the lattice of the Next Linear Collider (NLC) Main Damping Rings (MDR) and have a noticeable impact on the single-particle beam dynamics. Starting from a realistic 3D representation of the magnetic fields we calculate the transfer maps for the wigglers, accounting for linear and nonlinear effects, and we study the beam dynamics with particular attention paid to the Dynamic Aperture(DA). A DA reduction is observed but appears to remain within acceptable limits

  10. First-principles momentum-dependent local ansatz wavefunction and momentum distribution function bands of iron

    International Nuclear Information System (INIS)

    Kakehashi, Yoshiro; Chandra, Sumal

    2016-01-01

    We have developed a first-principles local ansatz wavefunction approach with momentum-dependent variational parameters on the basis of the tight-binding LDA+U Hamiltonian. The theory goes beyond the first-principles Gutzwiller approach and quantitatively describes correlated electron systems. Using the theory, we find that the momentum distribution function (MDF) bands of paramagnetic bcc Fe along high-symmetry lines show a large deviation from the Fermi–Dirac function for the d electrons with e g symmetry and yield the momentum-dependent mass enhancement factors. The calculated average mass enhancement m*/m = 1.65 is consistent with low-temperature specific heat data as well as recent angle-resolved photoemission spectroscopy (ARPES) data. (author)

  11. Evolution of Single Particle and Collective properties in the Neutron-Rich Mg Isotopes

    CERN Multimedia

    Reiter, P; Wiens, A; Fitting, J; Lauer, M; Van duppen, P L E; Finke, F

    2002-01-01

    We propose to study the single particle and collective properties of the neutron-rich Mg isotopes in transfer reactions and Coulomb excitation using REX-ISOLDE and MINIBALL. From the Coulomb excitation measurement precise and largely model independent B( E2 ; 0$^{+}_{g.s.}\\rightarrow$ 2$^{+}_{1}$ ) will be determined for the even-even isotopes. For the odd isotopes the distribution of the E2 strength over a few low-lying states will be measured. The sign of the M1/E2 mixing ratio, extracted from angular distributions, is characteristic of the sign of the deformation, as is the resulting level scheme. The neutron-pickup channel in the transfer reactions will allow for a determination of the single particle properties (spin, parity, spectroscopic factors) of these nuclei. This information will give new insights in changes of nuclear structure in the vicinity of the island of deformation around $^{32}$Mg. A total of 24 shifts of REX beam time is requested.

  12. Competition between collective and single particle excitations in nuclear structure description

    International Nuclear Information System (INIS)

    Petrovici, A.N.

    1983-01-01

    The microscopic description of the quadrupole collective dynamics in even krypton isotopes is presented. A microscopic calculation of Bohr's collective Hamiltonian is used to describe the collective motion in 76 Kr. A single-particle basis calculated in a deformed Woods-Saxon potential leads to the potential energy surface obtained by the Strutinsky renormalization procedure, and to the inertial functions determined in the cranking model approximation. The collective Schroedinger equation is solved numerically to analyse the low-energy, even parity states in 76 Kr. A good agreement between experiment and theory is obtained without specifically adjusting any parameter in the model for this nucleus. Some results regarding statical and dynamical characteristics of sup(74,78,80)Kr isotopes are also presented. The asymmetric rotor model with admixture of two quasiparticles is used to describe the sup(66,68,70)Ge and the sup(64,66)Zn isotopes. The interplay of collective and single particle motions is further investigated by magnetic moment measurements using the method of integral angular correlations perturbed by recoil into gas. The results involve g-factor measurements for 166 Ho, 68 Ge, 64 Zn, 66 Zn and 68 Ga nuclei. Finally, a discussion of further possible improvements and more general developments of the problems under investigation is given. (author)

  13. Experimental study of single-phase pressure drops in coarse particle beds

    Energy Technology Data Exchange (ETDEWEB)

    Clavier, R., E-mail: remi.clavier@irsn.fr [IRSN Cadarache, Saint Paul-lez-Durance (France); Chikhi, N., E-mail: nourdine.chikhi@irsn.fr [IRSN Cadarache, Saint Paul-lez-Durance (France); Fichot, F., E-mail: florian.fichot@irsn.fr [IRSN Cadarache, Saint Paul-lez-Durance (France); Quintard, M., E-mail: Michel.Quintard@imft.fr [Université de Toulouse, Allée Camille Soula, F-31400 Toulouse (France); INPT, UPS, Allée Camille Soula, F-31400 Toulouse (France); IMFT (Institut de Mécanique des Fluides de Toulouse), Allée Camille Soula, F-31400 Toulouse (France); CNRS, F-31400 Toulouse (France)

    2017-02-15

    Motivated by uncertainty reduction in nuclear debris beds coolability, experiments have been conducted on the CALIDE facility in order to investigate single-phase pressure losses in representative debris beds, i.e., high sphericity (>80%) particle beds with small size dispersion (from 1 mm to 10 mm), for which no validated model exists. In this paper, experimental results are presented and analyzed in order to identify a simple correlation for single-phase flow pressure losses generated in this kind of porous media in reflooding flowing conditions, which cover Darcy to weakly turbulent regimes. In the literature, it has been observed that their behavior can be accurately described by a Darcy–Forchheimer law, involving the sum of a linear term and a quadratic non-linear deviation, with respect to the filtration velocity. Expressions for the coefficients of the linear and quadratic terms are determined by assessing the possibility to evaluate equivalent diameters, i.e., characteristic lengths allowing correct predictions of the linear and quadratic terms by the Ergun equation. It has been observed that the Sauter diameter of particles allows a very precise prediction of the linear term, while the quadratic term can be predicted using the product of the Sauter diameter and a sphericity coefficient as an equivalent diameter.

  14. Apparent increase in the thickness of superconducting particles at low temperatures measured by electron holography.

    Science.gov (United States)

    Hirsch, J E

    2013-10-01

    We predict that superconducting particles will show an apparent increase in thickness at low temperatures when measured by electron holography. This will result not from a real thickness increase, rather from an increase in the mean inner potential sensed by the electron wave traveling through the particle, originating in expansion of the electronic wavefunction of the superconducting electrons and resulting negative charge expulsion from the interior to the surface of the superconductor, giving rise to an increase in the phase shift of the electron wavefront going through the sample relative to the wavefront going through vacuum. The temperature dependence of the observed phase shifts will yield valuable new information on the physics of the superconducting state of metals. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Mobility and height detection of particle labels in an optical evanescent wave biosensor with single-label resolution

    NARCIS (Netherlands)

    van Ommering, K.; Somers, P.A.; Koets, M.; Schleipen, J.J.H.B.; IJzendoorn, van L.J.; Prins, M.W.J.

    2010-01-01

    Particle labels are used in biosensors to detect the presence and concentration of analyte molecules. In this paper we demonstrate an optical technique to measure the mobility and height of bound particle labels on a biosensor surface with single-label resolution. The technique is based on the

  16. Particle-bubble aggregate stability on static bubble generated by single nozzle on flotation process

    Science.gov (United States)

    Warjito, Harinaldi, Setyantono, Manus; Siregar, Sahala D.

    2016-06-01

    There are three sub-processes on flotation. These processes are intervening liquid film into critical thickness, rupture of liquid film forming three phase contact line, and expansion three phase contact line forming aggregate stability. Aggregate stability factor contribute to determine flotation efficiency. Aggregate stability has some important factors such as reagent and particle geometry. This research focussed on to understand effect of particle geometry to aggregate stability. Experimental setup consists of 9 x 9 x26 cm flotation column made of glass, bubble generator, particle feeding system, and high speed video camera. Bubble generator made from single nozzle with 0.3 mm diameter attached to programmable syringe pump. Particle feeding system made of pipette. Particle used in this research is taken from open pit Grasberg in Timika, Papua. Particle has sub-angular geometry and its size varies from 38 to 300 µm. Bubble-particle interaction are recorded using high speed video camera. Recordings from high speed video camera analyzed using image processing software. Experiment result shows that aggregate particle-bubble and induction time depends on particle size. Small particle (38-106 µm) has long induction time and able to rupture liquid film and also forming three phase contact line. Big particle (150-300 µm) has short induction time, so it unable to attach with bubble easily. This phenomenon is caused by apparent gravity work on particle-bubble interaction. Apparent gravity worked during particle sliding on bubble surface experience increase and reached its maximum magnitude at bubble equator. After particle passed bubble equator, apparent gravity force experience decrease. In conclusion particle size from 38-300 µm can form stable aggregate if particle attached with bubble in certain condition.

  17. Effect of single-particle splitting in the exact wave function of the isovectorial pairing Hamiltonian

    International Nuclear Information System (INIS)

    Lerma H, S.

    2010-01-01

    The structure of the exact wave function of the isovectorial pairing Hamiltonian with nondegenerate single-particle levels is discussed. The way that the single-particle splittings break the quartet condensate solution found for N=Z nuclei in a single degenerate level is established. After a brief review of the exact solution, the structure of the wave function is analyzed and some particular cases are considered where a clear interpretation of the wave function emerges. An expression for the exact wave function in terms of the isospin triplet of pair creators is given. The ground-state wave function is analyzed as a function of pairing strength, for a system of four protons and four neutrons. For small and large values of the pairing strength a dominance of two-pair (quartets) scalar couplings is found, whereas for intermediate values enhancements of the nonscalar couplings are obtained. A correlation of these enhancements with the creation of Cooper-like pairs is observed.

  18. Nuclear charge and magnetization densities of single particle states

    International Nuclear Information System (INIS)

    Frois, B.

    1985-01-01

    High energy electron scattering data have recently determined the spatial distributions of nucleons in the center of nuclei with amazing accuracy. For the first time we have access to the structure of the nuclear interior throughout the periodic table. The spatial resolution achieved by high momentum transfer measurements is now sufficient to define clearly the present limits of nuclear theory. The experimental situation is briefly reviewed and the results interpreted in the framework of self-consistent field theory. The shapes of single particle distributions in the nuclear interior are found to be in surprisingly good agreement with the predictions of mean field theory. The effects of correlations are discussed. (orig.)

  19. Nuclear charge and magnetization densities of single particle states

    International Nuclear Information System (INIS)

    Frois, B.

    1985-05-01

    High energy electron scattering data have recently determined the spatial distributions of nucleons in the center of nuclei with amazing accuracy. For the first time we have access to the structure of the nuclear interior throughout the periodic table. The spatial resolution achieved by high momentum transfer measurements is now sufficient to define clearly the present limits of nuclear theory. The experimental situation is briefly reviewed and the results interpreted in the framework of self-consistent field theory. The shapes of single particle distributions in the nuclear interior are found to be in surprisingly good agreement with the predictions of mean field theory. The effects of correlations are discussed

  20. Theoretical particle physics. Progress report, June 1, 1981-April 30, 1982

    International Nuclear Information System (INIS)

    Hendry, A.W.; Lichtenberg, D.B.; Weingarten, D.H.

    1982-05-01

    In the past year the group has worked on a substantial number of problems in elementary particle theory. Possible patterns of symmetry breaking in the SO(10) grand-unified theory were examined, pion-nucleon scattering was analyzed to reveal the existence of many high-spin resonances, the quark model was applied with relativistic kinematics to the study of mesons, baryons, and glueballs, the strength of the quark-gluon coupling constant was estimated, and effects of wave-function mixing in baryons was calculated. On the more theoretical side, Monte Carlo calculations were done in lattice theories, including phi 4 theories, gauge field theories, quantum gravity, and the Ising model

  1. The temporal evolution process from fluorescence bleaching to clean Raman spectra of single solid particles optically trapped in air

    Science.gov (United States)

    Gong, Zhiyong; Pan, Yong-Le; Videen, Gorden; Wang, Chuji

    2017-12-01

    We observe the entire temporal evolution process of fluorescence and Raman spectra of single solid particles optically trapped in air. The spectra initially contain strong fluorescence with weak Raman peaks, then the fluorescence was bleached within seconds, and finally only the clean Raman peaks remain. We construct an optical trap using two counter-propagating hollow beams, which is able to stably trap both absorbing and non-absorbing particles in air, for observing such temporal processes. This technique offers a new method to study dynamic changes in the fluorescence and Raman spectra from a single optically trapped particle in air.

  2. Inclusive photoproduction of single charged particles at high pT

    International Nuclear Information System (INIS)

    Apsimon, R.J.; Flower, P.S.; Hallewell, G.; Morris, J.A.G.; Morris, J.V.; Paterson, C.N.; Sharp, P.H.; Atkinson, M.; Brook, N.; Coyle, P.; Dickinson, B.; Donnachie, A.; Doyle, A.T.; Ellison, R.J.; Foster, J.M.; Hughes-Jones, R.E.; Ibbotson, M.; Kolya, S.D.; Lafferty, G.D.; McCann, H.; McManus, C.; Mercer, D.; Ottewell, P.J.; Reid, D.; Thompson, R.J.; Waterhouse, J.; Barberis, D.; Davenport, M.; Eades, J.; McClatchey, R.; Brodbeck, T.J.; Charity, T.; Clegg, A.B.; Henderson, R.C.W.; Hickman, M.T.; Keemer, N.R.; Newton, D.; O'Connor, A.; Wilson, G.W.; Danaher, S.; Galbraith, W.; Thacker, N.A.; Thompson, L.

    1989-01-01

    Single charged-particle inclusive cross sections for photon, pion and kaon beams on hydrogen at the CERN-SPS are presented as functions of p T and x F . Data cover the range 0.0 T F T < 1.6 GeV/c for the photon-induced data. Using the hadron-induced data to estimate the hadronic behaviour of the photon, the difference distributions and ratios of cross sections are a measure of the contribution of the point-like photon interactions. The data are compared with QCD calculations and show broadly similar features. (orig.)

  3. Analysis and differentiation of mineral dust by single particle laser mass spectrometry

    International Nuclear Information System (INIS)

    Gallavardin, S. J.; Lohmann, U.; Cziczo, Daniel J.

    2008-01-01

    This study evaluates the potential of single particle laser desorption/ionization mass spectrometry for the analysis of atmospherically relevant mineral dusts. Samples of hematite, goethite, calcium carbonate, calcium sulfate, silica, quartz, montmorrillonite, kaolinite, illite, hectorite, wollastonite and nephelinsyenit were investigated in positive and negative ion mode with a monopolar time-of-flight mass spectrometer where the desorption/ionization step was performed with a 193 nm excimer laser (∼10 9 W/cm 2 ). Particle size ranged from 500 nm to 3 (micro)m. Positive mass spectra mainly provide elemental composition whereas negative ion spectra provide information on element speciation and of a structural nature. The iron oxide, calcium-rich and aluminosilicate nature of particles is established in positive ion mode. The differentiation of calcium materials strongly relies on the calcium counter-ions in negative mass spectra. Aluminosilicates can be differentiated in both positive and negative ion mode using the relative abundance of various aluminum and silicon ions

  4. First-order reversal curves of single domain particles: diluted random assemblages and chains

    Science.gov (United States)

    Egli, R.

    2009-04-01

    Exact magnetic models can be used to calculate first-order reversal curves (FORC) of single domain (SD) particle assemblages, as shown by Newell [2005] for the case of isolated Stoner-Wohlfarth particles. After overcoming experimental difficulties, a FORC diagram sharing many similarities to Newell's model has been measured on a lake sediment sample (see A.P. Chen et al., "Quantification of magnetofossils using first-order reversal curves", EGU General Assembly 2009, Abstracts Vol. 11, EGU2009-10719). This sample contains abundant magnetofossils, as shown by coercivity analysis and electron microscopy, therefore suggesting that well dispersed, intact magnetosome chains are the main SD carriers. Subtle differences between the reversible and the irreversible contributions of the measured FORC distribution suggest that magnetosome chains might not be correctly described by the Stoner-Wohlfarth model. To better understand the hysteresis properties of such chains, a simple magnetic model has been implemented, taking dipole-dipole interactions between particles within the same chain into account. The model results depend on the magnetosome elongation, the number of magnetosomes in a chain, and the gap between them. If the chain axis is subparallel to the applied field, the magnetic moment reverses by a pseudo-fanning mode, which is replaced by a pseudo-coherent rotation mode at greater angles. These reversal modes are intrinsically different from coherent rotation assumed Stoner-Wohlfarth model, resulting in FORC diagrams with a smaller reversible component. On the other hand, isolated authigenic SD particles can precipitate in the sediment matrix, as it might occur for pedogenic magnetite. In this case, an assembly of randomly located particles provides a possible model for the resulting FORC diagram. If the concentration of the particles is small, each particle is affected by a random interaction field whose statistical distribution can be calculated from first

  5. g factors and the interplay of collective and single-particle degrees of freedom in superdeformed mass-190 nuclei

    International Nuclear Information System (INIS)

    Sun, Yang; Zhang, Jing-ye; Guidry, Mike

    2001-01-01

    Interplay of collective and single-particle degrees of freedom is a common phenomenon in strongly correlated many-body systems. Despite many successful efforts in the study of superdeformed nuclei, there is still unexplored physics that can be best understood only through the nuclear magnetic properties. We point out that study of the gyromagnetic factor (g factor) may open a unique opportunity for understanding superdeformed structure. Our calculations suggest that investigation of the g-factor dependence on spin and particle number can provide important information on single-particle structure and its interplay with collective motion in the superdeformed mass-190 nuclei. Modern experimental techniques combined with the new generation of sensitive detectors should be capable of testing our predictions

  6. Single Particle Potential of a Σ Hyperon in Nuclear Matter. II Rearrangement Effects

    International Nuclear Information System (INIS)

    Dabrowski, J.

    2000-01-01

    The rearrangement contribution to the real part of the single particle potential of a Σ hyperon in nuclear matter, U Σ , is investigated. The isospin and spin dependent parts of U Σ are considered. Results obtained for four models of the Nijmegen baryon-baryon interaction are presented and discussed. (author)

  7. Quantitative single-particle digital autoradiography with α-particle emitters for targeted radionuclide therapy using the iQID camera

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Brian W., E-mail: brian.miller@pnnl.gov [Pacific Northwest National Laboratory, Richland, Washington 99354 and College of Optical Sciences, The University of Arizona, Tucson, Arizona 85719 (United States); Frost, Sofia H. L.; Frayo, Shani L.; Kenoyer, Aimee L.; Santos, Erlinda; Jones, Jon C.; Orozco, Johnnie J. [Fred Hutchinson Cancer Research Center, Seattle, Washington 98109 (United States); Green, Damian J.; Press, Oliver W.; Pagel, John M.; Sandmaier, Brenda M. [Fred Hutchinson Cancer Research Center, Seattle, Washington 98109 and Department of Medicine, University of Washington, Seattle, Washington 98195 (United States); Hamlin, Donald K.; Wilbur, D. Scott [Department of Radiation Oncology, University of Washington, Seattle, Washington 98195 (United States); Fisher, Darrell R. [Dade Moeller Health Group, Richland, Washington 99354 (United States)

    2015-07-15

    Purpose: Alpha-emitting radionuclides exhibit a potential advantage for cancer treatments because they release large amounts of ionizing energy over a few cell diameters (50–80 μm), causing localized, irreparable double-strand DNA breaks that lead to cell death. Radioimmunotherapy (RIT) approaches using monoclonal antibodies labeled with α emitters may thus inactivate targeted cells with minimal radiation damage to surrounding tissues. Tools are needed to visualize and quantify the radioactivity distribution and absorbed doses to targeted and nontargeted cells for accurate dosimetry of all treatment regimens utilizing α particles, including RIT and others (e.g., Ra-223), especially for organs and tumors with heterogeneous radionuclide distributions. The aim of this study was to evaluate and characterize a novel single-particle digital autoradiography imager, the ionizing-radiation quantum imaging detector (iQID) camera, for use in α-RIT experiments. Methods: The iQID camera is a scintillator-based radiation detection system that images and identifies charged-particle and gamma-ray/x-ray emissions spatially and temporally on an event-by-event basis. It employs CCD-CMOS cameras and high-performance computing hardware for real-time imaging and activity quantification of tissue sections, approaching cellular resolutions. In this work, the authors evaluated its characteristics for α-particle imaging, including measurements of intrinsic detector spatial resolutions and background count rates at various detector configurations and quantification of activity distributions. The technique was assessed for quantitative imaging of astatine-211 ({sup 211}At) activity distributions in cryosections of murine and canine tissue samples. Results: The highest spatial resolution was measured at ∼20 μm full width at half maximum and the α-particle background was measured at a rate as low as (2.6 ± 0.5) × 10{sup −4} cpm/cm{sup 2} (40 mm diameter detector area

  8. Uncertainty relations and reduced density matrices: Mapping many-body quantum mechanics onto four particles

    Science.gov (United States)

    Mazziotti, David A.; Erdahl, Robert M.

