WorldWideScience

Sample records for single-particle matrix elements

  1. 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

  2. Corrections to the free-nucleon values of the single-particle matrix elements of the M1 and Gamow-Teller operators, from a comparison of shell-model predictions with sd-shell data

    International Nuclear Information System (INIS)

    Brown, B.A.; Wildenthal, B.H.

    1983-01-01

    The magnetic dipole moments of states in mirror pairs of the sd-shell nuclei and the strengths of the Gamow-Teller beta decays which connect them are compared with predictions based on mixed-configuration shell-model wave functions. From this analysis we extract the average effective values of the single-particle matrix elements of the l, s, and [Y/sup( 2 )xs]/sup( 1 ) components of the M1 and Gamow-Teller operators acting on nucleons in the 0d/sub 5/2/, 1s/sub 1/2/, and 0d/sub 3/2/ orbits. These results are compared with the recent calculations by Towner and Khanna of the corrections to the free-nucleon values of these matrix elements which arise from the effects of isobar currents, mesonic-exchange currents, and mixing with configurations outside the sd shell

  3. 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.

  4. QCD Matrix Elements + Parton Showers

    CERN Document Server

    Catani, S; Kühn, R; Webber, Bryan R

    2001-01-01

    We propose a method for combining QCD matrix elements and parton showers in Monte Carlo simulations of hadronic final states in $e^+e^-$ annihilation. The matrix element and parton shower domains are separated at some value $y_{ini}$ of the jet resolution, defined according to the $k_T$-clustering algorithm. The matrix elements are modified by Sudakov form factors and the parton showers are subjected to a veto procedure to cancel dependence on $y_{ini}$ to next-to-leading logarithmic accuracy. The method provides a leading-order description of hard multi-jet configurations together with jet fragmentation, while avoiding the most serious problems of double counting. We present first results of an approximate implementation using the event generator APACIC++.

  5. Analytic matrix elements with shifted correlated Gaussians

    DEFF Research Database (Denmark)

    Fedorov, D. V.

    2017-01-01

    Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics.......Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics....

  6. Shell-structure influence on the multinucleon transfer in nucleon transfer matrix elements

    International Nuclear Information System (INIS)

    Muminov, A.I.; Utamuratov, R.K.; Kalandarov, Sh.A.; Nasirov, V.K.; Nasirov, A.K.

    2004-01-01

    Full text: An analysis of the experimental data on the charge (mass) distributions of products in nuclear reactions with heavy ions [1], dependence of yield of fragments on their isotope numbers and ones of projectile- and target nuclei [2], and cross sections of the formation of evaporation residues at synthesis of new superheavy elements [3] shows that the individual peculiarities (shell structure, N/Z-ratio) of interacting nuclei play decisive role at formation and evolution of dinuclear system. Therefore, the appropriate microscopic model should be used for the theoretical analysis of the above mentioned effects. The main quantities which must be included into model are the realistic scheme of single-particle states, nucleon separation energy, single-particle matrix elements of nucleon transitions in nuclei and nucleon exchange between them caused by influence of the mean-field of partner-nucleus. In this work the nucleon transfer matrix elements were calculated for the Wood-Saxon potential for spherical nucleus. The eigenvalues and wave functions of single-particle states were obtained by numerical solving Schroedinger's equation. The integral estimation of the matrix elements is found by comparing the calculated width of the charge distributions of the reaction products with the experimental data. In the early paper [4], the same matrix elements were calculated analytically using an approximation for wave functions: authors have used wave functions of the spherical potential well. The numerical values of squares of proton transfer matrix elements found in this work are nearly in coincidence with that presented in [4]. There is a difference between curves of dependencies of the matrix elements under discussion on the relative distance between centres of nuclei when this distance is smaller than sum of nuclei radii

  7. Rovibrational matrix elements of the multipole moments

    Indian Academy of Sciences (India)

    Rovibrational matrix elements of the multipole moments ℓ up to rank 10 and of the linear polarizability of the H2 molecule in the condensed phase have been computed taking into account the effect of the intermolecular potential. Comparison with gas phase matrix elements shows that the effect of solid state interactions is ...

  8. Third order transfer matrix elements of octopoles

    International Nuclear Information System (INIS)

    Heck, D.

    1976-04-01

    The matrix elements of the third order transport matrices for electrostatic and magnetic octopoles are derived. They are needed in ion optical calculations, if octopoles are used as correctors of image aberrations. (orig.) [de

  9. Single particle ICP-MS as a tool for determining the stability of silver nanoparticles in aquatic matrixes under various environmental conditions, including treatment by ozonation.

    Science.gov (United States)

    Telgmann, Lena; Nguyen, Michael Thanh Khoa; Shen, Li; Yargeau, Viviane; Hintelmann, Holger; Metcalfe, Chris D

    2016-07-01

    Silver nanoparticles (AgNPs) are used in a large number of consumer products due to their antimicrobial and antifungal properties, and these materials may be discharged into municipal wastewater. Wastewater treatment, including advanced oxidation processes (AOPs), may modify the forms of silver in wastewater before they are discharged into surface waters. In addition, little is known about the changes in AgNPs that occur in natural waters under different environmental conditions. In this project, we utilized single particle ICP-MS (spICP-MS) and dynamic light scattering (DLS) analytical techniques to evaluate changes in the number and size of AgNPs in laboratory experiments with milliQ water under different environmental conditions, as well as during ozonation. Changes in the number and size of AgNPs determined by spICP-MS were evidence of altered stability of the nanoparticles. Increased rates of dissolution occurred under extremes of pH. Lower temperature decreased the rate of dissolution of AgNP relative to the dissolution in treatments at room temperature. The addition of chloride resulted in the loss of AgNPs from suspension due to agglomeration and precipitation. Ozonation led to a rapid decline in the number and size of AgNPs, as indicated by both spICP-MS and DLS analysis. An increase in the concentration of dissolved silver in the ozone treatments was evidence that changes in particle size were a result of oxidative dissolution of AgNPs to silver ion. Graphical abstract Single particle ICP-MS is used to evaluate dissolution of silver nanoparticles under different environmental conditions, including water treatment by ozonation.

  10. Rolling Element Bearing Stiffness Matrix Determination (Presentation)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Y.; Parker, R.

    2014-01-01

    Current theoretical bearing models differ in their stiffness estimates because of different model assumptions. In this study, a finite element/contact mechanics model is developed for rolling element bearings with the focus of obtaining accurate bearing stiffness for a wide range of bearing types and parameters. A combined surface integral and finite element method is used to solve for the contact mechanics between the rolling elements and races. This model captures the time-dependent characteristics of the bearing contact due to the orbital motion of the rolling elements. A numerical method is developed to determine the full bearing stiffness matrix corresponding to two radial, one axial, and two angular coordinates; the rotation about the shaft axis is free by design. This proposed stiffness determination method is validated against experiments in the literature and compared to existing analytical models and widely used advanced computational methods. The fully-populated stiffness matrix demonstrates the coupling between bearing radial, axial, and tilting bearing deflections.

  11. Matrix elements from moments of correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Chia Cheng [SLAC National Accelerator Lab., Menlo Park, CA (United States); Bouchard, Chris [College of William and Mary, Williamsburg, VA (United States); Orginos, Konstantinos [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); College of William and Mary, Williamsburg, VA (United States); Richards, David G. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2016-10-01

    Momentum-space derivatives of matrix elements can be related to their coordinate-space moments through the Fourier transform. We derive these expressions as a function of momentum transfer Q2 for asymptotic in/out states consisting of a single hadron. We calculate corrections to the finite volume moments by studying the spatial dependence of the lattice correlation functions. This method permits the computation of not only the values of matrix elements at momenta accessible on the lattice, but also the momentum-space derivatives, providing {\\it a priori} information about the Q2 dependence of form factors. As a specific application we use the method, at a single lattice spacing and with unphysically heavy quarks, to directly obtain the slope of the isovector form factor at various Q2, whence the isovector charge radius. The method has potential application in the calculation of any hadronic matrix element with momentum transfer, including those relevant to hadronic weak decays.

  12. Algebraic approach to bare nucleon matrix elements of quark operators

    International Nuclear Information System (INIS)

    Zschocke, Sven; Kaempfer, Burkhard; Plunien, Guenter

    2005-01-01

    An algebraic method for evaluating bare nucleon matrix elements of quark operators is proposed. Thereby, bare nucleon matrix elements are traced back to vacuum matrix elements. The method is similar to the soft pion theorem. Matrix elements of two-quark, four-quark and six-quark operators inside the bare nucleon are considered

  13. Weak interaction matrix elements with staggered fermions

    International Nuclear Information System (INIS)

    Sharpe, S.R.

    1986-08-01

    An overview of the results of the Los Alamos Advanced Computing Group is given. The theory behind the measurement of Weak Interaction Matrix Elements using staggered fermions is presented, and contrasted with that for Wilson fermions. This is followed by a preliminary discussion of numerical results on a 12 3 x 30 lattice. 10 refs., 4 figs

  14. 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.

  15. 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

  16. Proton decay matrix elements from lattice QCD

    International Nuclear Information System (INIS)

    Aoki, Yasumichi; Shintani, Eigo

    2012-01-01

    We report on the calculation of the matrix elements of nucleon to pseudoscalar decay through a three quark operator, a part of the low-energy, four-fermion, baryon-number-violating operator originating from grand unified theories. The direct calculation of the form factors using domain-wall fermions on the lattice, incorporating the u, d and s sea-quarks effects yields the results with all the relevant systematic uncertainties controlled for the first time.

  17. 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

  18. The finite element response Matrix method

    International Nuclear Information System (INIS)

    Nakata, H.; Martin, W.R.

    1983-01-01

    A new method for global reactor core calculations is described. This method is based on a unique formulation of the response matrix method, implemented with a higher order finite element method. The unique aspects of this approach are twofold. First, there are two levels to the overall calculational scheme: the local or assembly level and the global or core level. Second, the response matrix scheme, which is formulated at both levels, consists of two separate response matrices rather than one response matrix as is generally the case. These separate response matrices are seen to be quite beneficial for the criticality eigenvalue calculation, because they are independent of k /SUB eff/. The response matrices are generated from a Galerkin finite element solution to the weak form of the diffusion equation, subject to an arbitrary incoming current and an arbitrary distributed source. Calculational results are reported for two test problems, the two-dimensional International Atomic Energy Agency benchmark problem and a two-dimensional pressurized water reactor test problem (Biblis reactor), and they compare well with standard coarse mesh methods with respect to accuracy and efficiency. Moreover, the accuracy (and capability) is comparable to fine mesh for a fraction of the computational cost. Extension of the method to treat heterogeneous assemblies and spatial depletion effects is discussed

  19. 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.)

  20. Rovibrational matrix elements of the multipole moments and of the ...

    Indian Academy of Sciences (India)

    Comparison with gas phase matrix elements shows that the effect of solid state interactions is marginal. Keywords. Multipole moments; linear polarizability; solid hydrogen, matrix elements. PACS Nos 33.15.Kr; 33.70.-w; 34.20.Gj. 1. Introduction. The rovibrational matrix elements of the multipole moments and polarizability of.

  1. The Matrix Element Method and Vector-Like Quark Searches

    CERN Document Server

    Morrison, Benjamin

    2016-01-01

    In my time at the CERN summer student program, I worked on applying the matrix element method to vector-like quark identification. I worked in the ATLAS University of Geneva group under Dr. Olaf Nackenhorst. I developed automated plotting tools with ROOT, a script for implementing and optimizing generated matrix element calculation code, and kinematic transforms for the matrix element method.

  2. Single particle orbitals of the heaviest known actinide nuclei

    International Nuclear Information System (INIS)

    Ahmad, I.

    1992-01-01

    Single particle states in the actinide nuclei have been well characterized by decay scheme, (n, γ) and one nucleon transfer reaction studies. The energies of the single particle states are used to calculate the shell corrections which may give rise to stable superheavy elements. Large shell corrections for the superheavy elements arise from the gaps in the proton single-particle spectrum at Z = 114 and in the neutron single-particle spectrum at N = 184. The gap at Z = 114 is determined by the splitting of the f 7/2 and f 5/2 orbitals and the gap at N = 184 is determined by the locations of the h 11/2 , k 17/2 and j 13/2 spherical orbitals. Many of these states have been identified in very heavy actinide nuclei. Experiments identifying these states and the relation of the observed energies to the stability of superheavy elements are discussed

  3. A new single-particle basis for nuclear many-body calculations

    Science.gov (United States)

    Puddu, G.

    2017-10-01

    Predominantly, harmonic oscillator single-particle wave functions are the preferred choice for a basis in ab initio nuclear many-body calculations. These wave-functions, although very convenient in order to evaluate the matrix elements of the interaction in the laboratory frame, have too fast a fall-off at large distances. In the past, as an alternative to the harmonic oscillator, other single-particle wave functions have been proposed. In this work, we propose a new single-particle basis, directly linked to nucleon-nucleon interaction. This new basis is orthonormal and complete, has the proper asymptotic behavior at large distances and does not contain the continuum which would pose severe convergence problems in nuclear many body calculations. We consider the newly proposed NNLO-opt nucleon-nucleon interaction, without any renormalization. We show that, unlike other bases, this single-particle representation has a computational cost similar to the harmonic oscillator basis with the same space truncation and it gives lower energies for 6He and 6Li.

  4. Microorganism characterization by single particle mass spectrometry.

    Science.gov (United States)

    Russell, Scott C

    2009-01-01

    In recent years a major effort by several groups has been undertaken to identify bacteria by mass spectrometry at the single cell level. The intent of this review is to highlight the recent progress made in the application of single particle mass spectrometry to the analysis of microorganisms. A large portion of the review highlights improvements in the ionization and mass analysis of bio-aerosols, or particles that contain biologically relevant molecules such as peptides or proteins. While these are not direct applications to bacteria, the results have been central to a progression toward single cell mass spectrometry. Developments in single particle matrix-assisted laser desorption/ionization (MALDI) are summarized. Recent applications of aerosol laser desorption/ionization (LDI) to the analysis of single microorganisms are highlighted. Successful applications of off-line and on-the-fly aerosol MALDI to microorganism detection are discussed. Limitations to current approaches and necessary future achievements are also addressed. (c) 2009 Wiley Periodicals, Inc.

  5. Useful extremum principle for the variational calculation of matrix elements

    Science.gov (United States)

    Gerjuoy, E.; Rau, A. R. P.; Rosenberg, L.; Spruch, L.

    1974-01-01

    Variational principles are considered for the approximate evaluation of the diagonal matrix elements of an arbitrary known linear Hermitian operator. A method is derived that is immediately applicable to the variational determination of both the off-diagonal and diagonal matrix elements of normal and modified Green's functions.

  6. 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

  7. Hadronic matrix elements in lattice QCD

    International Nuclear Information System (INIS)

    Jaeger, Benjamin

    2014-01-01

    The lattice formulation of Quantum ChromoDynamics (QCD) has become a reliable tool providing an ab initio calculation of low-energy quantities. Despite numerous successes, systematic uncertainties, such as discretisation effects, finite-size effects, and contaminations from excited states, are inherent in any lattice calculation. Simulations with controlled systematic uncertainties and close to the physical pion mass have become state-of-the-art. We present such a calculation for various hadronic matrix elements using non-perturbatively O(a)-improved Wilson fermions with two dynamical light quark flavours. The main topics covered in this thesis are the axial charge of the nucleon, the electro-magnetic form factors of the nucleon, and the leading hadronic contributions to the anomalous magnetic moment of the muon. Lattice simulations typically tend to underestimate the axial charge of the nucleon by 5-10%. We show that including excited state contaminations using the summed operator insertion method leads to agreement with the experimentally determined value. Further studies of systematic uncertainties reveal only small discretisation effects. For the electro-magnetic form factors of the nucleon, we see a similar contamination from excited states as for the axial charge. The electro-magnetic radii, extracted from a dipole fit to the momentum dependence of the form factors, show no indication of finite-size or cutoff effects. If we include excited states using the summed operator insertion method, we achieve better agreement with the radii from phenomenology. The anomalous magnetic moment of the muon can be measured and predicted to very high precision. The theoretical prediction of the anomalous magnetic moment receives contribution from strong, weak, and electro-magnetic interactions, where the hadronic contributions dominate the uncertainties. A persistent 3σ tension between the experimental determination and the theoretical calculation is found, which is

  8. Elements of matrix modeling and computing with Matlab

    CERN Document Server

    White, Robert E

    2006-01-01

    As discrete models and computing have become more common, there is a need to study matrix computation and numerical linear algebra. Encompassing a diverse mathematical core, Elements of Matrix Modeling and Computing with MATLAB examines a variety of applications and their modeling processes, showing you how to develop matrix models and solve algebraic systems. Emphasizing practical skills, it creates a bridge from problems with two and three variables to more realistic problems that have additional variables. Elements of Matrix Modeling and Computing with MATLAB focuses on seven basic applicat

  9. Spectral analysis of gluonic pole matrix elements for fragmentation

    NARCIS (Netherlands)

    Gamberg, L. P.; Mukherjee, A.B.; Mulders, P.J.G.