    2001-04-01

    For the description of ground-state correlation phenomena an accurate mapping of many-body quantum mechanics onto four particles is developed. The energy for a quantum system with no more than two-particle interactions may be expressed in terms of a two-particle reduced density matrix (2-RDM), but variational optimization of the 2-RDM requires that it corresponds to an N-particle wave function. We derive N-representability conditions on the 2-RDM that guarantee the validity of the uncertainty relations for all operators with two-particle interactions. One of these conditions is shown to be necessary and sufficient to make the RDM solutions of the dispersion condition equivalent to those from the contracted Schrödinger equation (CSE) [Mazziotti, Phys. Rev. A 57, 4219 (1998)]. In general, the CSE is a stronger N-representability condition than the dispersion condition because the CSE implies the dispersion condition as well as additional N-representability constraints from the Hellmann-Feynman theorem. Energy minimization subject to the representability constraints is performed for a boson model with 10, 30, and 75 particles. Even when traditional wave-function methods fail at large perturbations, the present method yields correlation energies within 2%.

  9. Single-Molecule Fluorescence Microscopy Reveals Local Diffusion Coefficients in the Pore Network of an Individual Catalyst Particle

    NARCIS (Netherlands)

    Hendriks, Frank|info:eu-repo/dai/nl/412642697; Meirer, Florian; Kubarev, Alexey V.; Ristanovic, Zoran|info:eu-repo/dai/nl/328233005; Roeffaers, Maarten B J; Vogt, Eelco T. C.|info:eu-repo/dai/nl/073717398; Bruijnincx, Pieter C. A.|info:eu-repo/dai/nl/33799529X; Weckhuysen, Bert M.|info:eu-repo/dai/nl/285484397

    2017-01-01

    We used single-molecule fluorescence microscopy to study self-diffusion of a feedstock-like probe molecule with nanometer accuracy in the macropores of a micrometer-sized, real-life fluid catalytic cracking (FCC) particle. Movies of single fluorescent molecules allowed their movement through the

  10. Electrocatalytic oxidation of alcohols on single gold particles in highly ordered SiO2 cavities

    International Nuclear Information System (INIS)

    Li, Na; Zhou, Qun; Tian, Shu; Zhao, Hong; Li, Xiaowei; Adkins, Jason; Gu, Zhuomin; Zhao, Lili; Zheng, Junwei

    2013-01-01

    In the present work, we report a new and simple approach for preparing a highly ordered Au (1 1 1) nanoparticle (NP) array in SiO 2 cavities on indium-doped tin oxide (ITO) electrodes. We fabricated a SiO 2 cavity array on the surface of an ITO electrode using highly ordered self-assembly of polystyrene spheres as a template. Gold NPs were electrodeposited at the bottom of the SiO 2 cavities, and single gold NPs dominated with (1 1 1) facets were generated in each cavity by annealing the electrode at a high temperature. Such (1 1 1) facets were the predominate trait of the single gold particle which exhibited considerable electrocatalytic activity toward oxidation of methanol, ethanol, and glycerol. This has been attributed to the formation of incipient hydrous oxides at unusually low potential on the specific (1 1 1) facet of the gold particles. Moreover, each cavity of the SiO 2 possibly behaves as an independent electrochemical cell in which the methanol molecules are trapped; this produces an environment advantageous to catalyzing electrooxidation. The oxidation of methanol on the electrodes is a mixed control mechanism (both by diffusion and electrode kinetics). This strategy both provided an approach to study electrochemical reactions on a single particle in a microenvironment and may supply a way to construct alcohols sensors

  11. Direct uranium isotope ratio analysis of single micrometer-sized glass particles

    International Nuclear Information System (INIS)

    Kappel, Stefanie; Boulyga, Sergei F.; Prohaska, Thomas

    2012-01-01

    We present the application of nanosecond laser ablation (LA) coupled to a ‘Nu Plasma HR’ multi collector inductively coupled plasma mass spectrometer (MC-ICP-MS) for the direct analysis of U isotope ratios in single, 10–20 μm-sized, U-doped glass particles. Method development included studies with respect to (1) external correction of the measured U isotope ratios in glass particles, (2) the applied laser ablation carrier gas (i.e. Ar versus He) and (3) the accurate determination of lower abundant 236 U/ 238 U isotope ratios (i.e. 10 −5 ). In addition, a data processing procedure was developed for evaluation of transient signals, which is of potential use for routine application of the developed method. We demonstrate that the developed method is reliable and well suited for determining U isotope ratios of individual particles. Analyses of twenty-eight S1 glass particles, measured under optimized conditions, yielded average biases of less than 0.6% from the certified values for 234 U/ 238 U and 235 U/ 238 U ratios. Experimental results obtained for 236 U/ 238 U isotope ratios deviated by less than −2.5% from the certified values. Expanded relative total combined standard uncertainties U c (k = 2) of 2.6%, 1.4% and 5.8% were calculated for 234 U/ 238 U, 235 U/ 238 U and 236 U/ 238 U, respectively. - Highlights: ► LA-MC-ICP-MS was fully validated for the direct analysis of individual particles. ► Traceability was established by using an IRMM glass particle reference material. ► Measured U isotope ratios were in agreement with the certified range. ► A comprehensive total combined uncertainty evaluation was performed. ► The analysis of 236 U/ 238 U isotope ratios was improved by using a deceleration filter.

  12. Heterogeneous reactivity of sea spray particles during the CalNex field campaign: Insight from single particle measurements and correlations with gas phase measurements

    Science.gov (United States)

    Gaston, C. J.; Riedel, T. P.; Thornton, J. A.; Wagner, N.; Brown, S. S.; Quinn, P.; Bates, T. S.; Prather, K. A.

    2011-12-01

    Sea spray particles are ubiquitous in marine environments. Heterogeneous reactions between sea spray particles and gas phase pollutants, such as HNO3(g), and N2O5(g), alter particle composition by displacing particulate phase halogens in sea spray and releasing these halogen species into the gas phase; these halogen-containing gas phase species play a significant role in tropospheric ozone production. Measurements of both gas phase and particle phase species on board the R/V Atlantis during the CalNEX 2010 field campaign provided an opportunity to examine the impact of heterogeneous reactivity of marine aerosols along the California coast. During the cruise, coastal measurements were made near the Santa Monica and Port of Los Angeles regions to monitor the chemical processing of marine aerosols. Sea spray particles were analyzed since these particles were the major chloride-containing particles detected. Real-time single particle measurements made using an aerosol time-of-flight mass spectrometer (ATOFMS) revealed the nocturnal processing of sea spray particles through the loss of particulate chloride and a simultaneous gain in particulate nitrate. Gas phase measurements are consistent with the particle phase observations: As N2O5(g) levels rose overnight, the production of ClNO2(g) coincided with the decrease in particulate chloride. These observations provide unique insight into heterogeneous reactivity from both a gas and particle phase perspective. Results from these measurements can be used to better constrain the rate of heterogeneous reactions on sea spray particles.

  13. High-efficiency wavefunction updates for large scale Quantum Monte Carlo

    Science.gov (United States)

    Kent, Paul; McDaniel, Tyler; Li, Ying Wai; D'Azevedo, Ed

    Within ab intio Quantum Monte Carlo (QMC) simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunctions. The evaluation of each Monte Carlo move requires finding the determinant of a dense matrix, which is traditionally iteratively evaluated using a rank-1 Sherman-Morrison updating scheme to avoid repeated explicit calculation of the inverse. For calculations with thousands of electrons, this operation dominates the execution profile. We propose a novel rank- k delayed update scheme. This strategy enables probability evaluation for multiple successive Monte Carlo moves, with application of accepted moves to the matrices delayed until after a predetermined number of moves, k. Accepted events grouped in this manner are then applied to the matrices en bloc with enhanced arithmetic intensity and computational efficiency. This procedure does not change the underlying Monte Carlo sampling or the sampling efficiency. For large systems and algorithms such as diffusion Monte Carlo where the acceptance ratio is high, order of magnitude speedups can be obtained on both multi-core CPU and on GPUs, making this algorithm highly advantageous for current petascale and future exascale computations.

  14. Flavor hierarchy in SO(10) grand unified theories via 5-dimensional wave-function localization

    Science.gov (United States)

    Kitano, Ryuichiro; Li, Tianjun

    2003-06-01

    A mechanism to generate fermion-mass hierarchy in SO(10) grand unified theories is considered. We find that the lopsided family structure, which is suitable to the large angle Mikheyev-Smirnov-Wolfenstein solution to solar neutrino oscillation, is realized without introducing extra matter fields if the hierarchy originates from the wave-function profile in an extra dimension. Unlike the Froggatt-Nielsen mechanism, the SO(10) breaking effect may directly contribute to the source of the hierarchy, i.e., the bulk mass terms. It naturally explains the difference of the hierarchical patterns between the quark and the lepton sectors. We also find the possibility of horizontal unification, in which three generations of matter fields are unified to a 3-dimensional representation of an SU(2) gauge group.

  15. Flavor hierarchy in SO(10) grand unified theories via 5-dimensional wave-function localization

    International Nuclear Information System (INIS)

    Kitano, Ryuichiro; Li Tianjun

    2003-01-01

    A mechanism to generate fermion-mass hierarchy in SO(10) grand unified theories is considered. We find that the lopsided family structure, which is suitable to the large angle Mikheyev-Smirnov-Wolfenstein solution to solar neutrino oscillation, is realized without introducing extra matter fields if the hierarchy originates from the wave-function profile in an extra dimension. Unlike the Froggatt-Nielsen mechanism, the SO(10) breaking effect may directly contribute to the source of the hierarchy, i.e., the bulk mass terms. It naturally explains the difference of the hierarchical patterns between the quark and the lepton sectors. We also find the possibility of horizontal unification, in which three generations of matter fields are unified to a 3-dimensional representation of an SU(2) gauge group

  16. Analysis of a Single Hot Particle by a Combination of Non-Destructive Analytical Methods

    Energy Technology Data Exchange (ETDEWEB)

    Hrnecek, E.; Aldave de las Heras, L.; Bielewski, M.; Carlos, R. [EC JRC Institute for Transuranium Elements, Karlsruhe (Germany); Betti, M. [IAEA Environment Laboratories (Monaco)

    2013-07-15

    Radioactive substances are often released to the environment in the form of particles. The determination of their chemical composition is a key factor in the overall understanding of their environmental behaviour. The aim of this investigation was to identify the source of one single radioactive particle collected from the Irish Sea and to understand its fate in the environment and in human body fluids. As the particle was supposed to be analysed for its dissolution behaviour in humans after ingestion, it was necessary to gain as much information as possible beforehand on the chemical and isotopic composition by means of non-destructive analysis such as SEM, SIMS, {mu}-XRF and {mu}-XANES. In this paper, an overview of the different non-destructive methods applied for the analysis of this particle and the results obtained is given. Additionally, the dissolution behaviour in human digestive solutions is discussed. (author)

  17. Temperature effects on drift of suspended single-domain particles induced by the Magnus force

    Science.gov (United States)

    Denisov, S. I.; Lyutyy, T. V.; Reva, V. V.; Yermolenko, A. S.

    2018-03-01

    We study the temperature dependence of the drift velocity of single-domain ferromagnetic particles induced by the Magnus force in a dilute suspension. A set of stochastic equations describing the translational and rotational dynamics of particles is derived, and the particle drift velocity that depends on components of the average particle magnetization is introduced. The Fokker-Planck equation for the probability density of magnetization orientations is solved analytically in the limit of strong thermal fluctuations for both the planar rotor and general models. Using these solutions, we calculate the drift velocity and show that the out-of-plane fluctuations of magnetization, which are not accounted for in the planar rotor model, play an important role. In the general case of arbitrary fluctuations, we investigate the temperature dependence of the drift velocity by numerically simulating a set of effective stochastic differential equations for the magnetization dynamics.

  18. Evaluation strategies for isotope ratio measurements of single particles by LA-MC-ICPMS.

    Science.gov (United States)

    Kappel, S; Boulyga, S F; Dorta, L; Günther, D; Hattendorf, B; Koffler, D; Laaha, G; Leisch, F; Prohaska, T

    2013-03-01

    Data evaluation is a crucial step when it comes to the determination of accurate and precise isotope ratios computed from transient signals measured by multi-collector-inductively coupled plasma mass spectrometry (MC-ICPMS) coupled to, for example, laser ablation (LA). In the present study, the applicability of different data evaluation strategies (i.e. 'point-by-point', 'integration' and 'linear regression slope' method) for the computation of (235)U/(238)U isotope ratios measured in single particles by LA-MC-ICPMS was investigated. The analyzed uranium oxide particles (i.e. 9073-01-B, CRM U010 and NUSIMEP-7 test samples), having sizes down to the sub-micrometre range, are certified with respect to their (235)U/(238)U isotopic signature, which enabled evaluation of the applied strategies with respect to precision and accuracy. The different strategies were also compared with respect to their expanded uncertainties. Even though the 'point-by-point' method proved to be superior, the other methods are advantageous, as they take weighted signal intensities into account. For the first time, the use of a 'finite mixture model' is presented for the determination of an unknown number of different U isotopic compositions of single particles present on the same planchet. The model uses an algorithm that determines the number of isotopic signatures by attributing individual data points to computed clusters. The (235)U/(238)U isotope ratios are then determined by means of the slopes of linear regressions estimated for each cluster. The model was successfully applied for the accurate determination of different (235)U/(238)U isotope ratios of particles deposited on the NUSIMEP-7 test samples.

  19. Stochastic transport of particles across single barriers

    International Nuclear Information System (INIS)

    Kreuter, Christian; Siems, Ullrich; Henseler, Peter; Nielaba, Peter; Leiderer, Paul; Erbe, Artur

    2012-01-01

    Transport phenomena of interacting particles are of high interest for many applications in biology and mesoscopic systems. Here we present measurements on colloidal particles, which are confined in narrow channels on a substrate and interact with a barrier, which impedes the motion along the channel. The substrate of the particle is tilted in order for the particles to be driven towards the barrier and, if the energy gained by the tilt is large enough, surpass the barrier by thermal activation. We therefore study the influence of this barrier as well as the influence of particle interaction on the particle transport through such systems. All experiments are supported with Brownian dynamics simulations in order to complement the experiments with tests of a large range of parameter space which cannot be accessed in experiments.

  20. Photoresponsive Release from Azobenzene-Modified Single Cubic Crystal NaCl/Silica Particles

    Directory of Open Access Journals (Sweden)

    Xingmao Jiang

    2011-01-01

    Full Text Available Azobenzene ligands were uniformly anchored to the pore surfaces of nanoporous silica particles with single crystal NaCl using 4-(3-triethoxysilylpropylureidoazobenzene (TSUA. The functionalization delayed the release of NaCl significantly. The modified particles demonstrated a photocontrolled release by trans/cis isomerization of azobenzene moieties. The addition of amphiphilic solvents, propylene glycol (PG, propylene glycol propyl ether (PGPE, and dipropylene glycol propyl ether (DPGPE delayed the release in water, although the wetting behavior was improved and the delay is the most for the block molecules with the longest carbon chain. The speedup by UV irradiation suggests a strong dependence of diffusion on the switchable pore size. TGA, XRD, FTIR, and NMR techniques were used to characterize the structures.

  1. Single Particle Soot Photometer intercomparison at the AIDA chamber

    Directory of Open Access Journals (Sweden)

    M. Laborde

    2012-12-01

    Full Text Available Soot particles, consisting of black carbon (BC, organic carbon (OC, inorganic salts, and trace elements, are emitted into the atmosphere during incomplete combustion. Accurate measurements of atmospheric BC are important as BC particles cause adverse health effects and impact the climate.

    Unfortunately, the accurate measurement of the properties and mass concentrations of BC particles remains difficult. The Single Particle Soot Photometer (SP2 can contribute to improving this situation by measuring the mass of refractory BC in individual particles as well as its mixing state.

    Here, the results of the first detailed SP2 intercomparison, involving 6 SP2s from 6 different research groups, are presented, including the most evolved data products that can presently be calculated from SP2 measurements.

    It was shown that a detection efficiency of almost 100% down to 1 fg BC per particle can readily be achieved, and that this limit can be pushed down to ∼0.2 fg BC with optimal SP2 setup. Number and mass size distributions of BC cores agreed within ±5% and ±10%, respectively, in between the SP2s, with larger deviations in the range below 1 fg BC.

    The accuracy of the SP2's mass concentration measurement depends on the calibration material chosen. The SP2 has previously been shown to be equally sensitive to fullerene soot and ambient BC from sources where fossil fuel was dominant and less sensitive to fullerene soot than to Aquadag. Fullerene soot was therefore chosen as the standard calibration material by the SP2 user community; however, many data sets rely solely on Aquadag calibration measurements. The difference in SP2 sensitivity was found to be almost equal (fullerene soot to Aquadag response ratio of ∼0.75 at 8.9 fg BC for all SP2s. This allows the calculation of a fullerene soot equivalent calibration curve from a measured Aquadag calibration, when no fullerene soot calibration is available. It could be

  2. Single-particle thermal diffusion of charged colloids: Double-layer theory in a temperature gradient

    NARCIS (Netherlands)

    Dhont, J.K.G.; Briels, Willem J.

    2008-01-01

    The double-layer contribution to the single-particle thermal diffusion coefficient of charged, spherical colloids with arbitrary double-layer thickness is calculated and compared to experiments. The calculation is based on an extension of the Debye-Hückel theory for the double-layer structure that

  3. Single-particle density matrix and superfluidity in the two-dimensional Bose Coulomb fluid

    International Nuclear Information System (INIS)

    Minguzzi, A.; Tosi, M.P.; Davoudi, B.

    2002-01-01

    A study by Magro and Ceperley [Phys. Rev. Lett. 73, 826 (1994)] has shown that the ground state of the two-dimensional fluid of charged bosons with logarithmic interactions is not Bose condensed, but exhibits algebraic off-diagonal order in the single-particle density matrix ρ(r). We use a hydrodynamic Hamiltonian expressed in terms of density and phase operators, in combination with an f-sum rule on the superfluid fraction, to reproduce these results and to extend the evaluation of the density matrix to finite temperature T. This approach allows us to treat the liquid as a superfluid in the absence of a condensate. The algebraic decay of the one-body density matrix is due to correlations between phase fluctuations, and we find that the exponent in the power law is determined by the superfluid density n s (T). We also find that the plasmon gap in the single-particle energy spectrum at long wavelengths decreases with increasing T and closes at the critical temperature for the onset of superfluidity

  4. Pairing in the BCS and LN approximations using continuum single particle level density

    International Nuclear Information System (INIS)

    Id Betan, R.M.; Repetto, C.E.

    2017-01-01

    Understanding the properties of drip line nuclei requires to take into account the correlations with the continuum spectrum of energy of the system. This paper has the purpose to show that the continuum single particle level density is a convenient way to consider the pairing correlation in the continuum. Isospin mean-field and isospin pairing strength are used to find the Bardeen–Cooper–Schrieffer (BCS) and Lipkin–Nogami (LN) approximate solutions of the pairing Hamiltonian. Several physical properties of the whole chain of the Tin isotope, as gap parameter, Fermi level, binding energy, and one- and two-neutron separation energies, were calculated and compared with other methods and with experimental data when they exist. It is shown that the use of the continuum single particle level density is an economical way to include explicitly the correlations with the continuum spectrum of energy in large scale mass calculation. It is also shown that the computed properties are in good agreement with experimental data and with more sophisticated treatment of the pairing interaction.

  5. Expanding Single Particle Mass Spectrometer Analyses for the Identification of Microbe Signatures in Sea Spray Aerosol.

    Science.gov (United States)

    Sultana, Camille M; Al-Mashat, Hashim; Prather, Kimberly A

    2017-10-03

    Ocean-derived microbes in sea spray aersosol (SSA) have the potential to influence climate and weather by acting as ice nucleating particles in clouds. Single particle mass spectrometers (SPMSs), which generate in situ single particle composition data, are excellent tools for characterizing aerosols under changing environmental conditions as they can provide high temporal resolution and require no sample preparation. While SPMSs have proven capable of detecting microbes, these instruments have never been utilized to definitively identify aerosolized microbes in ambient sea spray aersosol. In this study, an aerosol time-of-flight mass spectrometer was used to analyze laboratory generated SSA produced from natural seawater in a marine aerosol reference tank. We present the first description of a population of biological SSA mass spectra (BioSS), which closely match the ion signatures observed in previous terrestrial microbe studies. The fraction of BioSS dramatically increased in the largest supermicron particles, consistent with field and laboratory measurements of microbes ejected by bubble bursting, further supporting the assignment of BioSS mass spectra as microbes. Finally, as supported by analysis of inorganic ion signals, we propose that dry BioSS particles have heterogeneous structures, with microbes adhered to sodium chloride nodules surrounded by magnesium-enriched coatings. Consistent with this structure, chlorine-containing ion markers were ubiquitous in BioSS spectra and identified as possible tracers for distinguishing recently aerosolized marine from terrestrial microbes.

  6. Particle levitation and laboratory scattering

    International Nuclear Information System (INIS)

    Reid, Jonathan P.

    2009-01-01

    Measurements of light scattering from aerosol particles can provide a non-intrusive in situ method for characterising particle size distributions, composition, refractive index, phase and morphology. When coupled with techniques for isolating single particles, considerable information on the evolution of the properties of a single particle can be gained during changes in environmental conditions or chemical processing. Electrostatic, acoustic and optical techniques have been developed over many decades for capturing and levitating single particles. In this review, we will focus on studies of particles in the Mie size regime and consider the complimentarity of electrostatic and optical techniques for levitating particles and elastic and inelastic light scattering methods for characterising particles. In particular, we will review the specific advantages of establishing a single-beam gradient force optical trap (optical tweezers) for manipulating single particles or arrays of particles. Recent developments in characterising the nature of the optical trap, in applying elastic and inelastic light scattering measurements for characterising trapped particles, and in manipulating particles will be considered.

  7. Evaluation of Aerosol Mixing State Classes in the GISS Modele-matrix Climate Model Using Single-particle Mass Spectrometry Measurements

    Science.gov (United States)

    Bauer, Susanne E.; Ault, Andrew; Prather, Kimberly A.

    2013-01-01

    Aerosol particles in the atmosphere are composed of multiple chemical species. The aerosol mixing state, which describes how chemical species are mixed at the single-particle level, provides critical information on microphysical characteristics that determine the interaction of aerosols with the climate system. The evaluation of mixing state has become the next challenge. This study uses aerosol time-of-flight mass spectrometry (ATOFMS) data and compares the results to those of the Goddard Institute for Space Studies modelE-MATRIX (Multiconfiguration Aerosol TRacker of mIXing state) model, a global climate model that includes a detailed aerosol microphysical scheme. We use data from field campaigns that examine a variety of air mass regimens (urban, rural, and maritime). At all locations, polluted areas in California (Riverside, La Jolla, and Long Beach), a remote location in the Sierra Nevada Mountains (Sugar Pine) and observations from Jeju (South Korea), the majority of aerosol species are internally mixed. Coarse aerosol particles, those above 1 micron, are typically aged, such as coated dust or reacted sea-salt particles. Particles below 1 micron contain large fractions of organic material, internally-mixed with sulfate and black carbon, and few external mixtures. We conclude that observations taken over multiple weeks characterize typical air mass types at a given location well; however, due to the instrumentation, we could not evaluate mass budgets. These results represent the first detailed comparison of single-particle mixing states in a global climate model with real-time single-particle mass spectrometry data, an important step in improving the representation of mixing state in global climate models.

  8. Quadrupole moments of highly deformed structures in the A ∼ 135 region: Probing the single-particle motion in a rotating potential

    International Nuclear Information System (INIS)

    Laird, R.W.; Riley, M.A.; Brown, T.B.; Pfohl, J.; Sheline, R.K.; Kondev, F.G.; Archer, D.E.; Clark, R.M.; Fallon, P.; Devlin, M.; LaFosse, D.R.; Sarantites, D.G.; Hartley, D.J.; Hibbert, I.M.; O'Brien, N.J.; Wadsworth, R.; Joss, D.T.; Nolan, P.J.; Paul, E.S.; Shepherd, S.L.

    2002-01-01

    The latest generation γ-ray detection system, GAMMASPHERE, coupled with the Microball charged-particle detector, has made possible a new class of nuclear lifetime measurement. For the first time differential lifetime measurements free from common systematic errors for over 15 different nuclei (>30 rotational bands in various isotopes of Ce, Pr, Nd, Pm, and Sm) have been extracted at high spin within a single experiment. This comprehensive study establishes the effective single-particle transition quadrupole moments in the A∼135 light rare-earth region. Detailed comparisons are made with theoretical calculations using the self-consistent cranked mean-field theory which convincingly demonstrates the validity of the additivity of single-particle quadrupole moments in this mass region

  9. The ratio of double to single ionization of helium: The relationship of photon and bare charged particle impact ionization

    International Nuclear Information System (INIS)

    Manson, S.T.

    1994-01-01

    In this paper the author derives expressions for the ratio of double to single ionization of helium from its ground state, by both single photons, and charged particle impact. He shows that in the limit of large reduced incident energy T of a charged particle, that the ratio of the double to single ionization cross sections at some energy transfer ΔE is equal to the ratio of photoionization cross sections for a photon of energy hν = ΔE, independent of T. He then goes on to find a relationship for this ionization ratio which is not restricted to some specific energy transfer, and shows that the double to single ionization cross section ratio approaches an asymtotic limit for large enough T

  10. Applications of differential algebra to single-particle dynamics in storage rings

    International Nuclear Information System (INIS)

    Yan, Y.

    1991-09-01

    Recent developments in the use of differential algebra to study single-particle beam dynamics in charged-particle storage rings are the subject of this paper. Chapter 2 gives a brief review of storage rings. The concepts of betatron motion and synchrotron motion, and their associated resonances, are introduced. Also introduced are the concepts of imperfections, such as off-momentum, misalignment, and random and systematic errors, and their associated corrections. The chapter concludes with a discussion of numerical simulation principles and the concept of one-turn periodic maps. In Chapter 3, the discussion becomes more focused with the introduction of differential algebras. The most critical test for differential algebraic mapping techniques -- their application to long-term stability studies -- is discussed in Chapter 4. Chapter 5 presents a discussion of differential algebraic treatment of dispersed betatron motion. The paper concludes in Chapter 6 with a discussion of parameterization of high-order maps

  11. Single-Particle Momentum Distributions of Efimov States in Mixed-Species Systems

    DEFF Research Database (Denmark)

    T. Yamashita, M.; F. Bellotti, F.; Frederico, T.

    2013-01-01

    to derive formulas for the scaling factor of the Efimov spectrum for any mass ratio assuming either that two or three of the two-body subsystems have a bound state at zero energy. We consider the single-particle momentum distribution analytically and numerically and analyse the tail of the momentum......We solve the three-body bound state problem in three dimensions for mass imbalanced systems of two identical bosons and a third particle in the universal limit where the interactions are assumed to be of zero-range. The system displays the Efimov effect and we use the momentum-space wave equation...... distribution to obtain the three-body contact parameter. Our finding demonstrate that the functional form of the three-body contact term depends on the mass ratio and we obtain an analytic expression for this behavior. To exemplify our results, we consider mixtures of Lithium with either two Caesium or Rubium...

  12. Single-particle characterization of ice-nucleating particles and ice particle residuals sampled by three different techniques

    Science.gov (United States)

    Worringen, A.; Kandler, K.; Benker, N.; Dirsch, T.; Mertes, S.; Schenk, L.; Kästner, U.; Frank, F.; Nillius, B.; Bundke, U.; Rose, D.; Curtius, J.; Kupiszewski, P.; Weingartner, E.; Vochezer, P.; Schneider, J.; Schmidt, S.; Weinbruch, S.; Ebert, M.

    2015-04-01

    In the present work, three different techniques to separate ice-nucleating particles (INPs) as well as ice particle residuals (IPRs) from non-ice-active particles are compared. The Ice Selective Inlet (ISI) and the Ice Counterflow Virtual Impactor (Ice-CVI) sample ice particles from mixed-phase clouds and allow after evaporation in the instrument for the analysis of the residuals. The Fast Ice Nucleus Chamber (FINCH) coupled with the Ice Nuclei Pumped Counterflow Virtual Impactor (IN-PCVI) provides ice-activating conditions to aerosol particles and extracts the activated particles for analysis. The instruments were run during a joint field campaign which took place in January and February 2013 at the High Alpine Research Station Jungfraujoch (Switzerland). INPs and IPRs were analyzed offline by scanning electron microscopy and energy-dispersive X-ray microanalysis to determine their size, chemical composition and mixing state. Online analysis of the size and chemical composition of INP activated in FINCH was performed by laser ablation mass spectrometry. With all three INP/IPR separation techniques high abundances (median 20-70%) of instrumental contamination artifacts were observed (ISI: Si-O spheres, probably calibration aerosol; Ice-CVI: Al-O particles; FINCH + IN-PCVI: steel particles). After removal of the instrumental contamination particles, silicates, Ca-rich particles, carbonaceous material and metal oxides were the major INP/IPR particle types obtained by all three techniques. In addition, considerable amounts (median abundance mostly a few percent) of soluble material (e.g., sea salt, sulfates) were observed. As these soluble particles are often not expected to act as INP/IPR, we consider them as potential measurement artifacts. Minor types of INP/IPR include soot and Pb-bearing particles. The Pb-bearing particles are mainly present as an internal mixture with other particle types. Most samples showed a maximum of the INP/IPR size distribution at 200

  13. Direct uranium isotope ratio analysis of single micrometer-sized glass particles.

    Science.gov (United States)

    Kappel, Stefanie; Boulyga, Sergei F; Prohaska, Thomas

    2012-11-01

    We present the application of nanosecond laser ablation (LA) coupled to a 'Nu Plasma HR' multi collector inductively coupled plasma mass spectrometer (MC-ICP-MS) for the direct analysis of U isotope ratios in single, 10-20 μm-sized, U-doped glass particles. Method development included studies with respect to (1) external correction of the measured U isotope ratios in glass particles, (2) the applied laser ablation carrier gas (i.e. Ar versus He) and (3) the accurate determination of lower abundant (236)U/(238)U isotope ratios (i.e. 10(-5)). In addition, a data processing procedure was developed for evaluation of transient signals, which is of potential use for routine application of the developed method. We demonstrate that the developed method is reliable and well suited for determining U isotope ratios of individual particles. Analyses of twenty-eight S1 glass particles, measured under optimized conditions, yielded average biases of less than 0.6% from the certified values for (234)U/(238)U and (235)U/(238)U ratios. Experimental results obtained for (236)U/(238)U isotope ratios deviated by less than -2.5% from the certified values. Expanded relative total combined standard uncertainties U(c) (k = 2) of 2.6%, 1.4% and 5.8% were calculated for (234)U/(238)U, (235)U/(238)U and (236)U/(238)U, respectively. Copyright © 2012 Elsevier Ltd. All rights reserved.

  14. Effects of intraparticle heat and mass transfer during devolatilization of a single coal particle

    NARCIS (Netherlands)

    Bliek, A.; Poelje, W.M.; van Swaaij, Willibrordus Petrus Maria; van Beckum, F.P.H.

    1985-01-01

    The objective of the present work is to elucidate the influence of intraparticle mass and heat transfer phenomena on the overall rate and product yields during devolatilization of a single coal particle in an inert atmosphere. To this end a mathematical model has been formulated which covers

  15. Single particle analysis of TiO2 in candy products using triple quadrupole ICP-MS.

    Science.gov (United States)

    Candás-Zapico, S; Kutscher, D J; Montes-Bayón, M; Bettmer, J

    2018-04-01

    Titanium dioxide (TiO 2 ) belongs to the materials that have gained great importance in many applications. In its particulate form (micro- or nanoparticles), it has entered a huge number of consumer products and food-grade TiO 2 , better known as E171 within the European Union, represents an important food additive. Thus, there is an increasing need for analytical methods able to detect and quantify such particles. In this regard, inductively coupled-mass spectrometry (ICP-MS), in particular single particle ICP-MS (spICP-MS), has gained importance due to its simplicity and ease of use. Nevertheless, the number of applications for Ti nanoparticles is rather limited. In this study, we have applied the spICP-MS strategy by comparing different measuring modes available in triple quadrupole ICP-MS. First, single quadrupole mode using the collision/reaction cell system was selected for monitoring the isotope 47 Ti. Different cell gases like He, O 2 and NH 3 were tested under optimised conditions for its applicability in spICP-MS of standard suspensions of TiO 2 . The determined analytical figures of merit were compared to those obtained by triple quadrupole mode using the 47 Ti or 48 Ti reaction products using O 2 and NH 3 as reaction gases. This comparison demonstrated that the triple quadrupole mode (TQ mode) was superior in terms of sensitivity due to the more efficient removal of spectral interferences. Particle size detection limits down to 26nm were obtained using the best instrumental conditions for TiO 2 particles at a dwell time of 10ms. Finally, the different measuring modes were applied to the analysis of chewing gum samples after a simple extraction procedure using an ultrasonic bath. The obtained results showed a good agreement for the detected particle size range using the different TQ modes. The size range of TiO 2 particles was determined to be between approximately 30 and 200nm, whereas roughly 40% of the particles were smaller than 100nm. For the

  16. Detection and characterisation of aluminium-containing nanoparticles in Chinese noodles by single particle ICP-MS.

    Science.gov (United States)

    Loeschner, Katrin; Correia, Manuel; López Chaves, Carlos; Rokkjær, Inge; Sloth, Jens J

    2018-01-01

    This study investigated Chinese noodles for the presence of aluminium-containing nanoparticles by using inductively coupled plasma mass spectrometry in single particle mode (spICP-MS) after enzymatic digestion by α-amylase. The aluminium concentrations in the noodle samples, determined by conventional ICP-MS without or with the use of hydrofluoric acid for digestion, were 5.4 ± 1.9 µg/g and 10.1 ± 2.2 µg/g (N = 21), respectively. Aluminium-containing nanoparticles were detected by spICP-MS in all 21 samples. Depending on the assumed particle composition, Al 2 O 3 or Al 2 O 3 ∙2SiO 2 ∙2H 2 O, the median particle diameters were either below or above 100 nm, respectively. The minimum detectable particle diameter by spICP-MS was between 54 and 83 nm. The mass recovery of aluminium in the form of particles was between 5% and 18%. The presented work reports for the first time the detection of Al-containing particles in food by spICP-MS.

  17. On the electron vortex beam wavefunction within a crystal

    International Nuclear Information System (INIS)

    Mendis, B.G.

    2015-01-01

    Electron vortex beams are distorted by scattering within a crystal, so that the wavefunction can effectively be decomposed into many vortex components. Using a Bloch wave approach equations are derived for vortex beam decomposition at any given depth and with respect to any frame of reference. In the kinematic limit (small specimen thickness) scattering largely takes place at the neighbouring atom columns with a local phase change of π/2 rad. When viewed along the beam propagation direction only one vortex component is present at the specimen entrance surface (i.e. the ‘free space’ vortex in vacuum), but at larger depths the probe is in a mixed state due to Bragg scattering. Simulations show that there is no direct correlation between vortex components and the pendellösung, i.e. at a given depth probes with relatively constant can be in a more mixed state compared to those with more rapidly varying . This suggests that minimising oscillations in the pendellösung by probe channelling is not the only criterion for generating a strong electron energy loss magnetic circular dichroism (EMCD) signal. - Highlights: • Equations are derived for vortex decomposition due to scattering within a crystal. • There is no direct correlation between vortex decomposition and pendellösung. • Results are also discussed in the context of EMCD measurements

  18. Probing the Single-Particle Character of Rotational States in F 19 Using a Short-Lived Isomeric Beam

    Science.gov (United States)

    Santiago-Gonzalez, D.; Auranen, K.; Avila, M. L.; Ayangeakaa, A. D.; Back, B. B.; Bottoni, S.; Carpenter, M. P.; Chen, J.; Deibel, C. M.; Hood, A. A.; Hoffman, C. R.; Janssens, R. V. F.; Jiang, C. L.; Kay, B. P.; Kuvin, S. A.; Lauer, A.; Schiffer, J. P.; Sethi, J.; Talwar, R.; Wiedenhöver, I.; Winkelbauer, J.; Zhu, S.

    2018-03-01

    A beam containing a substantial component of both the Jπ=5+ , T1 /2=162 ns isomeric state of F 18 and its 1+, 109.77-min ground state is utilized to study members of the ground-state rotational band in F 19 through the neutron transfer reaction (d ,p ) in inverse kinematics. The resulting spectroscopic strengths confirm the single-particle nature of the 13 /2+ band-terminating state. The agreement between shell-model calculations using an interaction constructed within the s d shell, and our experimental results reinforces the idea of a single-particle-collective duality in the descriptions of the structure of atomic nuclei.