    2008-01-01

    The nonvanishing of gluonic pole matrix elements can explain the appearance of single spin asymmetries in high-energy scattering processes. We use a spectator framework approach to investigate the spectral properties of quark-quark-gluon correlators and use this to study gluonic pole matrix

  10. Direct calculation of off-diagonal matrix elements

    International Nuclear Information System (INIS)

    Killingbeck, J P; Jolicard, G

    2011-01-01

    Gauss elimination is used in a sequence of calculations which give the squares of the off-diagonal matrix elements of x between quartic oscillator eigenstates, in a modification of the original sum rule approach of Tipping et al to the problem. New and more flexible methods are then devised and tested and are shown to permit the isolation and calculation of individual squared matrix elements of x and x 2 .

  11. Classical limit of position matrix elements for Rydberg atoms

    Science.gov (United States)

    Pitak, Aleksandra; Mostowski, Jan

    2018-03-01

    In this work we discuss Bohr’s correspondence principle in a particular physical system, namely the hydrogen atom. It is shown that while diagonal elements of the position operator are equal to zero, off-diagonal elements between two states of different but close energies have a classical limit. The classical limit is reached when both principal quantum numbers, and hence both energies, are large but their difference is small. In this case the matrix elements of the position operator tend to the Fourier component of a classical trajectory, whose parameters are found. The classical limit is proved by finding numerical values of the matrix elements and also by exact treatment of the analytical formulas. This discussion provides a deeper understanding of the correspondence between quantum and classical mechanics and contributes to a better understanding of hydrogen atom wave functions.

  12. Effects of quenching and partial quenching on penguin matrix elements

    NARCIS (Netherlands)

    Golterman, Maarten; Pallante, Elisabetta

    2001-01-01

    In the calculation of non-leptonic weak decay rates, a "mismatch" arises when the QCD evolution of the relevant weak hamiltonian down to hadronic scales is performed in unquenched QCD, but the hadronic matrix elements are then computed in (partially) quenched lattice QCD. This mismatch arises

  13. S-matrix elements from T-duality

    International Nuclear Information System (INIS)

    Babaei Velni, Komeil; Garousi, Mohammad R.

    2013-01-01

    Recently it has been speculated that the S-matrix elements satisfy the Ward identity associated with the T-duality. This indicates that a group of S-matrix elements is invariant under the linear T-duality transformations on the external states. If one evaluates one component of such T-dual multiplet, then all other components may be found by the simple use of the linear T-duality. The assumption that fields must be independent of the Killing coordinate, however, may cause, in some cases, the T-dual multiplet not to be gauge invariant. In those cases, the S-matrix elements contain more than one T-dual multiplet which are intertwined by the gauge symmetry. In this paper, we apply the T-dual Ward identity on the S-matrix element of one RR (p−3)-form and two NSNS states on the world volume of a D p -brane to find its corresponding T-dual multiplet. In the case that the RR potential has two transverse indices, the T-dual multiplet is gauge invariant, however, in the case that it has one transverse index the multiplet is not gauge invariant. We find a new T-dual multiplet in this case by imposing the gauge symmetry. We show that the multiplets are reproduced by explicit calculation, and their low energy contact terms at order α ′2 are consistent with the existing couplings in the literature

  14. Application of FIRE for the calculation of photon matrix elements

    Indian Academy of Sciences (India)

    In order to evaluate the two-loop Feynman diagrams for the photon matrix element of the gluon operator, I apply the recently developed algorithm FIRE which reduces a complicated sum of scalar Feynman integrals to a linear combination of a few master integrals. The details of the calculation are presented.

  15. Structure of nuclear transition matrix elements for neutrinoless ...

    Indian Academy of Sciences (India)

    Abstract. The structure of nuclear transition matrix elements (NTMEs) required for the study of neutrinoless double- decay within light Majorana neutrino mass mechanism is disassembled in the PHFB model. The NTMEs are calculated using a set of HFB intrinsic wave functions, the reliability of which has been previously ...

  16. Rovibrational matrix elements of the multipole moments and of the ...

    Indian Academy of Sciences (India)

    The rovibrational matrix elements of the multipole moments and polarizability of molecules find applications in the study of infrared spectra, intermolecular potential and collision-induced absorption phenomena, especially in homonuclear molecules. Because of its simplicity and fundamental importance, the hydrogen ...

  17. Lattice matrix elements and CP violation in and physics: Status ...

    Indian Academy of Sciences (India)

    ... Discussion Meetings · Public Lectures · Lecture Workshops · Refresher Courses · Symposia · Live Streaming. Home; Journals; Pramana – Journal of Physics; Volume 62; Issue 2. Lattice matrix elements and CP violation in and physics: Status and outlook. Amarjit Soni. Volume 62 Issue 2 February 2004 pp 415-437 ...

  18. Radial Matrix Elements of Hydrogen Atom and the Correspondence ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    Abstract. Radial dipole matrix elements having astrophysical impor- tance have been computed for highly excited states of hydrogen atom. Computation is based on Heisenberg's form of correspondence principle for Coulomb potential. Particular attention has been paid to the choice of classical analogue (nc) of principal ...

  19. Structure of nuclear transition matrix elements for neutrinoless ...

    Indian Academy of Sciences (India)

    Abstract. The structure of nuclear transition matrix elements (NTMEs) required for the study of neutrinoless double-β decay within light Majorana neutrino mass mechanism is disassembled in the PHFB model. The NTMEs are calculated using a set of HFB intrinsic wave functions, the reliability of which has been previously ...

  20. Off-diagonal matrix elements: a modus tollens approach

    Science.gov (United States)

    Killingbeck, J. P.; Jolicard, G.

    2011-12-01

    A numerical application of the modus tollens rule of classical logic is described and is shown to permit the calculation of off-diagonal matrix elements by using a small basis set of implicit wavefunctions. The success of the calculation is discussed in terms of the most simple form of the Hohenberg-Kohn theorem.

  1. Off-diagonal matrix elements: a modus tollens approach

    Energy Technology Data Exchange (ETDEWEB)

    Killingbeck, J P [Centre for Mathematics, Loten Building, University of Hull, Hull HU6 7RX (United Kingdom); Jolicard, G, E-mail: J.P.Killingbeck@hull.ac.uk [Institut UTINAM (CNRS UMR 6213), 41 bis Avenue de l' Observatoire, BP 1615, 25010 Besancon cedex (France)

    2011-12-02

    A numerical application of the modus tollens rule of classical logic is described and is shown to permit the calculation of off-diagonal matrix elements by using a small basis set of implicit wavefunctions. The success of the calculation is discussed in terms of the most simple form of the Hohenberg-Kohn theorem. (paper)

  2. Transfer matrix calculation for ion optical elements using real fields

    Science.gov (United States)

    Mishra, P. M.; Blaum, K.; George, S.; Grieser, M.; Wolf, A.

    2018-03-01

    With the increasing importance of ion storage rings and traps in low energy physics experiments, an efficient transport of ion species from the ion source area to the experimental setup becomes essential. Some available, powerful software packages rely on transfer matrix calculations in order to compute the ion trajectory through the ion-optical beamline systems of high complexity. With analytical approaches, so far the transfer matrices are documented only for a few ideal ion optical elements. Here we describe an approach (using beam tracking calculations) to determine the transfer matrix for any individual electrostatic or magnetostatic ion optical element. We verify the procedure by considering the well-known cases and then apply it to derive the transfer matrix of a 90-degree electrostatic quadrupole deflector including its realistic geometry and fringe fields. A transfer line consisting of a quadrupole deflector and a quadrupole doublet is considered, where the results from the standard first order transfer matrix based ion optical simulation program implementing the derived transfer matrix is compared with the real field beam tracking simulations.

  3. Graphitic matrix materials for spherical HTR fuel elements

    International Nuclear Information System (INIS)

    Rind, W.; Schulze, R.E.; Schulze, H.A.

    1981-12-01

    The present report comprises the essential results of material development and irradiation testing of graphitic matrix materials for spherical HTR fuel elements and completes the documentation of the irradiation data for 20 matrix materials (Juel-1702). The main emphasis is given to the matrices A3-3 (standard matrix) and A3-27 (matrix synthesized resin), both of which are being used as structural materials for the fuel elements of the AVR and the THTR respectively. In addition, comparisons are made between 18 A3-variants and the standard matrix A3-3. It is shown that three of the variants come into question as a potential for use. The results described were obtained in the framework of the HTR project 'Hochtemperaturreaktor-Brennstoffkreislauf' (HBK), in which are involved the Gesellschaft fuer Hochtemperaturreaktor-Technik mbH, Hochtemperaturreaktor-Brennelemente GmbH, Hochtemperatur-Reaktorbau GmbH, Kernforschungsanlage Juelich GmbH, NUKEM GmbH, and Sigri Elektrographit GmbH/Ringsdorff-Werke GmbH. The project is sponsored by the 'Bundesministerium fuer Forschung und Technologie' and by the state of 'Nordrhein-Westfalen'. (orig.) [de

  4. Graphitic matrix materials for spherical HTR fuel elements

    International Nuclear Information System (INIS)

    Schulze, R.E.; Schulze, H.A.