  19. Core polarization and 3/2 states of some f-p shell nuclei

    International Nuclear Information System (INIS)

    Shelly, S.

    1976-01-01

    The energies, wavefunctions, spectroscopic factors and M1 transition strengths have been calculated for the 3/2 - states excited via single proton transfer to 2p3/2 orbit of the target nuclei 50 Ti, 52 Cr, 54 Fe and 56 Fe. The calculations have been done by using the Kuo and Brown interaction in the entire four shell space as well as the shrunk Kuo and Brown interaction calculated in (1f7/2-2p3/2) space. The salient feature of the calculation is that whereas the systematics of single particle strength distribution are well reproduced, the energy splitting between the calculated T> centroid and the centroid of T> states is always much smaller than that observed experimentally. It has been found, however, that the modified KB interaction widens the energy gap between the T> centroid and the centroid of T> states without appreciably affecting the final wave-functions. (author)

  20. Anisotropic light emission of single CdSe/CdS tetrapods due to asymmetric electron localization

    Energy Technology Data Exchange (ETDEWEB)

    Limmer, Thomas; Mauser, Christian; Como, Enrico da; Rogach, Andrey; Feldmann, Jochen [Photonics and Optoelectronics Group, Physics Department and CeNS, Ludwig-Maximilians-Universitaet Muenchen, Munich (Germany); Talapin, Dmitri V. [Department of Chemistry, University of Chicago, Chicago, IL (United States)

    2008-07-01

    We have recently reported on highly luminescent CdSe/CdS tetrapod heterostructures, where wurtzite CdS arms were grown on CdSe zinc-blend nuclei. Due to the peculiar energy band alignment the holes remain trapped in the CdSe core, whereas electrons in ideal tetrapods are expected to delocalize symmetrically into the four CdS arms. However, polarization dependent photoluminescence experiments on single tetrapods show asymmetric localization effects for electrons. Whereas in optical excitation nearly no polarization anisotropy is observed, high polarization degrees are present in the emission process. Calculations based on the effective mass approximation show that the electron wavefunction confinement is very sensitive to changes in the shape of the tetrapods. Breaking the symmetry by increasing the thickness of one arm gives rise to a strongly asymmetric localization of the electron and leads to high polarization degrees in emission. The related decrease in electron-hole wavefunction overlap results in a correlation between emission intensity and polarization anisotropy in agreement with our experimental findings.

  1. Investigation of electrically-active deep levels in single-crystalline diamond by particle-induced charge transient spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kada, W., E-mail: kada.wataru@gunma-u.ac.jp [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Kambayashi, Y.; Ando, Y. [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Onoda, S. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Umezawa, H.; Mokuno, Y. [National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Shikata, S. [Kwansei Gakuin Univ., 2-1, Gakuen, Mita, Hyogo 669-1337 (Japan); Makino, T.; Koka, M. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Hanaizumi, O. [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Kamiya, T.; Ohshima, T. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan)

    2016-04-01

    To investigate electrically-active deep levels in high-resistivity single-crystalline diamond, particle-induced charge transient spectroscopy (QTS) techniques were performed using 5.5 MeV alpha particles and 9 MeV carbon focused microprobes. For unintentionally-doped (UID) chemical vapor deposition (CVD) diamond, deep levels with activation energies of 0.35 eV and 0.43 eV were detected which correspond to the activation energy of boron acceptors in diamond. The results suggested that alpha particle and heavy ion induced QTS techniques are the promising candidate for in-situ investigation of deep levels in high-resistivity semiconductors.

  2. The fabrication and single electron transport of Au nano-particles placed between Nb nanogap electrodes

    International Nuclear Information System (INIS)

    Nishino, T; Negishi, R; Ishibashi, K; Kawao, M; Nagata, T; Ozawa, H

    2010-01-01

    We have fabricated Nb nanogap electrodes using a combination of molecular lithography and electron beam lithography. Au nano-particles with anchor molecules were placed in the gap, the width of which could be controlled on a molecular scale (∼2 nm). Three different anchor molecules which connect the Au nano-particles and the electrodes were tested to investigate their contact resistance, and a local gate was fabricated underneath the Au nano-particles. The electrical transport measurements at liquid helium temperatures indicated single electron transistor (SET) characteristics with a charging energy of about ∼ 5 meV, and a clear indication of the effect of superconducting electrodes was not observed, possibly due to the large tunnel resistance.

  3. Fractal behavior of single-particle trajectories and isosets in isotropic and anisotropic fluids

    International Nuclear Information System (INIS)

    Kalia, R.K.; Vashishta, P.; de Leeuw, S.W.

    1985-08-01

    Molecular dynamics simulations for a variety of systems in 2 spatial dimensions reveal fractual behavior associated with trajectories and isosets of single particle motion. The fractual dimensions of trajectories and isosets are 2 and 0.5, respectively, irrespective of the nature of the interparticle interaction or thermodynamic state of the system. Recently, we have investigated the fractual behavior of diffusing Ag ions in the superionic phase of Ag 2 S. MD calculations have shown that the Ag ions diffuse anisotropically along certain directions in the lattice of S particles. Fractual dimensions D and anti D for Ag ions are again 2 and 0.5, respectively. These results confirm the universal nature of fractual dimensions of trails and isosets

  4. Size dependence of the wavefunction of self-assembled InAs quantum dots from time-resolved optical measurements

    DEFF Research Database (Denmark)

    Johansen, Jeppe; Stobbe, Søren; Nikolaev, Ivan S.

    2008-01-01

    and a theoretical model, we determine the striking dependence of the overlap of the electron and hole wavefunctions on the quantum dot size. We conclude that the optical quality is best for large quantum dots, which is important in order to optimally tailor quantum dot emitters for, e.g., quantum electrodynamics......The radiative and nonradiative decay rates of InAs quantum dots are measured by controlling the local density of optical states near an interface. From time-resolved measurements, we extract the oscillator strength and the quantum efficiency and their dependence on emission energy. From our results...

  5. Combination of Wavefunction and Density Functional Approximations for Describing Electronic Correlation

    Science.gov (United States)

    Garza, Alejandro J.

    Perhaps the most important approximations to the electronic structure problem in quantum chemistry are those based on coupled cluster and density functional theories. Coupled cluster theory has been called the ``gold standard'' of quantum chemistry due to the high accuracy that it achieves for weakly correlated systems. Kohn-Sham density functionals based on semilocal approximations are, without a doubt, the most widely used methods in chemistry and material science because of their high accuracy/cost ratio. The root of the success of coupled cluster and density functionals is their ability to efficiently describe the dynamic part of the electron correlation. However, both traditional coupled cluster and density functional approximations may fail catastrophically when substantial static correlation is present. This severely limits the applicability of these methods to a plethora of important chemical and physical problems such as, e.g., the description of bond breaking, transition states, transition metal-, lanthanide- and actinide-containing compounds, and superconductivity. In an attempt to tackle this problem, nonstandard (single-reference) coupled cluster-based techniques that aim to describe static correlation have been recently developed: pair coupled cluster doubles (pCCD) and singlet-paired coupled cluster doubles (CCD0). The ability to describe static correlation in pCCD and CCD0 comes, however, at the expense of important amounts of dynamic correlation so that the high accuracy of standard coupled cluster becomes unattainable. Thus, the reliable and efficient description of static and dynamic correlation in a simultaneous manner remains an open problem for quantum chemistry and many-body theory in general. In this thesis, different ways to combine pCCD and CCD0 with density functionals in order to describe static and dynamic correlation simultaneously (and efficiently) are explored. The combination of wavefunction and density functional methods has a long

  6. Noise bias in the refinement of structures derived from single particles

    International Nuclear Information System (INIS)

    Stewart, Alex; Grigorieff, Nikolaus

    2004-01-01

    One of the main goals in the determination of three-dimensional macromolecular structures from electron microscope images of individual molecules and complexes (single particles) is a sufficiently high spatial resolution, about 4 A, at which the interpretation with an atomic model becomes possible. To reach high resolution, an iterative refinement procedure using an expectation maximization algorithm is often used that leads to a more accurate alignment of the positional and orientational parameters for each particle. We show here the results of refinement algorithms that use a phase residual, a linear correlation coefficient, or a weighted correlation coefficient to align individual particles. The algorithms were applied to computer-generated data sets that contained projections from model structures, as well as noise. The algorithms show different degrees of over-fitting, especially at high resolution where the signal is weak. We demonstrate that the degree of over-fitting is reduced with a weighting scheme that depends on the signal-to-noise ratio in the data. The weighting also improves the accuracy of resolution measurement by the commonly used Fourier shell correlation. The performance of the refinement algorithms is compared to that using a maximum likelihood approach. The weighted correlation coefficient was implemented in the computer program FREALIGN

  7. Mobility and height detection of particle labels in an optical evanescent wave biosensor with single-label resolution

    Energy Technology Data Exchange (ETDEWEB)

    Van Ommering, Kim; Koets, Marjo; Schleipen, Jean J H B; Prins, Menno W J [Philips Research Laboratories, 5656 AE Eindhoven (Netherlands); Somers, Philip A; Van IJzendoorn, Leo J, E-mail: menno.prins@philips.co [Department of Applied Physics, Eindhoven University of Technology, 5600 MB Eindhoven (Netherlands)

    2010-04-21

    Particle labels are used in biosensors to detect the presence and concentration of analyte molecules. In this paper we demonstrate an optical technique to measure the mobility and height of bound particle labels on a biosensor surface with single-label resolution. The technique is based on the detection of the particle-induced light scattering in an optical evanescent field. We show that the thermal particle motion in the optical evanescent field leads to intensity fluctuations that can accurately be detected. The technique is demonstrated using 290 bp (99 nm) DNA as an analyte and using polystyrene particles and magnetic particles with diameters between 500 and 1000 nm as labels. The particle intensity histograms show that quantitative height measurements are obtained for particles with uniform optical properties, and the intensity versus position plots reflect the analyte-antibody orientation and the analyte flexibility. The novel optical detection technique will lead to biosensors with very high sensitivity and specificity.

  8. Single-particle characterization of ice-nucleating particles and ice particles residuals sampled by three different techniques

    Science.gov (United States)

    Kandler, Konrad; Worringen, Annette; Benker, Nathalie; Dirsch, Thomas; Mertes, Stephan; Schenk, Ludwig; Kästner, Udo; Frank, Fabian; Nillius, Björn; Bundke, Ulrich; Rose, Diana; Curtius, Joachim; Kupiszewski, Piotr; Weingartner, Ernest; Vochezer, Paul; Schneider, Johannes; Schmidt, Susan; Weinbruch, Stephan; Ebert, Martin

    2015-04-01

    During January/February 2013, at the High Alpine Research Station Jungfraujoch a measurement campaign was carried out, which was centered on atmospheric ice-nucleating particles (INP) and ice particle residuals (IPR). Three different techniques for separation of INP and IPR from the non-ice-active particles are compared. The Ice Selective Inlet (ISI) and the Ice Counterflow Virtual Impactor (Ice-CVI) sample ice particles from mixed phase clouds and allow for the analysis of the residuals. The combination of the Fast Ice Nucleus Chamber (FINCH) and the Ice Nuclei Pumped Counterflow Virtual Impactor (IN-PCVI) provides ice-activating conditions to aerosol particles and extracts the activated INP for analysis. Collected particles were analyzed by scanning electron microscopy and energy-dispersive X-ray microanalysis to determine size, chemical composition and mixing state. All INP/IPR-separating techniques had considerable abundances (median 20 - 70 %) of instrumental contamination artifacts (ISI: Si-O spheres, probably calibration aerosol; Ice-CVI: Al-O particles; FINCH+IN-PCVI: steel particles). Also, potential sampling artifacts (e.g., pure soluble material) occurred with a median abundance of separated by all three techniques. Soot was a minor contributor. Lead was detected in less than 10 % of the particles, of which the majority were internal mixtures with other particle types. Sea-salt and sulfates were identified by all three methods as INP/IPR. Most samples showed a maximum of the INP/IPR size distribution at 400 nm geometric diameter. In a few cases, a second super-micron maximum was identified. Soot/carbonaceous material and metal oxides were present mainly in the submicron range. ISI and FINCH yielded silicates and Ca-rich particles mainly with diameters above 1 µm, while the Ice-CVI also separated many submicron IPR. As strictly parallel sampling could not be performed, a part of the discrepancies between the different techniques may result from

  9. Classification using diffraction patterns for single-particle analysis

    International Nuclear Information System (INIS)

    Hu, Hongli; Zhang, Kaiming; Meng, Xing

    2016-01-01

    An alternative method has been assessed; diffraction patterns derived from the single particle data set were used to perform the first round of classification in creating the initial averages for proteins data with symmetrical morphology. The test protein set was a collection of Caenorhabditis elegans small heat shock protein 17 obtained by Cryo EM, which has a tetrahedral (12-fold) symmetry. It is demonstrated that the initial classification on diffraction patterns is workable as well as the real-space classification that is based on the phase contrast. The test results show that the information from diffraction patterns has the enough details to make the initial model faithful. The potential advantage using the alternative method is twofold, the ability to handle the sets with poor signal/noise or/and that break the symmetry properties. - Highlights: • New classification method. • Create the accurate initial model. • Better in handling noisy data.

  10. Classification using diffraction patterns for single-particle analysis

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Hongli; Zhang, Kaiming [Department of Biophysics, the Health Science Centre, Peking University, Beijing 100191 (China); Meng, Xing, E-mail: xmeng101@gmail.com [Wadsworth Centre, New York State Department of Health, Albany, New York 12201 (United States)

    2016-05-15

    An alternative method has been assessed; diffraction patterns derived from the single particle data set were used to perform the first round of classification in creating the initial averages for proteins data with symmetrical morphology. The test protein set was a collection of Caenorhabditis elegans small heat shock protein 17 obtained by Cryo EM, which has a tetrahedral (12-fold) symmetry. It is demonstrated that the initial classification on diffraction patterns is workable as well as the real-space classification that is based on the phase contrast. The test results show that the information from diffraction patterns has the enough details to make the initial model faithful. The potential advantage using the alternative method is twofold, the ability to handle the sets with poor signal/noise or/and that break the symmetry properties. - Highlights: • New classification method. • Create the accurate initial model. • Better in handling noisy data.

  11. Computational strong-field quantum dynamics. Intense light-matter interactions

    International Nuclear Information System (INIS)

    Bauer, Dieter

    2017-01-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  12. Computational strong-field quantum dynamics. Intense light-matter interactions

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Dieter (ed.) [Rostock Univ. (Germany). Inst. fuer Physik

    2017-09-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  13. Computational strong-field quantum dynamics intense light-matter interactions

    CERN Document Server

    2017-01-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time-dependent Schrödinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi-configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  14. 4-D single particle tracking of synthetic and proteinaceous microspheres reveals preferential movement of nuclear particles along chromatin - poor tracks.

    Science.gov (United States)

    Bacher, Christian P; Reichenzeller, Michaela; Athale, Chaitanya; Herrmann, Harald; Eils, Roland

    2004-11-23

    The dynamics of nuclear organization, nuclear bodies and RNPs in particular has been the focus of many studies. To understand their function, knowledge of their spatial nuclear position and temporal translocation is essential. Typically, such studies generate a wealth of data that require novel methods in image analysis and computational tools to quantitatively track particle movement on the background of moving cells and shape changing nuclei. We developed a novel 4-D image processing platform (TIKAL) for the work with laser scanning and wide field microscopes. TIKAL provides a registration software for correcting global movements and local deformations of cells as well as 2-D and 3-D tracking software. With this new tool, we studied the dynamics of two different types of nuclear particles, namely nuclear bodies made from GFP-NLS-vimentin and microinjected 0.1 mum - wide polystyrene beads, by live cell time-lapse microscopy combined with single particle tracking and mobility analysis. We now provide a tool for the automatic 3-D analysis of particle movement in parallel with the acquisition of chromatin density data. Kinetic analysis revealed 4 modes of movement: confined obstructed, normal diffusion and directed motion. Particle tracking on the background of stained chromatin revealed that particle movement is directly related to local reorganization of chromatin. Further a direct comparison of particle movement in the nucleoplasm and the cytoplasm exhibited an entirely different kinetic behaviour of vimentin particles in both compartments. The kinetics of nuclear particles were slightly affected by depletion of ATP and significantly disturbed by disruption of actin and microtubule networks. Moreover, the hydration state of the nucleus had a strong impact on the mobility of nuclear bodies since both normal diffusion and directed motion were entirely abolished when cells were challenged with 0.6 M sorbitol. This effect correlated with the compaction of chromatin

  15. Fluidized bed combustion of single coal char particles at high CO{sub 2} concentration

    Energy Technology Data Exchange (ETDEWEB)

    Scala, F.; Chirone, R. [CNR, Naples (Italy)

    2010-12-15

    Combustion of single coal char particles was studied at 850{sup o}C in a lab-scale fluidized bed at high CO{sub 2} concentration, typical of oxyfiring conditions. The burning rate of the particles was followed as a function of time by continuously measuring the outlet CO and O{sub 2} concentrations. Some preliminary evaluations on the significance of homogeneous CO oxidation in the reactor and of carbon gasification by CO{sub 2} in the char were also carried out. Results showed that the carbon burning rate increases with oxygen concentration and char particle size. The particle temperature is approximately equal to that of the bed up to an oxygen concentration of 2%, but it is considerably higher for larger oxygen concentrations. Both CO{sub 2} gasification of char and homogeneous CO oxidation are not negligible. The gasification reaction rate is slow and it is likely to be controlled by intrinsic kinetics. During purely gasification conditions the extent of carbon loss due to particle attrition by abrasion (estimated from the carbon mass balance) appears to be much more important than under combustion conditions.

  16. The Fate of a Normal Human Cell Traversed by a Single Charged Particle

    Science.gov (United States)

    Fournier, C.; Zahnreich, S.; Kraft, D.; Friedrich, T.; Voss, K.-O.; Durante, M.; Ritter, S.

    2012-01-01

    The long-term “fate” of normal human cells after single hits of charged particles is one of the oldest unsolved issues in radiation protection and cellular radiobiology. Using a high-precision heavy-ion microbeam we could target normal human fibroblasts with exactly one or five carbon ions and measured the early cytogenetic damage and the late behaviour using single-cell cloning. Around 70% of the first cycle cells presented visible aberrations in mFISH after a single ion traversal, and about 5% of the cells were still able to form colonies. In one third of selected high-proliferative colonies we observed clonal (radiation-induced) aberrations. Terminal differentiation and markers of senescence (PCNA, p16) in the descendants of cells traversed by one carbon ion occurred earlier than in controls, but no evidence of radiation-induced chromosomal instability was found. We conclude that cells surviving single-ion traversal, often carrying clonal chromosome aberrations, undergo accelerated senescence but maintain chromosomal stability. PMID:22966418

  17. Damping mechanisms of high-lying single-particle states in 91Nb

    International Nuclear Information System (INIS)

    Molen, H. K. T. van der; Berg, A. M. van den; Harakeh, M. N.; Hunyadi, M.; Kalantar-Nayestanaki, N.; Akimune, H.; Daito, I.; Fujimura, H.; Ihara, F.; Inomata, T.; Ishibashi, K.; Yoshida, H.; Yosoi, M.; Fujita, Y.; Fujiwara, M.; Jaenecke, J.; O'Donnell, T. W.; Laurent, H.; Lhenry, I.; Rodin, V. A.