    1981-02-01

    The report comprises the graphical documentation of irradiation results on graphitic matrix materials for spherical HTR fuel elements. The plotted results are based on data analyses of the series of exposures in the High Flux Reactor Petten (HFR). The documentation includes information about the changes of - the dimensions - the dynamic modulus of elasticity - the coefficient of thermal expansion of the materials after irradiation with fast neutrons. The irradiation experiments and the data analyses are part of the matrix development and irradiation programme, whose objective, realization and results obtained are summarized. (orig./IHOE) [de

  5. Glueball Spectrum and Matrix Elements on Anisotropic Lattices

    Energy Technology Data Exchange (ETDEWEB)

    Y. Chen; A. Alexandru; S.J. Dong; T. Draper; I. Horvath; F.X. Lee; K.F. Liu; N. Mathur; C. Morningstar; M. Peardon; S. Tamhankar; B.L. Young; J.B. Zhang

    2006-01-01

    The glueball-to-vacuum matrix elements of local gluonic operators in scalar, tensor, and pseudoscalar channels are investigated numerically on several anisotropic lattices with the spatial lattice spacing ranging from 0.1fm - 0.2fm. These matrix elements are needed to predict the glueball branching ratios in J/{psi} radiative decays which will help identify the glueball states in experiments. Two types of improved local gluonic operators are constructed for a self-consistent check and the finite volume effects are studied. We find that lattice spacing dependence of our results is very weak and the continuum limits are reliably extrapolated, as a result of improvement of the lattice gauge action and local operators. We also give updated glueball masses with various quantum numbers.

  6. Application of FIRE for the calculation of photon matrix elements

    Indian Academy of Sciences (India)

    perturbative QCD for the kinematical region Λ2 ≪ P2 ≪ Q2, where −Q2 (−P2) is the mass square of the probe (target) photon and Λ is the QCD scale parameter. In order to evaluate the two-loop Feynman diagrams for the photon matrix element of the gluon operator, I apply the recently developed algorithm FIRE which ...

  7. The scattering matrix element of the three body reactive collision

    International Nuclear Information System (INIS)

    Morsy, M.W.; Hilal, A.A.; El-Sabagh, M.A.

    1980-08-01

    The optical model approximation has been applied to a previously derived set of coupled equations representing the dynamics of the three-body reactive scattering. The Schroedinger equation obtained describing the scattering problem has then been solved by inserting the effective mass approximation. The asymptotic requirements for both the entrance and exit channels, respectively, have been supplied to give the scattering matrix element of the reactive collision. (author)

  8. Reweighting QCD matrix-element and parton-shower calculations

    OpenAIRE

    Bothmann, Enrico; Schönherr, Marek; Schumann, Steffen

    2016-01-01

    We present the implementation and validation of the techniques used to efficiently evaluate parametric and perturbative theoretical uncertainties in matrix-element plus parton-shower simulations within the Sherpa event-generator framework. By tracing the full αs and PDF dependences, including the parton-shower component, as well as the fixed-order scale uncertainties, we compute variational event weights on-the-fly, thereby greatly reducing the computational costs to obtain theoretical-uncert...

  9. Reweighting QCD matrix-element and parton-shower calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bothmann, Enrico; Schumann, Steffen [Universitaet Goettingen, II. Physikalisches Institut, Goettingen (Germany); Schoenherr, Marek [Universitaet Zuerich, Physik-Institut, Zuerich (Switzerland)

    2016-11-15

    We present the implementation and validation of the techniques used to efficiently evaluate parametric and perturbative theoretical uncertainties in matrix-element plus parton-shower simulations within the Sherpa event-generator framework. By tracing the full α{sub s} and PDF dependences, including the parton-shower component, as well as the fixed-order scale uncertainties, we compute variational event weights on-the-fly, thereby greatly reducing the computational costs to obtain theoretical-uncertainty estimates. (orig.)

  10. Double β-decay nuclear matrix elements and lepton conservation

    International Nuclear Information System (INIS)

    Vergados, J.D.

    1976-01-01

    The nuclear matrix elements involved in the double β-decay of 48 Ca, 130 Te, and 128 Te were calculated using realistic nuclear interactions and shell model nuclear wave functions. The double doorway state is not appreciably mixed in the ground state of the final nuclei. So the ground state transitions contain a small fraction of the sum rule. A lepton nonconservation parameter eta -4 was deduced

  11. Double-β decay matrix elements from lattice quantum chromodynamics

    International Nuclear Information System (INIS)

    Tiburzi, Brian C.; Chang, Emmanuel; Davoudi, Zohreh

    2017-01-01

    A lattice quantum chromodynamics (LQCD) calculation of the nuclear matrix element relevant to the nn→ppeeν̄ e ν̄ e transition is described in detail, expanding on the results presented in Ref. [1]. This matrix element, which involves two insertions of the weak axial current, is an important input for phenomenological determinations of double-β decay rates of nuclei. From this exploratory study, performed using unphysical values of the quark masses, the long-distance deuteron-pole contribution to the matrix element is separated from shorter-distance hadronic contributions. This polarizability, which is only accessible in double-weak processes, cannot be constrained from single-β decay of nuclei, and is found to be smaller than the long-distance contributions in this calculation, but non-negligible. In this work, technical aspects of the LQCD calculations, and of the relevant formalism in the pionless effective field theory, are described. Further calculations of the isotensor axial polarizability, in particular near and at the physical values of the light-quark masses, are required for precise determinations of both two-neutrino and neutrinoless double-β decay rates in heavy nuclei.

  12. A new program for calculating matrix elements in atomic structure

    International Nuclear Information System (INIS)

    The solution of many problems concerning the electronic structure of atoms requires the evaluation of the matrix elements of the Hamiltonian operator, including the electrostatic interaction. These matrix elements may be expressed as weighted sums of radial integrals. The program we describe in this paper evaluates the coefficients of the Slater integrals and, if these are given, computes all the matrix elements for a given set of configurations. This program has nearly the same purposes as Hibbert's program and is also based on the Racach techniques. The main difference between this algorithm and the cited one is the method used to calculate the recoupling coefficients. While Hibbert's programs use Burke's algorithm to calculate these coefficients, in our program they are computed using the graphical techniques developed by Jucys et al. According to this method, that we describe in another paper the formulae needed to calculate the recoupling coefficients are previously derived and simplified (as a first step of the program). The use of this method may considerably reduce the running time, specially in the case of large configuration interaction matrices. (orig.)

  13. 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.

  14. 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)

  15. Single particle electrochemical sensors and methods of utilization

    Science.gov (United States)

    Schoeniger, Joseph [Oakland, CA; Flounders, Albert W [Berkeley, CA; Hughes, Robert C [Albuquerque, NM; Ricco, Antonio J [Los Gatos, CA; Wally, Karl [Lafayette, CA; Kravitz, Stanley H [Placitas, NM; Janek, Richard P [Oakland, CA

    2006-04-04

    The present invention discloses an electrochemical device for detecting single particles, and methods for using such a device to achieve high sensitivity for detecting particles such as bacteria, viruses, aggregates, immuno-complexes, molecules, or ionic species. The device provides for affinity-based electrochemical detection of particles with single-particle sensitivity. The disclosed device and methods are based on microelectrodes with surface-attached, affinity ligands (e.g., antibodies, combinatorial peptides, glycolipids) that bind selectively to some target particle species. The electrodes electrolyze chemical species present in the particle-containing solution, and particle interaction with a sensor element modulates its electrolytic activity. The devices may be used individually, employed as sensors, used in arrays for a single specific type of particle or for a range of particle types, or configured into arrays of sensors having both these attributes.

  16. 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

  17. The probe rules in single particle tracking

    DEFF Research Database (Denmark)

    Clausen, Mathias P.; Lagerholm, B. Christoffer

    2011-01-01

    Single particle tracking (SPT) enables light microscopy at a sub-diffraction limited spatial resolution by a combination of imaging at low molecular labeling densities and computational image processing. SPT and related single molecule imaging techniques have found a rapidly expanded use within...

  18. The current matrix elements from HAL QCD method

    Science.gov (United States)

    Watanabe, Kai; Ishii, Noriyoshi

    2018-03-01

    HAL QCD method is a method to construct a potential (HAL QCD potential) that reproduces the NN scattering phase shift faithful to the QCD. The HAL QCD potential is obtained from QCD by eliminating the degrees of freedom of quarks and gluons and leaving only two particular hadrons. Therefor, in the effective quantum mechanics of two nucleons defined by HAL QCD potential, the conserved current consists not only of the nucleon current but also an extra current originating from the potential (two-body current). Though the form of the two-body current is closely related to the potential, it is not straight forward to extract the former from the latter. In this work, we derive the the current matrix element formula in the quantum mechanics defined by the HAL QCD potential. As a first step, we focus on the non-relativistic case. To give an explicit example, we consider a second quantized non-relativistic two-channel coupling model which we refer to as the original model. From the original model, the HAL QCD potential for the open channel is constructed by eliminating the closed channel in the elastic two-particle scattering region. The current matrix element formula is derived by demanding the effective quantum mechanics defined by the HAL QCD potential to respond to the external field in the same way as the original two-channel coupling model.

  19. 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

  20. Single particle closed orbits in Yukawa potential

    Science.gov (United States)

    Mukherjee, R.; Sounda, S.

    2018-02-01

    Orbit of a single particle moving under the Yukawa potential is studied and there exists precessing ellipse type orbits. The amount of precession can be tuned through the coupling parameter α. With a suitable choice of the coupling parameter; we get a closed bound orbit. In some cases few petals are observed which is possessed of a closed bound nature for suitably chosen coupling parameter. Threshold energy has also been calculated for bound orbits.

  1. Measurements of the CKM matrix element V(cb)

    CERN Document Server

    Di Ciaccio, L

    1996-01-01

    A review of the measurements of the element V ch of the CabibboKobayashi-Maskawa matrix is presented. The experimental results discussed here are based on the selection of the decays B -t D' lv and on the study of the differential decay rate as a function of the momentum transfer from the B to D' particle. This method allows to measure IV chi with a reduced model dependence. This review describes mainly the most recent analyses which have been performed by the LEP Collaborations. The IVcbl determination based on the inclusive semileptonic decay width of the B hadrons is also shortly presented. The results obtained with these two methods are averaged and prospects for the future are discussed

  2. Neutrinoless Double Beta Decay Matrix Elements in Light Nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Pastore, S.; Carlson, J.; Cirigliano, V.; Dekens, W.; Mereghetti, E.; Wiringa, R. B.

    2018-01-17

    We present the first ab initio calculations of neutrinoless double-β decay matrix elements in A=6-12 nuclei using variational Monte Carlo wave functions obtained from the Argonne v18 two-nucleon potential and Illinois-7 three-nucleon interaction. We study both light Majorana neutrino exchange and potentials arising from a large class of multi-TeV mechanisms of lepton-number violation. Our results provide benchmarks to be used in testing many-body methods that can be extended to the heavy nuclei of experimental interest. In light nuclei we also study the impact of two-body short-range correlations and the use of different forms for the transition operators, such as those corresponding to different orders in chiral effective theory.

  3. 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.

  4. Fabrication of synthetic diffractive elements using advanced matrix laser lithography

    International Nuclear Information System (INIS)

    Škeren, M; Svoboda, J; Kveton, M; Fiala, P

    2013-01-01

    In this paper we present a matrix laser writing device based on a demagnified projection of a micro-structure from a computer driven spatial light modulator. The device is capable of writing completely aperiodic micro-structures with resolution higher than 200 000 DPI. An optical system is combined with ultra high precision piezoelectric stages with an elementary step ∼ 4 nm. The device operates in a normal environment, which significantly decreases the costs compared to competitive technologies. Simultaneously, large areas can be exposed up to 100 cm2. The capabilities of the constructed device will be demonstrated on particular elements fabricated for real applications. The optical document security is the first interesting field, where the synthetic image holograms are often combined with sophisticated aperiodic micro-structures. The proposed technology can easily write simple micro-gratings creating the color and kinetic visual effects, but also the diffractive cryptograms, waveguide couplers, and other structures recently used in the field of optical security. A general beam shaping elements and special photonic micro-structures are another important applications which will be discussed in this paper.

  5. Fabrication of synthetic diffractive elements using advanced matrix laser lithography

    Science.gov (United States)

    Škereň, M.; Svoboda, J.; Květoň, M.; Fiala, P.

    2013-02-01

    In this paper we present a matrix laser writing device based on a demagnified projection of a micro-structure from a computer driven spatial light modulator. The device is capable of writing completely aperiodic micro-structures with resolution higher than 200 000 DPI. An optical system is combined with ultra high precision piezoelectric stages with an elementary step ~ 4 nm. The device operates in a normal environment, which significantly decreases the costs compared to competitive technologies. Simultaneously, large areas can be exposed up to 100 cm2. The capabilities of the constructed device will be demonstrated on particular elements fabricated for real applications. The optical document security is the first interesting field, where the synthetic image holograms are often combined with sophisticated aperiodic micro-structures. The proposed technology can easily write simple micro-gratings creating the color and kinetic visual effects, but also the diffractive cryptograms, waveguide couplers, and other structures recently used in the field of optical security. A general beam shaping elements and special photonic micro-structures are another important applications which will be discussed in this paper.

  6. Single-particle excitations in disordered Weyl fluids

    Science.gov (United States)

    Pixley, J. H.; Chou, Yang-Zhi; Goswami, Pallab; Huse, David A.; Nandkishore, Rahul; Radzihovsky, Leo; Das Sarma, S.

    2017-06-01

    We theoretically study the single-particle Green function of a three-dimensional disordered Weyl semimetal using a combination of techniques. These include analytic T -matrix and renormalization group methods with complementary regimes of validity and an exact numerical approach based on the kernel polynomial technique. We show that at any nonzero disorder, Weyl excitations are not ballistic: They instead have a nonzero linewidth that for weak short-range disorder arises from nonperturbative resonant impurity scattering. Perturbative approaches find a quantum critical point between a semimetal and a metal at a finite disorder strength, but this transition is avoided due to nonperturbative effects. At moderate disorder strength and intermediate energies the avoided quantum critical point renormalizes the scaling of single-particle properties. In this regime we compute numerically the anomalous dimension of the fermion field and find η =0.13 ±0.04 , which agrees well with a renormalization group analysis (η =0.125 ). Our predictions can be directly tested by ARPES and STM measurements in samples dominated by neutral impurities.

  7. Nanoscale three-dimensional single particle tracking.

    Science.gov (United States)

    Dupont, Aurélie; Lamb, Don C

    2011-11-01

    Single particle tracking (SPT) in biological systems is a quickly growing field. Many new technologies are being developed providing new tracking capabilities, which also lead to higher demands and expectations for SPT. Following a single biomolecule as it performs its function provides quantitative mechanistic information that cannot be obtained in classical ensemble methods. From the 3D trajectory, information is available over the diffusional behavior of the particle and precise position information can also be used to elucidate interactions of the tracked particle with its surroundings. Thus, three-dimensional (3D) SPT is a very valuable tool for investigating cellular processes. This review presents recent progress in 3D SPT, from image-based techniques toward more sophisticated feedback approaches. We focus mainly on the feedback technique known as orbital tracking. We present here a modified version of the original orbital tracking in which the intensities from two z-planes are simultaneously measured allowing a concomitant wide-field imaging. The system can track single particles with a precision down to 5 nm in the x-y plane and 7 nm in the axial direction. The capabilities of the system are demonstrated using single virus tracing to follow the infection pathway of Prototype Foamy Virus in living cells.

  8. Single particle tomography in EMAN2.

    Science.gov (United States)

    Galaz-Montoya, Jesús G; Flanagan, John; Schmid, Michael F; Ludtke, Steven J

    2015-06-01

    Single particle tomography (SPT or subtomogram averaging) offers a powerful alternative to traditional 2-D single particle reconstruction for studying conformationally or compositionally heterogeneous macromolecules. It can also provide direct observation (without labeling or staining) of complexes inside cells at nanometer resolution. The development of computational methods and tools for SPT remains an area of active research. Here we present the EMAN2.1 SPT toolbox, which offers a full SPT processing pipeline, from particle picking to post-alignment analysis of subtomogram averages, automating most steps. Different algorithm combinations can be applied at each step, providing versatility and allowing for procedural cross-testing and specimen-specific strategies. Alignment methods include all-vs-all, binary tree, iterative single-model refinement, multiple-model refinement, and self-symmetry alignment. An efficient angular search, Graphic Processing Unit (GPU) acceleration and both threaded and distributed parallelism are provided to speed up processing. Finally, automated simulations, per particle reconstruction of subtiltseries, and per-particle Contrast Transfer Function (CTF) correction have been implemented. Processing examples using both real and simulated data are shown for several structures. Copyright © 2015 Elsevier Inc. All rights reserved.