    2007-01-01

    Decay by proton emission from high-lying states in 91 Nb, populated in the 90 Zr(α,t) reaction at E α =180 MeV, has been investigated. Decay to the ground state and semidirect decay to the low-lying (2 + ,5 - , and 3 - ) phonon states in 90 Zr were observed. It was found that these phonon states play an important role in the damping process of the single-particle states. An optical-model coupled-channel approach was used successfully to describe the direct and semidirect parts of the decay

  18. Enhancement of single particle rare earth doped NaYF4: Yb, Er emission with a gold shell

    International Nuclear Information System (INIS)

    Li, Ling; Green, Kory; Hallen, Hans; Lim, Shuang Fang

    2015-01-01

    Upconversion of infrared light to visible light has important implications for bioimaging. However, the small absorption cross-section of rare earth dopants has limited the efficiency of these anti-Stokes nanomaterials. We present enhanced excitation absorption and single particle fluorescent emission of sodium yttrium fluoride, NaYF 4 : Yb, Er based upconverting nanoparticles coated with a gold nanoshell through surface plasmon resonance. The single gold-shell coated nanoparticles show enhanced absorption in the near infrared, enhanced total emission intensity, and increased green relative to red emission. We also show differences in enhancement between single and aggregated gold shell nanoparticles. The surface plasmon resonance of the gold-shell coated nanoparticle is shown to be dependent on the shell thickness. In contrast to other reported results, our single particle experimental observations are corroborated by finite element calculations that show where the green/red emission enhancement occurs, and what portion of the enhancement is due to electromagnetic effects. We find that the excitation enhancement and green/red emission ratio enhancement occurs at the corners and edges of the doped emissive core. (paper)

  19. Interplay of tensor correlations and vibrational coupling for single-particle states in atomic nuclei

    International Nuclear Information System (INIS)

    Colo, G.; SAgawa, H.; Bortignon, P. F.

    2009-01-01

    To study the structure of atomic nuclei, the ab-initio methods can nowadays be applied only for mass number A smaller than ∼ 10-15. For heavier systems, the self-consistent mean-field (SCMF) approach is probably the most microscopic approach which can be systematically applied to stable and exotic nuclei. In practice, the SCMF is mostly based on parametrizations of an effective interaction. However, the are groups who are intensively working on the development of a general density functional (DF) which is not necessarily extracted from an Hamiltonian. The basic question is to what extent this allows improving on the existing functionals. In this contribution we analyze the performance of existing functionals as far as the reproduction of single-particle states is concerned. We start by analyzing the effect of the tensor terms, on which the attention of several groups have recently focused. Then we discuss the impact of the particle-vibration coupling (PVC). Although the basic idea of this approach dates back to long time ago, we present here for the first time calculations which are entirely based on microscopic interactions without dropping any term or introducing ad hoc parameters. We show results both for well-known, benchmark nuclei like 4 0C a and 2 08P b as well as unstable nuclei like 1 32S n. Both single-particle energies and spectroscopic factors are discussed.(author)

  20. Quantum entanglement of identical particles

    International Nuclear Information System (INIS)

    Shi Yu

    2003-01-01

    We consider entanglement in a system with a fixed number of identical particles. Since any operation should be symmetrized over all the identical particles and there is the precondition that the spatial wave functions overlap, the meaning of identical-particle entanglement is fundamentally different from that of distinguishable particles. The identical-particle counterpart of the Schmidt basis is shown to be the single-particle basis in which the one-particle reduced density matrix is diagonal. But it does not play a special role in the issue of entanglement, which depends on the single-particle basis chosen. The nonfactorization due to (anti)symmetrization is naturally excluded by using the (anti)symmetrized basis or, equivalently, the particle number representation. The natural degrees of freedom in quantifying the identical-particle entanglement in a chosen single-particle basis are occupation numbers of different single-particle basis states. The entanglement between effectively distinguishable spins is shown to be a special case of the occupation-number entanglement

  1. Vortex configuration and vortex-vortex interaction in nano-structured superconductors

    International Nuclear Information System (INIS)

    Kato, Masaru; Niwa, Yuhei; Suematsu, Hisataka; Ishida, Takekazu

    2012-01-01

    We study the vortex structures and quasi-particle structures in nano-structured superconductors. We used the Bogoliubov-de Gennes equation and the finite element method and obtained stable magnetic flux structures and the quasi-particle states. We found the vortex configurations are affected by the interference of the quasi-particle bound states around the vortices. In order to clarify the interference between the quasi-particle wave-functions around two vortices we have developed a numerical method using the elliptic coordinates and the Mathieu functions. We apply this method to two singly quantized vortex state in a conventional s-wave superconductor and a pair of half-quantum vortices in a chiral p-wave superconductor.

  2. Single particle analysis of eastern Mediterranean aerosol particles: Influence of the source region on the chemical composition

    Science.gov (United States)

    Clemen, Hans-Christian; Schneider, Johannes; Köllner, Franziska; Klimach, Thomas; Pikridas, Michael; Stavroulas, Iasonas; Sciare, Jean; Borrmann, Stephan

    2017-04-01

    The Mediterranean region is one of the most climatically sensitive areas and is influenced by air masses of different origin. Aerosol particles are one important factor contributing to the Earth's radiative forcing, but knowledge about their composition and sources is still limited. Here, we report on results from the INUIT-BACCHUS-ACTRIS campaign, which was conducted at the Cyprus Atmospheric Observatory (CAO, Agia Marina Xyliatou) in Cyprus in April 2016. Our results show that the chemical composition of the aerosol particles in the eastern Mediterranean is strongly dependent on their source region. The composition of particles in a size range between 150 nm and 3 μm was measured using the Aircraft-based Laser ABlation Aerosol MAss spectrometer (ALABAMA), which is a single particle laser ablation instrument using a bipolar time-of-flight mass spectrometer. The mass spectral information on cations and anions allow for the analysis of different molecular fragments. The information about the source regions results from backward trajectories using HYSPLIT Trajectory Model (Trajectory Ensemble) on hourly basis. To assess the influence of certain source regions on the air masses arriving at CAO, we consider the number of trajectories that crossed the respective source region within defined time steps. For a more detailed picture also the height and the velocity of the air masses during their overpass above the source regions will be considered. During the campaign at CAO in April 2016 three main air mass source regions were observed: 1) Northern Central Europe, likely with an enhanced anthropogenic influence (e.g. sulfate and black carbon from combustion processes, fly ash particles from power plants, characterized by Sr and Ba), 2) Southwest Europe, with a higher influence of the Mediterranean Sea including sea salt particles (characterized by, e.g., NaxCly, NaClxNOy), 3) Northern Africa/Sahara, with air masses that are expected to have a higher load of mineral dust

  3. Pulse laser induced change in thermal radiation from a single spherical particle on thermally bad conducting surface : an analytical solution

    International Nuclear Information System (INIS)

    Moksin, M.M.; Grozescu, V.I.; Yunus, W.M.M.; Azmi, B.Z.; Talib, Z.A.; Wahab, Z.A.

    1996-01-01

    A relatively simple analytical expression was derived that provided a description of the radius and thermal properties of a single particle from the change in grey body radiation emission subsequent to pulse laser heating of the particle

  4. Microphysical Properties of Single Secondary Organic Aerosol (SOA) Particles

    Science.gov (United States)

    Rovelli, Grazia; Song, Young-Chul; Pereira, Kelly; Hamilton, Jacqueline; Topping, David; Reid, Jonathan

    2017-04-01

    Secondary Organic Aerosols (SOA) deriving from the oxidation of volatile organic compounds (VOCs) can account for a substantial fraction of the overall atmospheric aerosol mass.[1] Therefore, the investigation of SOA microphysical properties is crucial to better comprehend their role in the atmospheric processes they are involved in. This works describes a single particle approach to accurately characterise the hygroscopic response, the optical properties and the gas-particle partitioning kinetics of water and semivolatile components for laboratory generated SOA. SOA was generated from the oxidation of different VOCs precursors (e.g. α-pinene, toluene) in a photo-chemical flow reactor, which consists of a temperature and relative humidity controlled 300 L polyvinyl fluoride bag. Known VOC, NOx and ozone concentrations are introduced in the chamber and UV irradiation is performed by means of a Hg pen-ray. SOA samples were collected with an electrical low pressure impactor, wrapped in aluminium foil and kept refrigerated at -20°C. SOA samples were extracted in a 1:1 water/methanol mixture. Single charged SOA particles were generated from the obtained solution using a microdispenser and confined within an electrodynamic balance (EDB), where they sit in a T (250-320 K) and RH (0-95%) controlled nitrogen flow. Suspended droplets are irradiated with a 532 nm laser and the evolving angularly resolved scattered light is used to keep track of changes in droplet size. One of the key features of this experimental approach is that very little SOA solution is required because of the small volumes needed to load the dispensers (evaporation kinetics experiments (CK-EDB) of suspended probe and sample droplets.[2] The variation of the refractive index of SOA droplets following to water or SVOCs evaporative loss was measured as a function of water activity by fitting the collected light scattering patterns with a generated Mie-Theory library of phase functions.[3] Long trapping

  5. Three-dimensional simulation of the motion of a single particle under a simulated turbulent velocity field

    Science.gov (United States)

    Moreno-Casas, P. A.; Bombardelli, F. A.

    2015-12-01

    A 3D Lagrangian particle tracking model is coupled to a 3D channel velocity field to simulate the saltation motion of a single sediment particle moving in saltation mode. The turbulent field is a high-resolution three dimensional velocity field that reproduces a by-pass transition to turbulence on a flat plate due to free-stream turbulence passing above de plate. In order to reduce computational costs, a decoupled approached is used, i.e., the turbulent flow is simulated independently from the tracking model, and then used to feed the 3D Lagrangian particle model. The simulations are carried using the point-particle approach. The particle tracking model contains three sub-models, namely, particle free-flight, a post-collision velocity and bed representation sub-models. The free-flight sub-model considers the action of the following forces: submerged weight, non-linear drag, lift, virtual mass, Magnus and Basset forces. The model also includes the effect of particle angular velocity. The post-collision velocities are obtained by applying conservation of angular and linear momentum. The complete model was validated with experimental results from literature within the sand range. Results for particle velocity time series and distribution of particle turbulent intensities are presented.

  6. Single particle tracking reveals spatial and dynamic organization of the Escherichia coli biofilm matrix

    International Nuclear Information System (INIS)

    Birjiniuk, Alona; Doyle, Patrick S; Billings, Nicole; Ribbeck, Katharina; Nance, Elizabeth; Hanes, Justin

    2014-01-01

    Biofilms are communities of surface-adherent bacteria surrounded by secreted polymers known as the extracellular polymeric substance. Biofilms are harmful in many industries, and thus it is of great interest to understand their mechanical properties and structure to determine ways to destabilize them. By performing single particle tracking with beads of varying surface functionalization it was found that charge interactions play a key role in mediating mobility within biofilms. With a combination of single particle tracking and microrheological concepts, it was found that Escherichia coli biofilms display height dependent charge density that evolves over time. Statistical analyses of bead trajectories and confocal microscopy showed inter-connecting micron scale channels that penetrate throughout the biofilm, which may be important for nutrient transfer through the system. This methodology provides significant insight into a particular biofilm system and can be applied to many others to provide comparisons of biofilm structure. The elucidation of structure provides evidence for the permeability of biofilms to microscale objects, and the ability of a biofilm to mature and change properties over time. (paper)

  7. Single Particle Linear and Nonlinear Dynamics

    International Nuclear Information System (INIS)

    Cai, Y

    2004-01-01

    I will give a comprehensive review of existing particle tracking tools to assess long-term particle stability for small and large accelerators in the presence of realistic magnetic imperfections and machine misalignments. The emphasis will be on the tracking and analysis tools based upon the differential algebra, Lie operator, and ''polymorphism''. Using these tools, a uniform linear and non-linear analysis will be outlined as an application of the normal form

  8. Spectroscopy of low-lying single-particle states in $^{81}$Zn populated in the $^{80}$Zn(d,p) reaction

    CERN Multimedia

    The aim of this proposal is the study of single-particle states of $^{81}$Zn via the $^{80}$Zn(d,p) reaction in inverse kinematics. $^{81}$Zn will be produced by means of a laser-ionized, 5.5 MeV/u HIE-Isolde $^{80}$Zn beam impinging on a deuterated-polyethylene target. The protons and $\\gamma$-rays emitted in the reaction will be studied using the Miniball + T-REX setup. This experiment will constitute the first spectroscopic study of $^{81}$Zn, which is critically important to determine the energy and ordering of neutron single-particle orbits above the N=50 gap and the properties of $^{78}$Ni.

  9. Microscopic calculations of λ single particle energies

    International Nuclear Information System (INIS)

    Usmani, Q. N.

    1998-01-01

    Λ binding energy data for total baryon number A ≤ 208 and for Λ angular momenta ell Λ ≤ 3 are analyzed in terms of phenomenological (but generally consistent with meson-exchange) ΛN and ΛNN potentials. The Fermi-Hypernetted-Chain technique is used to calculate the expectation values for the Λ binding to nuclear matter. Accurate effective ΛN and ΛNN potentials are obtained which are folded with the core nucleus nucleon densities to calculate the Λ single particle potential U Λ (r). We use a dispersive ΛNN potential but also include an explicit ρ dependence to allow for reduced repulsion in the surface, and the best fits have a large ρ dependence giving consistency with the variational Monte Carlo calculations for Λ 5 He. The exchange fraction of the ΛN space-exchange potential is found to be 0.2-0.3 corresponding to m Λ * ≅ (0.74-0.82)m Λ . Charge symmetry breaking is found to be significant for heavy hypernuclei with a large neutron excess, with a strength consistent with that obtained from the A = 4 hypernuclei

  10. A different approach to obtain Mayer’s extension to stationary single particle Wigner distribution

    International Nuclear Information System (INIS)

    Bose, Anirban; Janaki, M. S.

    2012-01-01

    It is shown that the stationary collisionless single-particle Wigner equation in one dimension containing quantum corrections at the lowest order is satisfied by a distribution function that is similar in form to the Maxwellian distribution with an effective mass and a generalized potential. The distribution is used to study quantum corrections to electron hole solutions.

  11. Single particle Schroedinger fluid and moments of inertia of deformed nuclei

    International Nuclear Information System (INIS)

    Doma, S.B.

    2002-01-01

    The authors have applied the theory of the single-particle Schroedinger fluid to the nuclear collective motion of axially deformed nuclei. A counter example of an arbitrary number of independent nucleons in the anisotropic harmonic oscillator potential at the equilibrium deformation has been also given. Moreover, the ground states of the doubly even nuclei in the s-d shell 20 Ne, 24 Mg, 28 Si, 32 S and 36 Ar are constructed by filling the single-particle states corresponding to the possible values of the number of quanta of excitations n x , n y and n z . Accordingly, the cranking-model, the rigid-body model and the equilibrium-model moments of inertia of these nuclei are calculated as functions of the oscillator parameters ℎω x , ℎω y and ℎω z which are given in terms of the non deformed value ℎω 0 0 , depending on the mass number A, the number of neutrons N, the number of protons Z, and the deformation parameter β. The calculated values of the cranking-model moments of inertia of these nuclei are in good agreement with the corresponding experiential values and show that the considered axially deformed nuclei may have oblate as well as prolate shapes and that the nucleus 24 Mg is the only one which is highly deformed. The rigid-body model and the equilibrium-model moments of inertia of the two nuclei 20 Ne and 24 Mg are also in good agreement with the corresponding experimental values

  12. Single Particle Linear and Nonlinear Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Y

    2004-06-25

    I will give a comprehensive review of existing particle tracking tools to assess long-term particle stability for small and large accelerators in the presence of realistic magnetic imperfections and machine misalignments. The emphasis will be on the tracking and analysis tools based upon the differential algebra, Lie operator, and ''polymorphism''. Using these tools, a uniform linear and non-linear analysis will be outlined as an application of the normal form.

  13. Development of a high throughput single-particle screening for inorganic semiconductor nanorods as neural voltage sensor

    Science.gov (United States)

    Kuo, Yung; Park, Kyoungwon; Li, Jack; Ingargiola, Antonino; Park, Joonhyuck; Shvadchak, Volodymyr; Weiss, Shimon

    2017-08-01

    Monitoring membrane potential in neurons requires sensors with minimal invasiveness, high spatial and temporal (sub-ms) resolution, and large sensitivity for enabling detection of sub-threshold activities. While organic dyes and fluorescent proteins have been developed to possess voltage-sensing properties, photobleaching, cytotoxicity, low sensitivity, and low spatial resolution have obstructed further studies. Semiconductor nanoparticles (NPs), as prospective voltage sensors, have shown excellent sensitivity based on Quantum confined Stark effect (QCSE) at room temperature and at single particle level. Both theory and experiment have shown their voltage sensitivity can be increased significantly via material, bandgap, and structural engineering. Based on theoretical calculations, we synthesized one of the optimal candidates for voltage sensors: 12 nm type-II ZnSe/CdS nanorods (NRs), with an asymmetrically located seed. The voltage sensitivity and spectral shift were characterized in vitro using spectrally-resolved microscopy using electrodes grown by thin film deposition, which "sandwich" the NRs. We characterized multiple batches of such NRs and iteratively modified the synthesis to achieve higher voltage sensitivity (ΔF/F> 10%), larger spectral shift (>5 nm), better homogeneity, and better colloidal stability. Using a high throughput screening method, we were able to compare the voltage sensitivity of our NRs with commercial spherical quantum dots (QDs) with single particle statistics. Our method of high throughput screening with spectrally-resolved microscope also provides a versatile tool for studying single particles spectroscopy under field modulation.

  14. Velocity of a single gas plug rising through a particle-gas-liquid three-phase flow (In the case that particles updrift in a stagnant liquid column)

    International Nuclear Information System (INIS)

    Koizumi, Yasuo; Shimada, Jun; Ohtake, Hiroyasu

    1999-01-01

    The velocity of a single air plug rising through a stagnant water column in a pipe with updrifting particles has been examined at atmospheric pressure and room temperature. The particles used were polymer balls with a diameter of 3.18 mm and a density of 0.835 x 10 -3 kg/m 3 . The water velocity in a film around the plug and a wake region behind the plug was measured by a laser Doppler velocimeter. The thickness of the film was also measured with a dye-fluoresce-method by a laser ray. When the updrifting particles were introduced, the rising velocity of the plug became fast a little. However, the velocity was considerably slower than that in the falling particle case and independent on the particle introduction rate. The film around the plug was thicker a little than that in the no particle case, however considerably thinner than that in the falling particle case. The water velocity in the film around the plug was slower a little than that in the no particle case, and not dependent on the particle introduction rate contrary to that in the falling particle case. The vortex size behind the plug was almost the same as that in the no particle case although the vortex region was spread downward in the falling particle case. (author)

  15. Study of single particle properties of nuclei in the region of the "island of inversion" by means of neutron-transfer reactions

    CERN Multimedia

    Kruecken, R; Voulot, D

    2007-01-01

    We are aiming at the investigation of single particle properties of neutron-rich nuclei in the region of the "island of inversion" where intruder states from the $\\{fp}$-shell favour deformed ground states instead of the normal spherical $\\textit{sd}$-shell states. As first experiment, we propose to study single particle states in the neutron-rich isotope $^{31}$Mg. The nucleus will be populated by a one-neutron transfer reaction with a $^{30}$Mg beam at 3 MeV/u obtained from REX-ISOLDE impinging on a CD$_{2}$ target. The $\\gamma$-rays will be detected by the MINIBALL array and the particles by a newly built set-up of segmented Si detectors with a angular coverage of nearly 4$\\pi$. Relative spectroscopic factors extracted from the cross sections will enable us to pin down the configurations of the populated states. These will be compared to recent shell model calculations involving new residual interactions. This will shed new light on the evolution of single particle structure leading to the breaking of the ...