  9. A top quark mass measurement using a matrix element method

    Energy Technology Data Exchange (ETDEWEB)

    Linacre, Jacob Thomas [St. John' s College, Annapolis, MD (United States)

    2009-01-01

    A measurement of the mass of the top quark is presented, using top-antitop pair (t$\\bar{t}$) candidate events for the lepton+jets decay channel. The measurement makes use of Tevatron p$\\bar{p}$ collision data at centre-of-mass energy √s = 1.96 TeV, collected at the CDF detector. The top quark mass is measured by employing an unbinned maximum likelihood method where the event probability density functions are calculated using signal (t$\\bar{t}$) and background (W+jets) matrix elements, as well as a set of parameterised jet-to-parton mapping functions. The likelihood function is maximised with respect to the top quark mass, the fraction of signal events, and a correction to the jet energy scale (JES) of the calorimeter jets. The simultaneous measurement of the JES correction (ΔJES) provides an in situ jet energy calibration based on the known mass of the hadronically decaying W boson. Using 578 lepton+jets candidate events corresponding to 3.2 fb -1 of integrated luminosity, the top quark mass is measured to be mt = 172.4± 1.4 (stat+ΔJES) ±1.3 (syst) GeV=c2, one of the most precise single measurements to date.

  10. Controlling excited-state contamination in nucleon matrix elements

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Boram; Gupta, Rajan; Bhattacharya, Tanmoy; Engelhardt, Michael; Green, Jeremy; Joó, Bálint; Lin, Huey-Wen; Negele, John; Orginos, Kostas; Pochinsky, Andrew; Richards, David; Syritsyn, Sergey; Winter, Frank

    2016-06-01

    We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1 flavor ensemble with lattices of size $32^3 \\times 64$ generated using the rational hybrid Monte Carlo algorithm at $a=0.081$~fm and with $M_\\pi=312$~MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a two-state fit to data at multiple values of the source-sink separation $t_{\\rm sep}$. We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost-effectiveness. A detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of $t_{\\rm sep}$ needed to demonstrate convergence of the isovector charges of the nucleon to the $t_{\\rm sep} \\to \\infty $ estimates is presented.

  11. Matrix element method for high performance computing platforms

    Science.gov (United States)

    Grasseau, G.; Chamont, D.; Beaudette, F.; Bianchini, L.; Davignon, O.; Mastrolorenzo, L.; Ochando, C.; Paganini, P.; Strebler, T.

    2015-12-01

    Lot of efforts have been devoted by ATLAS and CMS teams to improve the quality of LHC events analysis with the Matrix Element Method (MEM). Up to now, very few implementations try to face up the huge computing resources required by this method. We propose here a highly parallel version, combining MPI and OpenCL, which makes the MEM exploitation reachable for the whole CMS datasets with a moderate cost. In the article, we describe the status of two software projects under development, one focused on physics and one focused on computing. We also showcase their preliminary performance obtained with classical multi-core processors, CUDA accelerators and MIC co-processors. This let us extrapolate that with the help of 6 high-end accelerators, we should be able to reprocess the whole LHC run 1 within 10 days, and that we have a satisfying metric for the upcoming run 2. The future work will consist in finalizing a single merged system including all the physics and all the parallelism infrastructure, thus optimizing implementation for best hardware platforms.

  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.; 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

  13. Multiplex single particle analysis in microfluidics.

    Science.gov (United States)

    Dannhauser, D; Romeo, G; Causa, F; De Santo, I; Netti, P A

    2014-10-21

    A straightforward way to measure separated micrometric sized particles in microfluidic flow is reported. The light scattering profile (LSP) of each single particle is fully characterized by using a CMOS-camera based small angle light scattering (SALS) apparatus, ranging from 2° up to 30°. To ensure controlled particle passage through the incident laser, a viscoelastic 3D alignment effect by viscoelastic induced particle migration has been implemented in a simple and cost-effective microfluidic device. Different polystyrene particle sizes are measured in microfluidic flows and the obtained scattering signatures are matched with the Lorenz-Mie based scattering theory. The results confirm the possibility of using this apparatus for real multiplex particle analyses in microfluidic particle flows.

  14. Recursive calculation of matrix elements for the generalized seniority shell model

    International Nuclear Information System (INIS)

    Luo, F.Q.; Caprio, M.A.

    2011-01-01

    A recursive calculational scheme is developed for matrix elements in the generalized seniority scheme for the nuclear shell model. Recurrence relations are derived which permit straightforward and efficient computation of matrix elements of one-body and two-body operators and basis state overlaps.

  15. Light shifts and electric dipole matrix elements in Ba+ and Ra+

    NARCIS (Netherlands)

    Sahoo, B. K.; Wansbeek, L. W.; Jungmann, K.; Timmermans, R. G. E.

    We present an analysis of the recent measurements of the light-shift ratio in Ba+ at two different wavelengths that enables us to reduce the uncertainty of the largest E1 dipole matrix elements of Ba+. These matrix elements are, for instance, of interest for the proposed parity-nonconservation (PNC)

  16. The temporal Fresnel number in terms of ray matrix elements

    International Nuclear Information System (INIS)

    Zhang Zhuhong; Fan Dianyuan

    1993-01-01

    By using the analogy between temporal ray matrix and the well known ray matrix, the temporal Fresnel number, which gives the qualitative and quasiquantitative characteristics (shape, width and chirp) of optical pulses, is derived. A concept of effective propagation time is introduced. Several typical examples are discussed. 6 refs

  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. Single particle raster image analysis of diffusion.

    Science.gov (United States)

    Longfils, M; Schuster, E; Lorén, N; Särkkä, A; Rudemo, M

    2017-04-01

    As a complement to the standard RICS method of analysing Raster Image Correlation Spectroscopy images with estimation of the image correlation function, we introduce the method SPRIA, Single Particle Raster Image Analysis. Here, we start by identifying individual particles and estimate the diffusion coefficient for each particle by a maximum likelihood method. Averaging over the particles gives a diffusion coefficient estimate for the whole image. In examples both with simulated and experimental data, we show that the new method gives accurate estimates. It also gives directly standard error estimates. The method should be possible to extend to study heterogeneous materials and systems of particles with varying diffusion coefficient, as demonstrated in a simple simulation example. A requirement for applying the SPRIA method is that the particle concentration is low enough so that we can identify the individual particles. We also describe a bootstrap method for estimating the standard error of standard RICS. © 2016 The Authors Journal of Microscopy © 2016 Royal Microscopical Society.

  19. 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)

  20. Comparison between phase shift derived and exactly calculated nucleon--nucleon interaction matrix elements

    International Nuclear Information System (INIS)

    Gregersen, A.W.

    1977-01-01

    A comparison is made between matrix elements calculated using the uncoupled channel Sussex approach to second order in DWBA and matrix elements calculated using a square well potential. The square well potential illustrated the problem of the determining parameter independence balanced with the concept of phase shift difference. The super-soft core potential was used to discuss the systematics of the Sussex approach as a function of angular momentum as well as the relation between Sussex generated and effective interaction matrix elements. In the uncoupled channels the original Sussex method of extracting effective interaction matrix elements was found to be satisfactory. In the coupled channels emphasis was placed upon the 3 S 1 -- 3 D 1 coupled channel matrix elements. Comparison is made between exactly calculated matrix elements, and matrix elements derived using an extended formulation of the coupled channel Sussex method. For simplicity the potential used is a nonseparable cut-off oscillator. The eigenphases of this potential can be made to approximate the realistic nucleon--nucleon phase shifts at low energies. By using the cut-off oscillator test potential, the original coupled channel Sussex method of determining parameter independence was shown to be incapable of accurately reproducing the exact cut-off oscillator matrix elements. The extended Sussex method was found to be accurate to within 10 percent. The extended method is based upon more general coupled channel DWBA and a noninfinite oscillator wave function solution to the cut-off oscillator auxiliary potential. A comparison is made in the coupled channels between matrix elements generated using the original Sussex method and the extended method. Tables of matrix elements generated using the original uncoupled channel Sussex method and the extended coupled channel Sussex method are presented for all necessary angular momentum channels

  1. Something different - caching applied to calculation of impedance matrix elements

    CSIR Research Space (South Africa)

    Lysko, AA

    2012-09-01

    Full Text Available (N). The method requires only minor modifications of an existing code, and has been realized in Matlab. The tests confirmed validity of the method and showed doubling the speed of filling the impedance matrix in....

  2. High convergence order finite elements with lumped mass matrix

    DEFF Research Database (Denmark)

    Jensen, Morten skårup

    1996-01-01

    A method for deriving hexahedral finite elements with lumped mass matrices for three-dimensional problems is presented. These elements meet the theoretical conditions for high order convergence, and two numerical examples based on the three-dimensional scalar wave equation show that this is also...... the case in practice and that their accuracy is comparable to elements with consistent mass matrices....