  16. Raman mapping of mannitol/lysozyme particles produced via spray drying and single droplet drying.

    Science.gov (United States)

    Pajander, Jari Pekka; Matero, Sanni; Sloth, Jakob; Wan, Feng; Rantanen, Jukka; Yang, Mingshi

    2015-06-01

    This study aimed to investigate the effect of a model protein on the solid state of a commonly used bulk agent in spray-dried formulations. A series of lysozyme/mannitol formulations were spray-dried using a lab-scale spray dryer. Further, the surface temperature of drying droplet/particles was monitored using the DRYING KINETICS ANALYZER™ (DKA) with controllable drying conditions mimicking the spray-drying process to estimate the drying kinetics of the lysozyme/mannitol formulations. The mannitol polymorphism and the spatial distribution of lysozyme in the particles were examined using X-ray powder diffractometry (XRPD) and Raman microscopy. Partial Least Squares Discriminant Analysis was used for analyzing the Raman microscopy data. XRPD results indicated that a mixture of β-mannitol and α-mannitol was produced in the spray-drying process which was supported by the Raman analysis, whereas Raman analysis indicated that a mixture of α-mannitol and δ-mannitol was detected in the single particles from DKA. In addition Raman mapping indicated that the presence of lysozyme seemed to favor the appearance of α-mannitol in the particles from DKA evidenced by close proximity of lysozyme and mannitol in the particles. It suggested that the presence of lysozyme tend to induce metastable solid state forms upon the drying process.

  17. Antisymmetrized four-body wave function and coexistence of single particle and cluster structures

    International Nuclear Information System (INIS)

    Sasakawa, T.

    1979-01-01

    It is shown that each Yakubovski component of the totally antisymmetric four-body wave function satisfies the same equation as the unantisymmetric wave function. In the antisymmetric total wave function, the wave functions belonging to the same kind of partition are totally antisymmetric among themselves. This leads to the coexistence of cluster models, including the single particle model as a special case of the cluster model, as a sum

  18. Binding energy and single-particle energies in the 16O Region

    International Nuclear Information System (INIS)

    Fiase, J.O.; Sharma, L.K.

    2004-01-01

    In this paper we present the binding energy of 16 O together with single-particle energies in the oxygen region by folding together a Hamiltonian in the rest-frame of the nucleus with two-body correlation functions based on the Nijmegen potential. We have found that the binding energies are very sensitive to the core radius rc and that the effects of tensor correlations are non-negligible.Our calculated binding energy, E B = - 127.8 MeV with r c = 0.241 fm compares well with the experimental binding energy, E B = - 127.6 MeV

  19. 4-D single particle tracking of synthetic and proteinaceous microspheres reveals preferential movement of nuclear particles along chromatin – poor tracks

    Directory of Open Access Journals (Sweden)

    Athale Chaitanya

    2004-11-01

    Full Text Available Abstract Background The dynamics of nuclear organization, nuclear bodies and RNPs in particular has been the focus of many studies. To understand their function, knowledge of their spatial nuclear position and temporal translocation is essential. Typically, such studies generate a wealth of data that require novel methods in image analysis and computational tools to quantitatively track particle movement on the background of moving cells and shape changing nuclei. Results We developed a novel 4-D image processing platform (TIKAL for the work with laser scanning and wide field microscopes. TIKAL provides a registration software for correcting global movements and local deformations of cells as well as 2-D and 3-D tracking software. With this new tool, we studied the dynamics of two different types of nuclear particles, namely nuclear bodies made from GFP-NLS-vimentin and microinjected 0.1 μm – wide polystyrene beads, by live cell time-lapse microscopy combined with single particle tracking and mobility analysis. We now provide a tool for the automatic 3-D analysis of particle movement in parallel with the acquisition of chromatin density data. Conclusions Kinetic analysis revealed 4 modes of movement: confined obstructed, normal diffusion and directed motion. Particle tracking on the background of stained chromatin revealed that particle movement is directly related to local reorganization of chromatin. Further a direct comparison of particle movement in the nucleoplasm and the cytoplasm exhibited an entirely different kinetic behaviour of vimentin particles in both compartments. The kinetics of nuclear particles were slightly affected by depletion of ATP and significantly disturbed by disruption of actin and microtubule networks. Moreover, the hydration state of the nucleus had a strong impact on the mobility of nuclear bodies since both normal diffusion and directed motion were entirely abolished when cells were challenged with 0.6 M

  20. 4-D single particle tracking of synthetic and proteinaceous microspheres reveals preferential movement of nuclear particles along chromatin – poor tracks

    Science.gov (United States)

    Bacher, Christian P; Reichenzeller, Michaela; Athale, Chaitanya; Herrmann, Harald; Eils, Roland

    2004-01-01

    Background The dynamics of nuclear organization, nuclear bodies and RNPs in particular has been the focus of many studies. To understand their function, knowledge of their spatial nuclear position and temporal translocation is essential. Typically, such studies generate a wealth of data that require novel methods in image analysis and computational tools to quantitatively track particle movement on the background of moving cells and shape changing nuclei. Results We developed a novel 4-D image processing platform (TIKAL) for the work with laser scanning and wide field microscopes. TIKAL provides a registration software for correcting global movements and local deformations of cells as well as 2-D and 3-D tracking software. With this new tool, we studied the dynamics of two different types of nuclear particles, namely nuclear bodies made from GFP-NLS-vimentin and microinjected 0.1 μm – wide polystyrene beads, by live cell time-lapse microscopy combined with single particle tracking and mobility analysis. We now provide a tool for the automatic 3-D analysis of particle movement in parallel with the acquisition of chromatin density data. Conclusions Kinetic analysis revealed 4 modes of movement: confined obstructed, normal diffusion and directed motion. Particle tracking on the background of stained chromatin revealed that particle movement is directly related to local reorganization of chromatin. Further a direct comparison of particle movement in the nucleoplasm and the cytoplasm exhibited an entirely different kinetic behaviour of vimentin particles in both compartments. The kinetics of nuclear particles were slightly affected by depletion of ATP and significantly disturbed by disruption of actin and microtubule networks. Moreover, the hydration state of the nucleus had a strong impact on the mobility of nuclear bodies since both normal diffusion and directed motion were entirely abolished when cells were challenged with 0.6 M sorbitol. This effect correlated

  1. Stochastic heating of a single Brownian particle by charge fluctuations in a radio-frequency produced plasma sheath

    Science.gov (United States)

    Schmidt, Christian; Piel, Alexander

    2015-10-01

    The Brownian motion of a single particle in the plasma sheath is studied to separate the effect of stochastic heating by charge fluctuations from heating by collective effects. By measuring the particle velocities in the ballistic regime and by carefully determining the particle mass from the Epstein drag it is shown that for a pressure of 10 Pa, which is typical of many experiments, the proper kinetic temperature of the Brownian particle remains close to the gas temperature and rises only slightly with particle size. This weak effect is confirmed by a detailed model for charging and charge fluctuations in the sheath. A substantial temperature rise is found for decreasing pressure, which approximately shows the expected scaling with p-2. The system under study is an example for non-equilibrium Brownian motion under the influence of white noise without corresponding dissipation.

  2. Pseudo SU(3) shell model: Normal parity bands in odd-mass nuclei

    International Nuclear Information System (INIS)

    Vargas, C.E.; Hirsch, J.G.; Draayer, J.P.

    2000-01-01

    A pseudo shell SU(3) model description of normal parity bands in 159 Tb is presented. The Hamiltonian includes spherical Nilsson single-particle energies, the quadrupole-quadrupole and pairing interactions, as well as three rotor terms. A systematic parametrization is introduced, accompanied by a detailed discussion of the effect each term in the Hamiltonian has on the energy spectrum. Yrast and excited band wavefunctions are analyzed together with their B(E2) values

  3. Development of elemental technique for single particle irradiation system to cell

    International Nuclear Information System (INIS)

    Yukawa, Masae; Yasuda, Nakahiro; Matsumoto, Kenichi

    2004-01-01

    A single-ion microbeam facility (SPICE: Single Particle Irradiation system to Cell) are constructing at National Institute of Radiological Sciences (NIRS). The system was design to deliver the defined number of helium or hydrogen ions into an area smaller than the nuclei of cells in culture on thin films. The beam will be focused into 2μmθ (in diameter) by triplet-Q magnet. We have established the monitoring system using thin plastic scintillator, IIT and charge-coupled device (CCD) camera to measure the size and position of microbeam. The monitoring system for microbeam has been evaluated in the middle energy course using 4.3 MeV protons. We have designed and made two new type collimators to get the microbeam, and have evaluated its scattering effect. We have confirmed that the collimated beam spot (100 ions/sec) was observed in CCD image as small light spot. This system is now installed into SPICE apparatus. (authors)

  4. Investigation of the single Particle Structure of the neutron-rich Sodium Isotopes $^{27-31}\\!$Na

    CERN Document Server

    2002-01-01

    We propose to study the single particle structure of the neutron-rich isotopes $^{27-31}\\!$Na. These isotopes will be investigated via neutron pickup reactions in inverse kinematics on a deuterium and a beryllium target. Scattered beam particles and transfer products are detected in a position sensitive detector located around 0$^\\circ$. De-excitation $\\gamma$-rays emitted after an excited state has been populated will be registered by the MINIBALL Germanium array. The results will shed new light on the structure of the neutron-rich sodium isotopes and especially on the region of strong deformation around the N=20 nucleus $^{31}\\!$Na.

  5. Effect of two-step aging on spatial distribution of γ-phase particles and mechanical properties of Ni-14at.% Al single crystals

    International Nuclear Information System (INIS)

    Tyapkin, Yu.D.; Travina, N.T.; Ugarova, E.V.

    1977-01-01

    Electron microscope images were processed by statistical methods to investigate the space distribution of particles of the γ'-phase (formation of ''quasiperiodic micro-lattices'') after various conditions of single- and double-stage aging of the Ni-14 at.% Al alloy. Mechanical properties in uniaxial tension of single crystals were studied. Parameters of the space distribution of particles have been correlated with the mechanical properties

  6. A comparison of single particle tracking and temporal image correlation spectroscopy for quantitative analysis of endosome motility

    DEFF Research Database (Denmark)

    Lund, F. W.; Wustner, D.

    2013-01-01

    Single particle tracking (SPT) is becoming a standard method to extract transport parameters from time-lapse image sequences of fluorescent vesicles in living cells. Another method to obtain these data is temporal image correlation spectroscopy (TICS), but this method is less often used for measu......Single particle tracking (SPT) is becoming a standard method to extract transport parameters from time-lapse image sequences of fluorescent vesicles in living cells. Another method to obtain these data is temporal image correlation spectroscopy (TICS), but this method is less often used...... for measurement of intracellular vesicle transport. Here, we present an extensive comparison of SPT and TICS. First we examine the effect of photobleaching, shading and noise on SPT and TICS analysis using simulated image sequences. To this end, we developed a simple photophysical model, which relates spatially...... varying illumination intensity to the bleaching propensity and fluorescence intensity of the moving particles. We found that neither SPT nor TICS are affected by photobleaching per se, but the transport parameters obtained by both methods are sensitive to the signal-to-noise ratio. In addition, the number...

  7. Massively parallel unsupervised single-particle cryo-EM data clustering via statistical manifold learning.

    Directory of Open Access Journals (Sweden)

    Jiayi Wu

    Full Text Available Structural heterogeneity in single-particle cryo-electron microscopy (cryo-EM data represents a major challenge for high-resolution structure determination. Unsupervised classification may serve as the first step in the assessment of structural heterogeneity. However, traditional algorithms for unsupervised classification, such as K-means clustering and maximum likelihood optimization, may classify images into wrong classes with decreasing signal-to-noise-ratio (SNR in the image data, yet demand increased computational costs. Overcoming these limitations requires further development of clustering algorithms for high-performance cryo-EM data processing. Here we introduce an unsupervised single-particle clustering algorithm derived from a statistical manifold learning framework called generative topographic mapping (GTM. We show that unsupervised GTM clustering improves classification accuracy by about 40% in the absence of input references for data with lower SNRs. Applications to several experimental datasets suggest that our algorithm can detect subtle structural differences among classes via a hierarchical clustering strategy. After code optimization over a high-performance computing (HPC environment, our software implementation was able to generate thousands of reference-free class averages within hours in a massively parallel fashion, which allows a significant improvement on ab initio 3D reconstruction and assists in the computational purification of homogeneous datasets for high-resolution visualization.

  8. Massively parallel unsupervised single-particle cryo-EM data clustering via statistical manifold learning.

    Science.gov (United States)

    Wu, Jiayi; Ma, Yong-Bei; Congdon, Charles; Brett, Bevin; Chen, Shuobing; Xu, Yaofang; Ouyang, Qi; Mao, Youdong

    2017-01-01

    Structural heterogeneity in single-particle cryo-electron microscopy (cryo-EM) data represents a major challenge for high-resolution structure determination. Unsupervised classification may serve as the first step in the assessment of structural heterogeneity. However, traditional algorithms for unsupervised classification, such as K-means clustering and maximum likelihood optimization, may classify images into wrong classes with decreasing signal-to-noise-ratio (SNR) in the image data, yet demand increased computational costs. Overcoming these limitations requires further development of clustering algorithms for high-performance cryo-EM data processing. Here we introduce an unsupervised single-particle clustering algorithm derived from a statistical manifold learning framework called generative topographic mapping (GTM). We show that unsupervised GTM clustering improves classification accuracy by about 40% in the absence of input references for data with lower SNRs. Applications to several experimental datasets suggest that our algorithm can detect subtle structural differences among classes via a hierarchical clustering strategy. After code optimization over a high-performance computing (HPC) environment, our software implementation was able to generate thousands of reference-free class averages within hours in a massively parallel fashion, which allows a significant improvement on ab initio 3D reconstruction and assists in the computational purification of homogeneous datasets for high-resolution visualization.

  9. Distinct solutions of infinite U Hubbard model through nested Bethe ansatz and Gutzwiller projection operator approach

    International Nuclear Information System (INIS)

    Mishra, A.K.; Kishore, R.

    2009-01-01

    The exact nested Bethe ansatz solution for the one dimensional (1-D) U infinity Hubbard model show that the state vectors are a product of spin-less fermion and spin wavefunctions, or an appropriate superposition of such factorized wavefunctions. The spin-less fermion component of the wavefunctions ensures no double occupancy at any site. It had been demonstrated that the nested Bethe ansatz wavefunctions in the U infinity limit obey orthofermi statistics. Gutzwiller projection operator formalism is the another well known technique employed to handle U infinity Hubbard model. In general, this approach does not lead to spin-less fermion wavefunctions. Therefore, the nested Bethe ansatz and Gutzwiller projection operator approach give rise to different kinds of the wavefunctions for the U infinity limit of 1-D Hubbard Hamiltonian. To compare the consequences of this dissimilarity in the wavefunctions, we have obtained the ground state energy of a finite system consisting of three particles on a four site closed chain. It is shown that in the nested Bethe ansatz implemented through orthofermion algebra, all the permissible 2 3 spin configurations are degenerate in the ground state. This eight fold degeneracy of the ground state is absent in the Gutzwiller projection operator approach. This finding becomes relevant in the context of known exact U infinity results, which require that all the energy levels are 2 N -fold degenerate for an N particle system.

  10. Two-Step Single Particle Mass Spectrometry for On-Line Monitoring of Polycyclic Aromatic Hydrocarbons Bound to Ambient Fine Particulate Matter

    Science.gov (United States)

    Zimmermann, R.; Bente, M.; Sklorz, M.

    2007-12-01

    Polycyclic aromatic hydrocarbons (PAH) are formed as trace products in combustion processes and are emitted to the atmosphere. Larger PAH have low vapour pressure and are predominantly bound to the ambient fine particulate matter (PM). Upon inhalation, PAH show both, chronic human toxicity (i.e. many PAH are potent carcinogens) as well as acute human toxicity (i.e. inflammatory effects due to oxi-dative stress) and are discussed to be relevant for the observed health effect of ambient PM. Therefore a better understanding of the occurrence, dynamics and particle size dependence of particle bound-PAH is of great interest. On-line aerosol mass spectrometry in principle is the method of choice to investigate the size resolved changes in the chemical speciation of particles as well the status of internal vs. external mixing of chemical constituents. However the present available aerosol mass spectrometers (ATOFMS and AMS) do not allow detection of PAH from ambient air PM. In order to allow a single particle based monitoring of PAH from ambient PM a new single particle laser ionisation mass spectrometer was built and applied. The system is based on ATOFMS principle but uses a two- step photo-ionization. A tracked and sized particle firstly is laser desorbed (LD) by a IR-laser pulse (CO2-laser, λ=10.2 μm) and subsequently the released PAH are selectively ionized by an intense UV-laser pulse (ArF excimer, λ=248 nm) in a resonance enhanced multiphoton ionisation process (REMPI). The PAH-ions are detected in a time of flight mass spectrometer (TOFMS). A virtual impactor enrichment unit is used to increase the detection frequency of the ambient particles. With the current inlet system particles from about 400 nm to 10 μm are accessible. Single particle based temporal profiles of PAH containing particles ion (size distribution and PAH speciation) have been recorded in Oberschleissheim, Germany from ambient air. Furthermore profiles of relevant emission sources (e

  11. Micro-particle manipulation by single beam acoustic tweezers based on hydrothermal PZT thick film.

    Science.gov (United States)

    Zhu, Benpeng; Xu, Jiong; Li, Ying; Wang, Tian; Xiong, Ke; Lee, Changyang; Yang, Xiaofei; Shiiba, Michihisa; Takeuchi, Shinichi; Zhou, Qifa; Shung, K Kirk

    2016-03-01

    Single-beam acoustic tweezers (SBAT), used in laboratory-on-a-chip (LOC) device has promising implications for an individual micro-particle contactless manipulation. In this study, a freestanding hydrothermal PZT thick film with excellent piezoelectric property (d 33 = 270pC/N and k t = 0.51) was employed for SBAT applications and a press-focusing technology was introduced. The obtained SBAT, acting at an operational frequency of 50MHz, a low f-number (∼0.9), demonstrated the capability to trap and manipulate a micro-particle sized 10μm in the distilled water. These results suggest that such a device has great potential as a manipulator for a wide range of biomedical and chemical science applications.