  3. A finite element formulation preserving symmetric and banded diffusion stiffness matrix characteristics for fractional differential equations

    Science.gov (United States)

    Lin, Zeng; Wang, Dongdong

    2017-10-01

    Due to the nonlocal property of the fractional derivative, the finite element analysis of fractional diffusion equation often leads to a dense and non-symmetric stiffness matrix, in contrast to the conventional finite element formulation with a particularly desirable symmetric and banded stiffness matrix structure for the typical diffusion equation. This work first proposes a finite element formulation that preserves the symmetry and banded stiffness matrix characteristics for the fractional diffusion equation. The key point of the proposed formulation is the symmetric weak form construction through introducing a fractional weight function. It turns out that the stiffness part of the present formulation is identical to its counterpart of the finite element method for the conventional diffusion equation and thus the stiffness matrix formulation becomes trivial. Meanwhile, the fractional derivative effect in the discrete formulation is completely transferred to the force vector, which is obviously much easier and efficient to compute than the dense fractional derivative stiffness matrix. Subsequently, it is further shown that for the general fractional advection-diffusion-reaction equation, the symmetric and banded structure can also be maintained for the diffusion stiffness matrix, although the total stiffness matrix is not symmetric in this case. More importantly, it is demonstrated that under certain conditions this symmetric diffusion stiffness matrix formulation is capable of producing very favorable numerical solutions in comparison with the conventional non-symmetric diffusion stiffness matrix finite element formulation. The effectiveness of the proposed methodology is illustrated through a series of numerical examples.

  4. Nuclear reaction matrix calculations with a shell-model Q

    International Nuclear Information System (INIS)

    Barrett, B.R.; McCarthy, R.J.

    1976-01-01

    Das Barrett-Hewitt-McCarthy (BHM) method for calculating the nuclear reaction matrix G is used to compute shell-model matrix elements for A = 18 nuclei. The energy denominators in intermediate states containing one unoccupied single-particle (s.p.) state and one valence s.p. state are treated correctly, in contrast to previous calculations. These corrections are not important for valence-shell matrix elements but are found to lead to relatively large changes in cross-shell matrix elements involved in core-polarization diagrams. (orig.) [de

  5. Microprocessor-based single particle calibration of scintillation counter

    Science.gov (United States)

    Mazumdar, G. K. D.; Pathak, K. M.

    1985-01-01

    A microprocessor-base set-up is fabricated and tested for the single particle calibration of the plastic scintillator. The single particle response of the scintillator is digitized by an A/D converter, and a 8085 A based microprocessor stores the pulse heights. The digitized information is printed. Facilities for CRT display and cassette storing and recalling are also made available.

  6. 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

  7. EH3 matrix mineralogy with major and trace element composition compared to chondrules

    Science.gov (United States)

    Lehner, S. W.; McDonough, W. F.; NéMeth, P.

    2014-12-01

    We investigated the matrix mineralogy in primitive EH3 chondrites Sahara 97072, ALH 84170, and LAR 06252 with transmission electron microscopy; measured the trace and major element compositions of Sahara 97072 matrix and ferromagnesian chondrules with laser-ablation, inductively coupled, plasma mass spectrometry (LA-ICPMS); and analyzed the bulk composition of Sahara 97072 with LA-ICPMS, solution ICPMS, and inductively coupled plasma atomic emission spectroscopy. The fine-grained matrix of EH3 chondrites is unlike that in other chondrite groups, consisting primarily of enstatite, cristobalite, troilite, and kamacite with a notable absence of olivine. Matrix and pyroxene-rich chondrule compositions differ from one another and are distinct from the bulk meteorite. Refractory lithophile elements are enriched by a factor of 1.5-3 in chondrules relative to matrix, whereas the matrix is enriched in moderately volatile elements. The compositional relation between the chondrules and matrix is reminiscent of the difference between EH3 pyroxene-rich chondrules and EH3 Si-rich, highly sulfidized chondrules. Similar refractory element ratios between the matrix and the pyroxene-rich chondrules suggest the fine-grained material primarily consists of the shattered, sulfidized remains of the formerly pyroxene-rich chondrules with the minor addition of metal clasts. The matrix, chondrule, and metal-sulfide nodule compositions are probably complementary, suggesting all the components of the EH3 chondrites came from the same nebular reservoir.

  8. Characteristics of Matrix Metals in Which Fast Diffusion of Foreign Metallic Elements Occurs

    Science.gov (United States)

    Mae, Yoshiharu

    2018-04-01

    A few foreign elements are known to diffuse faster than the self-diffusion of the matrix metal. However, the characteristics of the matrix metal, which contribute to such fast diffusion remain unknown. In this study, the diffusion coefficients of various elements were plotted on a TC-YM diagram. The matrix metals that show fast diffusion are located in the low thermal conductivity range of the TC-YM diagram, while diffuser elements that undergo fast diffusion are mainly gulf elements such as Fe, Ni, Co, Cr, and Cu. The gulf elements are those that show the largest combination of thermal conductivity and Young's modulus. The great difference in the electron mobility between the matrix metal and diffuser elements generates a repulsive force between them, and the repulsive force—acting between the soft and large atoms of the matrix metal and the hard and small atoms of the diffuser elements—deforms the atoms of the matrix metal to open passageways for fast diffusion of diffuser elements.

  9. Constant Matrix Element Approximation to Time-Resolved Angle-Resolved Photoemission Spectroscopy

    Directory of Open Access Journals (Sweden)

    James K. Freericks

    2016-11-01

    Full Text Available We discuss several issues associated with employing a constant matrix element approximation for the coupling of light to multiband electrons in the context of time-resolved angle-resolved photoemission spectroscopy (TR-ARPES. In particular, we demonstrate that the “constant matrix element approximation” —even when reasonable—only holds for specific choices of the one-electron basis, and changing to other bases, requires including nonconstant corrections to the matrix element. We also discuss some simplifying approximations, where a constant matrix element is employed in multiple bases, and the consequences of this further approximation (especially with respect to the calculated TR-ARPES signal becoming negative. We also discuss issues related to gauge invariance of the final spectra.

  10. Evaluating two-loop massive operator matrix elements with Mellin-Barnes integrals

    International Nuclear Information System (INIS)

    Bierenbaum, I.; Bluemlein, J.; Klein, S.

    2006-07-01

    We calculate massive 5-propagator 2-loop integrals for operator matrix elements in the light-cone expansion, using Mellin-Barnes techniques and representations through generalized hypergeometric functions. (Orig.)

  11. Pre-selective screening for matrix elements in linear-scaling exact exchange calculations.

    Science.gov (United States)

    Kussmann, Jörg; Ochsenfeld, Christian

    2013-04-07

    We present a simple but accurate preselection method based on Schwarz integral estimates to determine the significant elements of the exact exchange matrix before its evaluation, thus providing an asymptotical linear-scaling behavior for non-metallic systems. Our screening procedure proves to be highly suitable for exchange matrix calculations on massively parallel computing architectures, such as graphical processing units, for which we present a first linear-scaling exchange matrix evaluation algorithm.

  12. Excessive Memory Usage of the ELLPACK Sparse Matrix Storage Scheme throughout the Finite Element Computations

    Directory of Open Access Journals (Sweden)

    G. Akinci

    2014-12-01

    Full Text Available Sparse matrices are occasionally encountered during solution of various problems by means of numerical methods, particularly the finite element method. ELLPACK sparse matrix storage scheme, one of the most widely used methods due to its implementation ease, is investigated in this study. The scheme uses excessive memory due to its definition. For the conventional finite element method, where the node elements are used, the excessive memory caused by redundant entries in the ELLPACK sparse matrix storage scheme becomes negligible for large scale problems. On the other hand, our analyses show that the redundancy is still considerable for the occasions where facet or edge elements have to be used.

  13. Matrix elements of u and p for the modified Poeschl-Teller potential

    International Nuclear Information System (INIS)

    Gomez-Camacho, J; Lemus, R; Arias, J M

    2004-01-01

    Closed analytical expressions in terms of a single sum are obtained for the matrix elements of the momentum and the natural variable u tanh(αx) in the basis of the modified Poeschl-Teller (MPT) bound eigenstates. These matrix elements are first expressed in terms of Franck-Condon factors, which thereafter are substituted for analytic expressions. Expansions of the variables p and u in terms of creation and annihilation operators associated with the MPT bound eigenfunctions are also presented

  14. 3-Loop massive O(T2F) contributions to the DIS operator matrix element Agg

    International Nuclear Information System (INIS)

    Ablinger, J.; Schneider, C.; Bluemlein, J.; Freitas, A. de; Hasselhuhn, A.; Round, M.; Manteuffel, A. von

    2014-09-01

    Contributions to heavy flavour transition matrix elements in the variable flavour number scheme are considered at 3-loop order. In particular a calculation of the diagrams with two equal masses that contribute to the massive operator matrix element A (3) gg,Q is performed. In the Mellin space result one finds finite nested binomial sums. In x-space these sums correspond to iterated integrals over an alphabet containing also square-root valued letters.