  12. Synthesis of Monodispersed Spherical Single Crystalline Silver Particles by Wet Chemical Process; Shisshiki kagakuho ni yoru tanbunsankyujo tankesshoginryushi no gose

    Energy Technology Data Exchange (ETDEWEB)

    Ueyama, Ryousuke.; Harada, Masahiro.; Ueyama, Tamotsu.; Harada, Akio. [Daiken Chemistry Industry Corporation, Osaka (Japan); Yamamoto, Takashi. [National Defence Academy, Kanagawa (Japan). Dept. of Electrical Engineering; Shiosaki, Tadashi. [Nara Institute of Science and Technology, Nara (Japan). Graduate School of Materials Science; Kuribayashi, Kiyoshi. [Teikyo University of Science and Technology, Yamanashi (Japan). Dept. of Materials

    1999-01-01

    Ultrafine silver monodispersed particle were prepared by wet chemical process. To decrease the reduction speed, an important factor in generating monodispersed particles is to control the following three factors: synthesis temperature, concentration of aggregation-relaxing agent added, and concentration of silver nitrate solution. Synthesis of monodispersed spherical Ag particles, used as metal powders for electrode, became possible using the nucleus grouwth reaction method. This process also allowed the control of the diameter of the powder particles. The silver particles were distributed in ta narrow particle diameter range with on average of 0.5 {mu}m. Transmission electron microscopy (TEM) revealed that single-crystalline silver particles were prepared by the present method. (author)

  13. Quasifree (p , 2 p ) Reactions on Oxygen Isotopes: Observation of Isospin Independence of the Reduced Single-Particle Strength

    Science.gov (United States)

    Atar, L.; Paschalis, S.; Barbieri, C.; Bertulani, C. A.; Díaz Fernández, P.; Holl, M.; Najafi, M. A.; Panin, V.; Alvarez-Pol, H.; Aumann, T.; Avdeichikov, V.; Beceiro-Novo, S.; Bemmerer, D.; Benlliure, J.; Boillos, J. M.; Boretzky, K.; Borge, M. J. G.; Caamaño, M.; Caesar, C.; Casarejos, E.; Catford, W.; Cederkall, J.; Chartier, M.; Chulkov, L.; Cortina-Gil, D.; Cravo, E.; Crespo, R.; Dillmann, I.; Elekes, Z.; Enders, J.; Ershova, O.; Estrade, A.; Farinon, F.; Fraile, L. M.; Freer, M.; Galaviz Redondo, D.; Geissel, H.; Gernhäuser, R.; Golubev, P.; Göbel, K.; Hagdahl, J.; Heftrich, T.; Heil, M.; Heine, M.; Heinz, A.; Henriques, A.; Hufnagel, A.; Ignatov, A.; Johansson, H. T.; Jonson, B.; Kahlbow, J.; Kalantar-Nayestanaki, N.; Kanungo, R.; Kelic-Heil, A.; Knyazev, A.; Kröll, T.; Kurz, N.; Labiche, M.; Langer, C.; Le Bleis, T.; Lemmon, R.; Lindberg, S.; Machado, J.; Marganiec-Gałązka, J.; Movsesyan, A.; Nacher, E.; Nikolskii, E. Y.; Nilsson, T.; Nociforo, C.; Perea, A.; Petri, M.; Pietri, S.; Plag, R.; Reifarth, R.; Ribeiro, G.; Rigollet, C.; Rossi, D. M.; Röder, M.; Savran, D.; Scheit, H.; Simon, H.; Sorlin, O.; Syndikus, I.; Taylor, J. T.; Tengblad, O.; Thies, R.; Togano, Y.; Vandebrouck, M.; Velho, P.; Volkov, V.; Wagner, A.; Wamers, F.; Weick, H.; Wheldon, C.; Wilson, G. L.; Winfield, J. S.; Woods, P.; Yakorev, D.; Zhukov, M.; Zilges, A.; Zuber, K.; R3B Collaboration

    2018-01-01

    Quasifree one-proton knockout reactions have been employed in inverse kinematics for a systematic study of the structure of stable and exotic oxygen isotopes at the R3B /LAND setup with incident beam energies in the range of 300 - 450 MeV /u . The oxygen isotopic chain offers a large variation of separation energies that allows for a quantitative understanding of single-particle strength with changing isospin asymmetry. Quasifree knockout reactions provide a complementary approach to intermediate-energy one-nucleon removal reactions. Inclusive cross sections for quasifree knockout reactions of the type O A (p ,2 p )N-1A have been determined and compared to calculations based on the eikonal reaction theory. The reduction factors for the single-particle strength with respect to the independent-particle model were obtained and compared to state-of-the-art ab initio predictions. The results do not show any significant dependence on proton-neutron asymmetry.

  14. Quasifree (p, 2p) Reactions on Oxygen Isotopes: Observation of Isospin Independence of the Reduced Single-Particle Strength.

    Science.gov (United States)

    Atar, L; Paschalis, S; Barbieri, C; Bertulani, C A; Díaz Fernández, P; Holl, M; Najafi, M A; Panin, V; Alvarez-Pol, H; Aumann, T; Avdeichikov, V; Beceiro-Novo, S; Bemmerer, D; Benlliure, J; Boillos, J M; Boretzky, K; Borge, M J G; Caamaño, M; Caesar, C; Casarejos, E; Catford, W; Cederkall, J; Chartier, M; Chulkov, L; Cortina-Gil, D; Cravo, E; Crespo, R; Dillmann, I; Elekes, Z; Enders, J; Ershova, O; Estrade, A; Farinon, F; Fraile, L M; Freer, M; Galaviz Redondo, D; Geissel, H; Gernhäuser, R; Golubev, P; Göbel, K; Hagdahl, J; Heftrich, T; Heil, M; Heine, M; Heinz, A; Henriques, A; Hufnagel, A; Ignatov, A; Johansson, H T; Jonson, B; Kahlbow, J; Kalantar-Nayestanaki, N; Kanungo, R; Kelic-Heil, A; Knyazev, A; Kröll, T; Kurz, N; Labiche, M; Langer, C; Le Bleis, T; Lemmon, R; Lindberg, S; Machado, J; Marganiec-Gałązka, J; Movsesyan, A; Nacher, E; Nikolskii, E Y; Nilsson, T; Nociforo, C; Perea, A; Petri, M; Pietri, S; Plag, R; Reifarth, R; Ribeiro, G; Rigollet, C; Rossi, D M; Röder, M; Savran, D; Scheit, H; Simon, H; Sorlin, O; Syndikus, I; Taylor, J T; Tengblad, O; Thies, R; Togano, Y; Vandebrouck, M; Velho, P; Volkov, V; Wagner, A; Wamers, F; Weick, H; Wheldon, C; Wilson, G L; Winfield, J S; Woods, P; Yakorev, D; Zhukov, M; Zilges, A; Zuber, K

    2018-02-02

    Quasifree one-proton knockout reactions have been employed in inverse kinematics for a systematic study of the structure of stable and exotic oxygen isotopes at the R^{3}B/LAND setup with incident beam energies in the range of 300-450  MeV/u. The oxygen isotopic chain offers a large variation of separation energies that allows for a quantitative understanding of single-particle strength with changing isospin asymmetry. Quasifree knockout reactions provide a complementary approach to intermediate-energy one-nucleon removal reactions. Inclusive cross sections for quasifree knockout reactions of the type ^{A}O(p,2p)^{A-1}N have been determined and compared to calculations based on the eikonal reaction theory. The reduction factors for the single-particle strength with respect to the independent-particle model were obtained and compared to state-of-the-art ab initio predictions. The results do not show any significant dependence on proton-neutron asymmetry.

  15. Study of direct single photons and correlated particles in proton-proton collisions at. sqrt. s = 62. 4 GeV

    Energy Technology Data Exchange (ETDEWEB)

    Angelis, A. L.S.; Besch, H. J.; Blumenfeld, B. J.

    1980-01-01

    As part of a study of large p/sub T/ phenomena in proton-proton collisions at the CERN ISR, a search for direct single photon production has been performed. A statistical division of the data sample into the fraction consistent with single photon production and the fraction due to multiphoton decays of neutral hadrons is accomplished by measuring the average conversion probability for the sample in a one radiation length thick converter. The fraction of the sample attributable to direct single photon production is < ..gamma../all > = 0.074 +- 0.012 for 6 GeV/c < p/sub T/ < 10 GeV/C, and < ..gamma../all > = 0.26 +- 0.04 for p/sub T/ > 10 GeV/c, with an additional systematic uncertainty of +- 0.05 for both values. It is found that single photons are produced preferentially with no accompanying particles on the same side. The ratio of positive to negative particles on the away side is found to be 3.7 +- 1.2 at high x/sub E/ and p/sub T/ for the single photon events.

  16. Single-particle behaviour in plasmas

    International Nuclear Information System (INIS)

    McNamara, B.

    1978-01-01

    This paper discusses essentially the motion of charged particles in electromagnetic fields. Difficult methods of averaging are explained and applied to calculation of constants of motion. The breakdown of these constants and its consequences on fusion is analyzed

  17. Cantilever-based micro-particle filter with simultaneous single particle detection

    DEFF Research Database (Denmark)

    Noeth, Nadine-Nicole; Keller, Stephan Sylvest; Boisen, Anja

    2011-01-01

    Currently, separation of whole blood samples on lab-on-a-chip systems is achieved via filters followed by analysis of the filtered matter such as counting of blood cells. Here, a micro-chip based on cantilever technology is developed, which enables simultaneous filtration and counting of micro-particles...... from a liquid. A hole-array is integrated into a micro-cantilever, which is inserted into a microfluidic channel perpendicular to the flow. A metal pad at the apex of the cantilever enables an optical read-out of the deflection of the cantilever. When a micro-particle is too large to pass a hole...

  18. Electronic properties of excited states in single InAs quantum dots; Elektronische Struktur angeregter Zustaende einzelner InAs-Quantenpunkte

    Energy Technology Data Exchange (ETDEWEB)

    Warming, Till

    2009-02-20

    The application of quantum-mechanical effects in semiconductor nanostructures enables the realization of novel opto-electronic devices. Examples are given by single-photon emitters and emitters of entangled photon pairs, both being essential for quantum cryptography, or for qubit systems as needed for quantum computing. InAs/GaAs quantum dots are one of the most promising candidates for such applications. A detailed knowledge of the electronic properties of quantum dots is a prerequisite for this development. The aim of this work is an experimental access to the detailed electronic structure of the excited states in single InAs/GaAs quantum dots including few-particle effects and in particular exchange interaction. The experimental approach is micro photoluminescence excitation spectroscopy ({mu}PLE). One of the main difficulties using {mu}PLE to probe single QDs is the unambiguous assignment of the observed resonances in the spectrum to specific transitions. By comparing micro photoluminescence ({mu}PL) and {mu}PLE spectra, the identification of the main resonances becomes possible. The key is given by the fine structure of the hot trion. Excitation spectroscopy on single charged QDs enables for the first time the complete observation of a non-trivial fine structure of an excitonic complex in a QD, the hot trion. Modelling based on eight-band k.p theory in combination with a configuration interaction scheme is in excellent agreement. Therewith the simulation also enables realistic predictions on the fine structure of the ground-state exciton which is of large importance for single quantum dot devices. Theory concludes from the observed transitions that the structural symmetry of the QDs is broken. Micro photoluminescence excitation spectroscopy combined with resonantly excited micro photoluminescence enables an optical access to the single particle states of the hole without the influence of few-particle coulomb interactions. Based on this knowledge the exciton

  19. Droplet Microfluidics Approach for Single-DNA Molecule Amplification and Condensation into DNA-Magnesium-Pyrophosphate Particles

    Directory of Open Access Journals (Sweden)

    Greta Zubaite

    2017-02-01

    Full Text Available Protein expression in vitro has broad applications in directed evolution, synthetic biology, proteomics and drug screening. However, most of the in vitro expression systems rely on relatively high DNA template concentrations to obtain sufficient amounts of proteins, making it harder to perform in vitro screens on gene libraries. Here, we report a technique for the generation of condensed DNA particles that can serve as efficient templates for in vitro gene expression. We apply droplet microfluidics to encapsulate single-DNA molecules in 3-picoliter (pL volume droplets and convert them into 1 μm-sized DNA particles by the multiple displacement amplification reaction driven by phi29 DNA polymerase. In the presence of magnesium ions and inorganic pyrophosphate, the amplified DNA condensed into the crystalline-like particles, making it possible to purify them from the reaction mix by simple centrifugation. Using purified DNA particles, we performed an in vitro transcription-translation reaction and successfully expressed complex enzyme β-galactosidase in droplets and in the 384-well format. The yield of protein obtained from DNA particles was significantly higher than from the corresponding amount of free DNA templates, thus opening new possibilities for high throughput screening applications.

  20. Dragonfly : an implementation of the expand–maximize–compress algorithm for single-particle imaging

    OpenAIRE

    Ayyer, Kartik; Lan, Ti-Yen; Elser, Veit; Loh, N. Duane

    2016-01-01

    Single-particle imaging (SPI) with X-ray free-electron lasers has the potential to change fundamentally how biomacromolecules are imaged. The structure would be derived from millions of diffraction patterns, each from a different copy of the macromolecule before it is torn apart by radiation damage. The challenges posed by the resultant data stream are staggering: millions of incomplete, noisy and un-oriented patterns have to be computationally assembled into a three-dimensional intensity map...

  1. Probing the type of anomalous diffusion with single-particle tracking.

    Science.gov (United States)

    Ernst, Dominique; Köhler, Jürgen; Weiss, Matthias

    2014-05-07

    Many reactions in complex fluids, e.g. signaling cascades in the cytoplasm of living cells, are governed by a diffusion-driven encounter of reactants. Yet, diffusion in complex fluids often exhibits an anomalous characteristic ('subdiffusion'). Since different types of subdiffusion have distinct effects on timing and equilibria of chemical reactions, a thorough determination of the reactants' type of random walk is key to a quantitative understanding of reactions in complex fluids. Here we introduce a straightforward and simple approach for determining the type of subdiffusion from single-particle tracking data. Unlike previous approaches, our method also is sensitive to transient subdiffusion phenomena, e.g. obstructed diffusion below the percolation threshold. We validate our strategy with data from experiment and simulation.

  2. MAPPIX: A software package for off-line micro-pixe single particle aerosol analysis

    International Nuclear Information System (INIS)

    Ceccato, D.

    2009-01-01

    In the framework of a multiannual experiment performed at Baia Terra Nova, Antarctica, size-segregated aerosol samples were collected by using a 12-stage SDI impactor (Hillamo design). Approximately 2800 particles, belonging to the first four supermicrometric SDI stages - 8.39, 4.08, 2.68, 1.66 μm dynamic aerosol diameter cuts - were analyzed at the INFN-LNL micro-PIXE facility, a three lens Oxford Microprobe (OM) product, installed in the early nineties. Four regions on each of the 12 sub-samples were measured; 60 aerosol particles were detected on average in each of the analyzed regions. The off-line single aerosol particle (SAP) analysis of such big amount of data required software that is able to rapidly handle the acquired data, with a simple and fast area selection procedure; the subsequent automated PIXE spectra analysis with a specialized code was also needed. The MAPPIX 2.0 software was designed to make easier and faster the user jobs during the SAP analysis. The package is composed of two separate routines: the first one is devoted to data format conversion (OM-LMF file format to MAPPIX format), while the second one is devoted to micro-PIXE maps graphical presentation and aerosol particle selection procedure. The MAPPIX data format and software features will be discussed; a short report of the speed performances will be presented.

  3. Staining of fluid-catalytic cracking catalysts: Localising Brønsted acidity within a single catalyst particle

    NARCIS (Netherlands)

    Buurmans, I.L.C.; Ruiz Martinez, J.; van Leeuwen, S.L.; van der Beek, D.; Bergwerff, J.A.; Knowles, W.V.; Vogt, Eelco; Weckhuysen, B.M.

    2012-01-01

    A time-resolved in situ micro-spectroscopic approach has been used to investigate the Brønsted acidic properties of fluid-catalytic-cracking (FCC) catalysts at the single particle level by applying the acid-catalysed styrene oligomerisation probe reaction. The reactivity of individual FCC components

  4. Apparent increase in the thickness of superconducting particles at low temperatures measured by electron holography

    International Nuclear Information System (INIS)

    Hirsch, J.E.

    2013-01-01

    We predict that superconducting particles will show an apparent increase in thickness at low temperatures when measured by electron holography. This will result not from a real thickness increase, rather from an increase in the mean inner potential sensed by the electron wave traveling through the particle, originating in expansion of the electronic wavefunction of the superconducting electrons and resulting negative charge expulsion from the interior to the surface of the superconductor, giving rise to an increase in the phase shift of the electron wavefront going through the sample relative to the wavefront going through vacuum. The temperature dependence of the observed phase shifts will yield valuable new information on the physics of the superconducting state of metals. - Highlights: • A new property of superconducting particles is predicted. • Electron holography will show an apparent increase in thickness at low temperatures. • This will result from a predicted increase in the mean inner potential. • This will originate in expulsion of electrons from the interior to the surface. • This is not predicted by the conventional BCS theory of superconductivity

  5. Single Particle Laser Mass Spectrometry Applied to Differential Ice Nucleation Experiments at the AIDA Chamber

    International Nuclear Information System (INIS)

    Gallavardin, S. J.; Froyd, Karl D.; Lohmann, U.; Moehler, Ottmar; Murphy, Daniel M.; Cziczo, Dan

    2008-01-01

    Experiments conducted at the Aerosol Interactions and Dynamics in the Atmosphere (AIDA) chamber located in Karlsruhe, Germany permit investigation of particle properties that affect the nucleation of ice at temperature and water vapor conditions relevant to cloud microphysics and climate issues. Ice clouds were generated by heterogeneous nucleation of Arizona test dust (ATD), illite, and hematite and homogeneous nucleation of sulfuric acid. Ice crystals formed in the chamber were inertially separated from unactivated, or 'interstitial' aerosol particles with a pumped counterflow virtual impactor (PCVI), then evaporated. The ice residue (i.e., the aerosol which initiated ice nucleation plus any material which was scavenged from the gas- and/or particle-phase), was chemically characterized at the single particle level using a laser ionization mass spectrometer. In this manner the species that first nucleated ice could be identified out of a mixed aerosol population in the chamber. Bare mineral dust particles were more effective ice nuclei (IN) than similar particles with a coating. Metallic particles from contamination in the chamber initiated ice nucleation before other species but there were few enough that they did not compromise the experiments. Nitrate, sulfate, and organics were often detected on particles and ice residue, evidently from scavenging of trace gas-phase species in the chamber. Hematite was a more effective ice nucleus than illite. Ice residue was frequently larger than unactivated test aerosol due to the formation of aggregates due to scavenging, condensation of contaminant gases, and the predominance of larger aerosol in nucleation

  6. Lattice-Boltzmann Method with Dynamic Grid Refinement for Simulating Particle Deposition on a Single Fibre

    Directory of Open Access Journals (Sweden)

    Helmut Schomburg

    2013-03-01

    Full Text Available In this work a numerical approach to predict the deposition behaviour of nano-scale particles on the surface of a single fibre by resolving the resulting dendrite-like particle structures in detail is presented. The gas flow simulation is carried out by a two-dimensional Lattice-Boltzmann method, which is coupled with a Lagrangian approach for the particle motion. To decrease calculation time and system requirements the Lattice-Boltzmann model is extended to allow for local grid refinement. Because of the a priori unknown location of deposition, the simulation procedure starts on a coarse mesh which is then locally refined in a fully adaptive way in regions of accumulated particles. After each deposition the fluid flow is recalculated in order to resolve the coupling of the flow with the growing particle structures correctly. For the purpose of avoiding unphysical blocking of flow by growing particle dendrites the Lattice-Boltzmann method is extended to permeable cells in these regions using the Brinkmann equation. This extended deposition model is compared to simpler approaches, where the deposit has no retroaction on the flow or is treated as a solid structure. It is clear that the permeable model is most realistic and allows considering the particle deposition on a fibre as two-dimensional problem. Comprehensive simulations were conducted for analysing the importance of different parameters, i.e. free-stream velocity and particle diameter on the deposit structure. The results of this sensitivity analysis agree qualitatively well with former published numerical and experimental results. Finally the structure of the particle deposit was quantitatively characterised by using a modified fractal dimension.

  7. Micro-particle manipulation by single beam acoustic tweezers based on hydrothermal PZT thick film

    Directory of Open Access Journals (Sweden)

    Benpeng Zhu

    2016-03-01

    Full Text Available Single-beam acoustic tweezers (SBAT, used in laboratory-on-a-chip (LOC device has promising implications for an individual micro-particle contactless manipulation. In this study, a freestanding hydrothermal PZT thick film with excellent piezoelectric property (d33 = 270pC/N and kt = 0.51 was employed for SBAT applications and a press-focusing technology was introduced. The obtained SBAT, acting at an operational frequency of 50MHz, a low f-number (∼0.9, demonstrated the capability to trap and manipulate a micro-particle sized 10μm in the distilled water. These results suggest that such a device has great potential as a manipulator for a wide range of biomedical and chemical science applications.

  8. Micro-particle manipulation by single beam acoustic tweezers based on hydrothermal PZT thick film

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Benpeng, E-mail: benpengzhu@hust.edu.cn [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074 (China); State Key Laboratory of Transducer Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Xu, Jiong; Yang, Xiaofei [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074 (China); Li, Ying; Lee, Changyang; Zhou, Qifa; Shung, K. Kirk [Department of Biomedical Engineering and NIH Transducer Resource Center, University of Southern California, Los Angeles, California 90089-1111 (United States); Wang, Tian; Xiong, Ke [Department of Physics and Key Laboratory of Acoustic and Photonic Materials and Devices of Ministry of Education, Wuhan University, Wuhan 430072 (China); Shiiba, Michihisa; Takeuchi, Shinichi [Medical Engineering Course, Graduate School of Engineering, Toin University of Yokohama, Yokohama 225-8501 (Japan)

    2016-03-15

    Single-beam acoustic tweezers (SBAT), used in laboratory-on-a-chip (LOC) device has promising implications for an individual micro-particle contactless manipulation. In this study, a freestanding hydrothermal PZT thick film with excellent piezoelectric property (d{sub 33} = 270 pC/N and k{sub t} = 0.51) was employed for SBAT applications and a press-focusing technology was introduced. The obtained SBAT, acting at an operational frequency of 50 MHz, a low f-number (∼0.9), demonstrated the capability to trap and manipulate a micro-particle sized 10μm in the distilled water. These results suggest that such a device has great potential as a manipulator for a wide range of biomedical and chemical science applications.

  9. Burnout of pulverized biomass particles in large scale boiler – Single particle model approach

    DEFF Research Database (Denmark)

    Saastamoinen, Jaakko; Aho, Martti; Moilanen, Antero

    2010-01-01

    the particle combustion model is coupled with one-dimensional equation of motion of the particle, is applied for the calculation of the burnout in the boiler. The particle size of biomass can be much larger than that of coal to reach complete burnout due to lower density and greater reactivity. The burner...... location and the trajectories of the particles might be optimised to maximise the residence time and burnout....

  10. On the simultaneous deployment of two single-particle mass spectrometers at an urban background and a roadside site during SAPUSS

    Directory of Open Access Journals (Sweden)

    M. Dall'Osto

    2016-08-01

    Full Text Available The aerosol time-of-flight mass spectrometer (ATOFMS provides size-resolved information on the chemical composition of single particles with high time resolution. Within SAPUSS (Solving Aerosol Problems by Using Synergistic Strategies, continuous ATOFMS measurements of ambient particles were made simultaneously at two urban locations: urban background (UB site and roadside (RS site in the city of Barcelona (Spain from 17 September to 18 October 2010. Two different instrumental configurations were used: ATOFMS (TSI 3800 with a converging nozzle inlet (high efficiency at about 800–2000 nm at the UB site and ATOFMS (TSI 3800-100 with an aerodynamic lens inlet (high efficiency at about 300–700 nm at the RS site. This is the first time, to our knowledge, that two ATOFMS instruments have been deployed in the same field study. The different instrument configurations had an impact on the observed particle types at the two sites. Nevertheless, 10 particle types were detected at both locations, including local and regional elemental carbon (22.7–58.9 % of total particles, fresh and aged sea salt (1.0–14.6 %, local and regional nitrate-containing aerosols (3–11.6 %, local lead-containing metallic particles (0.1–0.2 %, and transported Fe-nitrate particles (0.8–2.5 %. The ATOFMS at the UB also characterized four particle types: calcium-containing dust (0.9 %, Saharan dust (1.3 %, vanadium-containing particles (0.9 %, and vegetative debris (1.7 %. By contrast, the high statistical counts of fine particles detected at the RS allowed identification of eight particle types. Four of these contained organic nitrogen of primary and secondary origin, which highlights the complex nature of the sources and processes that contribute to this aerosol chemical component. Aminium salts were found related to coarse sulfate-rich particle types, suggesting heterogeneous reaction mechanisms for their formation. The other four particle

  11. Interplay between Single-Particle and Collective Effects in the Odd-A Cu Isotopes beyond N=40

    CERN Document Server

    Stefanescu, I; Balabanski, D L; Blasi, N; Blazhev, A; Bree, N; Cederkäll, J; Cocolios, T E; Davinson, T; Diriken, J; Eberth, J; Ekström, A; Fedorov, D; Fedosseev, V; Fraile-Prieto, L M; Franchoo, S; Gladnishki, K; Huyse, M; Ivanov, O; Ivanov, I; Iwanicki, J; Jolie, J; Konstantinopoulos, T; Kröll, Th; Krücken, R; Köster, U; Lagoyannis, A; Lo Bianco, G; Maierbeck, P; Marsh, B A; Napiorkowski, P; Patronis, N; Pauwels, D; Rainovski, G; Reiter, P; Riisager, K; Seliverstov, M; Sletten, G; Van de Walle, J; Van Duppen, P; Voulot, D; Warr, N; Wenander, F; Wrzosek, K

    2008-01-01

    Collective properties of the low-lying levels in the odd-A 67–73Cu were investigated by Coulomb excitation with radioactive beams. The beams were produced at ISOLDE and postaccelerated by REX-ISOLDE up to 2.99  MeV/u. In 67,69Cu, low-lying 1/2-, 5/2-, and 7/2- states were populated. In 71,73Cu, besides the known transitions deexciting the single-particle-like 5/2- and core-coupled 7/2- levels, γ rays of 454 and 135 keV, respectively, were observed for the first time. Based on a reanalysis of β-decay work and comparison with the systematics, a spin 1/2- is suggested for these excited states. Three B(E2) values were determined in each of the four isotopes. The results indicate a significant change in the structure of the odd-A Cu isotopes beyond N=40 where single-particle-like and collective levels are suggested to coexist at very low excitation energies.

  12. Guidelines for the fitting of anomalous diffusion mean square displacement graphs from single particle tracking experiments.

    Directory of Open Access Journals (Sweden)

    Eldad Kepten

    Full Text Available Single particle tracking is an essential tool in the study of complex systems and biophysics and it is commonly analyzed by the time-averaged mean square displacement (MSD of the diffusive trajectories. However, past work has shown that MSDs are susceptible to significant errors and biases, preventing the comparison and assessment of experimental studies. Here, we attempt to extract practical guidelines for the estimation of anomalous time averaged MSDs through the simulation of multiple scenarios with fractional Brownian motion as a representative of a large class of fractional ergodic processes. We extract the precision and accuracy of the fitted MSD for various anomalous exponents and measurement errors with respect to measurement length and maximum time lags. Based on the calculated precision maps, we present guidelines to improve accuracy in single particle studies. Importantly, we find that in some experimental conditions, the time averaged MSD should not be used as an estimator.

  13. Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexes.

    Science.gov (United States)

    Goodpaster, Jason D; Barnes, Taylor A; Manby, Frederick R; Miller, Thomas F

    2012-12-14

    Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the accuracy and stability of WFT-in-DFT embedding calculations. In particular, we develop spin-dependent embedding potentials in both restricted and unrestricted orbital formulations to enable WFT-in-DFT embedding for open-shell systems, and develop an orbital-occupation-freezing technique to improve the convergence of optimized effective potential calculations that arise in the evaluation of the embedding potential. The new techniques are demonstrated in applications to the van-der-Waals-bound ethylene-propylene dimer and to the hexa-aquairon(II) transition-metal cation. Calculation of the dissociation curve for the ethylene-propylene dimer reveals that WFT-in-DFT embedding reproduces full CCSD(T) energies to within 0.1 kcal/mol at all distances, eliminating errors in the dispersion interactions due to conventional exchange-correlation (XC) functionals while simultaneously avoiding errors due to subsystem partitioning across covalent bonds. Application of WFT-in-DFT embedding to the calculation of the low-spin/high-spin splitting energy in the hexaaquairon(II) cation reveals that the majority of the dependence on the DFT XC functional can be eliminated by treating only the single transition-metal atom at the WFT level; furthermore, these calculations demonstrate the substantial effects of open-shell contributions to the embedding potential, and they suggest that restricted open-shell WFT-in-DFT embedding provides better accuracy than unrestricted open-shell WFT-in-DFT embedding due to the removal of spin contamination.

  14. The development of optical microscopy techniques for the advancement of single-particle studies

    Science.gov (United States)

    Marchuk, Kyle

    Single particle orientation and rotational tracking (SPORT) has recently become a powerful optical microscopy tool that can expose many molecular motions. Unfortunately, there is not yet a single microscopy technique that can decipher all particle motions in all environmental conditions, thus there are limitations to current technologies. Within, the two powerful microscopy tools of total internal reflection and interferometry are advanced to determine the position, orientation, and optical properties of metallic nanoparticles in a variety of environments. Total internal reflection is an optical phenomenon that has been applied to microscopy to produce either fluorescent or scattered light. The non-invasive far-field imaging technique is coupled with a near-field illumination scheme that allows for better axial resolution than confocal microscopy and epi-fluorescence microscopy. By controlling the incident illumination angle using total internal reflection fluorescence (TIRF) microscopy, a new type of imaging probe called "non-blinking" quantum dots (NBQDs) were super-localized in the axial direction to sub-10-nm precision. These particles were also used to study the rotational motion of microtubules being propelled by the motor protein kinesin across the substrate surface. The same instrument was modified to function under total internal reflection scattering (TIRS) microscopy to study metallic anisotropic nanoparticles and their dynamic interactions with synthetic lipid bilayers. Utilizing two illumination lasers with opposite polarization directions at wavelengths corresponding to the short and long axis surface plasmon resonance (SPR) of the nanoparticles, both the in-plane and out-of-plane movements of many particles could be tracked simultaneously. When combined with Gaussian point spread function (PSF) fitting for particle super-localization, the binding status and rotational movement could be resolved without degeneracy. TIRS microscopy was also used to

  15. The development of optical microscopy techniques for the advancement of single-particle studies

    Energy Technology Data Exchange (ETDEWEB)

    Marchuk, Kyle [Iowa State Univ., Ames, IA (United States)

    2013-05-15

    Single particle orientation and rotational tracking (SPORT) has recently become a powerful optical microscopy tool that can expose many molecular motions. Unfortunately, there is not yet a single microscopy technique that can decipher all particle motions in all environmental conditions, thus there are limitations to current technologies. Within, the two powerful microscopy tools of total internal reflection and interferometry are advanced to determine the position, orientation, and optical properties of metallic nanoparticles in a variety of environments. Total internal reflection is an optical phenomenon that has been applied to microscopy to produce either fluorescent or scattered light. The non-invasive far-field imaging technique is coupled with a near-field illumination scheme that allows for better axial resolution than confocal microscopy and epi-fluorescence microscopy. By controlling the incident illumination angle using total internal reflection fluorescence (TIRF) microscopy, a new type of imaging probe called “non-blinking” quantum dots (NBQDs) were super-localized in the axial direction to sub-10-nm precision. These particles were also used to study the rotational motion of microtubules being propelled by the motor protein kinesin across the substrate surface. The same instrument was modified to function under total internal reflection scattering (TIRS) microscopy to study metallic anisotropic nanoparticles and their dynamic interactions with synthetic lipid bilayers. Utilizing two illumination lasers with opposite polarization directions at wavelengths corresponding to the short and long axis surface plasmon resonance (SPR) of the nanoparticles, both the in-plane and out-of-plane movements of many particles could be tracked simultaneously. When combined with Gaussian point spread function (PSF) fitting for particle super-localization, the binding status and rotational movement could be resolved without degeneracy. TIRS microscopy was also used to

  16. Investigation on the biological effects of pharynx irradiation by single-particle microbeam and C.elegans immobilization

    International Nuclear Information System (INIS)

    Guo Xiaoying; Yang Gen; Chen Lianyun; Wu Lijun; Li Buqing

    2010-01-01

    Using C.elegans- with clear genetic background, easy genetic maneuverability, small individual, transparence, easily penetrated by a variety of particle as a in vivo model organism, irradiation damage at the individual level of the signal transduction and the mechanism research were investigated. In order to radiate accurately, the worms need Immobilize. The results showed that the ether: ethanol = 1:1 mixture, enabled the worms quickly anesthesia, and kept the worms Immobilization in the whole irradiation process, then quickly recovered after irradiation and recovery rate of 100%. On the basis, the laved and the apoptotic cells in the distal gonad would be test when the worm pharynx were irradiated by single-particle microbeam. The primary results showed that the apoptotic cells in distal gonad significantly increased when the worm pharynx were irradiated 5000 particles. (authors)

  17. Detection of lead nanoparticles in game meat by single particle ICP-MS following use of lead-containing bullets

    DEFF Research Database (Denmark)

    Kollander, Barbro; Widemo, Fredrik; Ågren, Erik

    2017-01-01

    This study investigated whether game meat may contain nanoparticles of lead from ammunition. Lead nanoparticles in the range 40 to 750 nm were detected by ICP-MS in single particle mode in game shot with lead-containing bullets. The median diameter of the detected nanoparticles was around 60 nm....... The particle mass concentration ranged from 290 to 340 ng/g meat and the particle number concentrations from 27 to 50 million particles/g meat. The size limit of detection strongly depended on the level of dissolved lead and was in the range of 40 to 80 nm. In game meat sampled more than 10 cm away from...... the wound channel, no lead particles with a diameter larger than 40 nm were detected. In addition to dissolved lead in meat that originated from particulates, the presence of lead nano particles in game meat represents a hitherto unattended source of lead with a largely unknown toxicological impact...

  18. Visualizing Ebolavirus Particles Using Single-Particle Interferometric Reflectance Imaging Sensor (SP-IRIS).

    Science.gov (United States)

    Carter, Erik P; Seymour, Elif Ç; Scherr, Steven M; Daaboul, George G; Freedman, David S; Selim Ünlü, M; Connor, John H

    2017-01-01

    This chapter describes an approach for the label-free imaging and quantification of intact Ebola virus (EBOV) and EBOV viruslike particles (VLPs) using a light microscopy technique. In this technique, individual virus particles are captured onto a silicon chip that has been printed with spots of virus-specific capture antibodies. These captured virions are then detected using an optical approach called interference reflectance imaging. This approach allows for the detection of each virus particle that is captured on an antibody spot and can resolve the filamentous structure of EBOV VLPs without the need for electron microscopy. Capture of VLPs and virions can be done from a variety of sample types ranging from tissue culture medium to blood. The technique also allows automated quantitative analysis of the number of virions captured. This can be used to identify the virus concentration in an unknown sample. In addition, this technique offers the opportunity to easily image virions captured from native solutions without the need for additional labeling approaches while offering a means of assessing the range of particle sizes and morphologies in a quantitative manner.

  19. Effect of wave-function localization on the time delay in photoemission from surfaces

    International Nuclear Information System (INIS)

    Zhang, C.-H.; Thumm, U.

    2011-01-01

    We investigate streaking time delays in the photoemission from a solid model surface as a function of the degree of localization of the initial-state wave functions. We consider a one-dimensional slab with lattice constant a latt of attractive Gaussian-shaped core potentials of width σ. The parameter σ/a latt thus controls the overlap between adjacent core potentials and localization of the electronic eigenfunctions on the lattice points. Small values of σ/a latt latt > or approx 0.4. By numerically solving the time-dependent Schroedinger equation, we calculate photoemission spectra from which we deduce a characteristic bimodal shape of the band-averaged photoemission time delay: as the slab eigenfunctions become increasingly delocalized, the time delay quickly decreases near σ/a latt =0.3 from relatively large values below σ/a latt ∼0.2 to much smaller delays above σ/a latt ∼0.4. This change in wave-function localization facilitates the interpretation of a recently measured apparent relative time delay between the photoemission from core and conduction-band levels of a tungsten surface.

  20. Single-particle spectroscopy of I-III-VI semiconductor nanocrystals: spectral diffusion and suppression of blinking by two-color excitation.

    Science.gov (United States)

    Sharma, Dharmendar Kumar; Hirata, Shuzo; Bujak, Lukasz; Biju, Vasudevanpillai; Kameyama, Tatsuya; Kishi, Marino; Torimoto, Tsukasa; Vacha, Martin

    2016-07-14

    Ternary I-III-VI semiconductor nanocrystals have been explored as non-toxic alternatives to II-VI semiconductors for optoelectronic and sensing applications, but large photoluminescence spectral width and moderate brightness restrict their practical use. Here, using single-particle photoluminescence spectroscopy on nanocrystals of (AgIn)xZn2(1-x)S2 we show that the photoluminescence band is inhomogeneously broadened and that size distribution is the dominant factor in the broadening. The residual homogeneous linewidth of individual nanocrystals reaches up to 75% of the ensemble spectral width. Single nanocrystals undergo spectral diffusion which also contributes to the inhomogeneous band. Excitation with two lasers with energies above and below the bandgap reveals coexistence of two emitting donor states within one particle. Spectral diffusion in such particles is due to temporal activation and deactivation of one such state. Filling of a trap state with a lower-energy laser enables optical modulation of photoluminescence intermittency (blinking) and leads to an almost two-fold increase in brightness.