  15. Composition Feature of the Element Tangent Stiffness Matrix of Geometrically Nonlinear 2D Frame Structures

    Directory of Open Access Journals (Sweden)

    Romanas Karkauskas

    2011-04-01

    Full Text Available The expressions of the finite element method tangent stiffness matrix of geometrically nonlinear constructions are not fully presented in publications. The matrixes of small displacements stiffness are usually presented only. To solve various problems of construction analysis or design and to specify the mode of the real deflection of construction, it is necessary to have a fully described tangent matrix analytical expression. This paper presents a technique of tangent stiffness matrix generation using discrete body total potential energy stationary conditions considering geometrically nonlinear 2D frame element taking account of interelement interaction forces only. The obtained vector-function derivative of internal forces considering nodal displacements is the tangent stiffness matrix. The analytical expressions having nodal displacements of matrixes forming the content of the 2D frame construction element tangent stiffness matrix are presented in the article. The suggested methodology has been checked making symbolical calculations in the medium of MatLAB calculation complex. The analytical expression of the stiffness matrix has been obtained.Article in Lithuanian

  16. The single-particle microbeam facility at CEA-Saclay

    Energy Technology Data Exchange (ETDEWEB)

    Khodja, H. [DSM/IRAMIS/SIS2M, CEA Saclay, F-91191 Gif-sur-Yvette Cedex (France); CNRS, UMR9956, Laboratoire Pierre Suee, F-91191 Gif-sur-Yvette Cedex (France)], E-mail: hicham.khodja@cea.fr; Hanot, M.; Carriere, M.; Hoarau, J. [DSM/IRAMIS/SIS2M, CEA Saclay, F-91191 Gif-sur-Yvette Cedex (France); CNRS, UMR9956, Laboratoire Pierre Suee, F-91191 Gif-sur-Yvette Cedex (France); Angulo, J.F. [DSV, IRCM, SRO, Laboratoire de Genetique de la Radiosensibilite, F-92265 Fontenay aux Roses (France)

    2009-06-15

    Low dose and non-targeted effect studies continue to attract the attention of a growing number of radiobiologists. Experimental setups based on light ion microbeams constitute a tool of choice for this kind of investigations. However, a careful attention must be given to experimental conditions, as setup-induced stress levels should be well below those induced by the irradiation itself. Here, we present the current status of the single-particle microbeam facility that has been developed these last years at the nuclear microprobe of Saclay. The driving idea was to build a facility in which local irradiation studies are performed in an environment close to cellular biology standards. This facility includes unique features, such as (i) a compact setup that allows easy access and vertical irradiation mode, (ii) a collimated beam that can be mechanically positioned under the desired cells at a very fast speed, avoiding the requirement of a focusing element and (iii) a controlled environment (temperature, CO{sub 2}, humidity) that allows performing of very long term experiments on cultured cells. Fluorescent techniques are implemented and permit in situ monitoring of cellular responses to irradiations. Several radiobiological studies are already underway and this will be illustrated with recent results regarding DNA damage and reactive oxygen species signaling time courses following targeted irradiations.

  17. Quasi-exact evaluation of time domain MFIE MOT matrix elements

    KAUST Repository

    Shi, Yifei

    2013-07-01

    A previously proposed quasi-exact scheme for evaluating matrix elements resulting from the marching-on-in-time (MOT) discretization of the time domain electric field integral equation (EFIE) is extended to matrix entries resulting from the discretization of its magnetic field integral equation (MFIE) counterpart. Numerical results demonstrate the accuracy of the scheme as well as the late-time stability of the resulting MOT-MFIE solver. © 2013 IEEE.

  18. Method of computer algebraic calculation of the matrix elements in the second quantization language

    International Nuclear Information System (INIS)

    Gotoh, Masashi; Mori, Kazuhide; Itoh, Reikichi

    1995-01-01

    An automated method by the algebraic programming language REDUCE3 for specifying the matrix elements expressed in second quantization language is presented and then applied to the case of the matrix elements in the TDHF theory. This program works in a very straightforward way by commuting the electron creation and annihilation operator (a † and a) until these operators have completely vanished from the expression of the matrix element under the appropriate elimination conditions. An improved method using singlet generators of unitary transformations in the place of the electron creation and annihilation operators is also presented. This improvement reduces the time and memory required for the calculation. These methods will make programming in the field of quantum chemistry much easier. 11 refs., 1 tab

  19. Matrix elements for level shifts and widths of hydrogenic levels in ion-surface interactions

    Energy Technology Data Exchange (ETDEWEB)

    Thumm, U.; Kuerpick, P.

    1996-05-01

    The authors present a derivation of basic one-electron matrix elements involved in the ion-metal surface scattering theory. Their method allows for the convenient generation of matrix elements for high principal quantum numbers of the projectile states and thus provides basic building blocks for the ab-initio description of highly charged ion-surface interactions. The matrix elements related to the energy shifts can be evaluated for an arbitrary one-dimensional potential therefore allowing the inclusion of electronic and nuclear self-image potentials. The authors extend these concepts to wave functions generated from an arbitrary one-dimensional surface potential and show applications to various surface potentials, projectile nuclear charges and hydrogenic levels.

  20. Local bulk S-matrix elements and conformal field theory singularities

    CERN Document Server

    Gary, Michael; Penedones, Joao

    2009-01-01

    We give a procedure for deriving certain bulk S-matrix elements from corresponding boundary correlators. These are computed in the plane wave limit, via an explicit construction of certain boundary sources that give bulk wavepackets. A critical role is played by a specific singular behavior of the lorentzian boundary correlators. It is shown in examples how correlators derived from the bulk supergravity exhibit the appropriate singular structure, and reproduce the corresponding S-matrix elements. This construction thus provides a nontrivial test for whether a given boundary conformal field theory can reproduce bulk physics, and where it does, supplies a prescription to extract bulk S-matrix elements in the plane wave limit.

  1. Temperature dependent electron Lande g-factor and interband matrix element in GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Huebner, Jens; Doehrmann, Stefanie; Haegele, Daniel; Oestreich, Michael [Institute for Solid State Physics, Gottfried Wilhelm Leibniz University Hannover (Germany)

    2007-07-01

    High precision measurements of the electron Lande g-factor in GaAs are presented using spin quantum beat spectroscopy at low excitation densities and temperatures ranging from 2.6 to 300 K. Influences of nuclear spin polarization at low temperatures have been fully compensated. Comparing these measurements with available data for the temperature dependent effective mass reveals an unexpected strong temperature dependence of the interband matrix element and resolves a long lasting discrepancy between experiment and kp - theory. The strong decrease of the interband matrix element with increasing temperature is explained by phonon induced fluctuations of the interatomic spacing and adiabatic following of the electrons.

  2. Axial-Current Matrix Elements in Light Nuclei from Lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Savage, Martin [Univ. of Washington, Seattle, WA (United States); Shanahan, Phiala E. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Tiburzi, Brian C. [Univ. of Maryland, College Park, MD (United States); Wagman, Michael L. [Univ. of Washington, Seattle, WA (United States); Winter, Frank T. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Beane, Silas [Univ. of New Hampshire, Durham, NH (United States); Chang, Emmanuel [Univ. of Washington, Seattle, WA (United States); Davoudi, Zohreh; Detmold, William [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Orginos, Konstantinos [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); College of William and Mary, Williamsburg, VA (United States)

    2016-12-01

    I present results from the first lattice QCD calculations of axial-current matrix elements in light nuclei, performed by the NPLQCD collaboration. Precision calculations of these matrix elements, and the subsequent extraction of multi-nucleon axial-current operators, are essential in refining theoretical predictions of the proton-proton fusion cross section, neutrino-nucleus cross sections and $\\beta\\beta$-decay rates of nuclei. In addition, they are expected to shed light on the phenomenological quenching of $g_A$ that is required in nuclear many-body calculations.

  3. The two-mass contribution to the three-loop pure singlet operator matrix element

    Science.gov (United States)

    Ablinger, J.; Blümlein, J.; De Freitas, A.; Schneider, C.; Schönwald, K.

    2018-02-01

    We present the two-mass QCD contributions to the pure singlet operator matrix element at three loop order in x-space. These terms are relevant for calculating the structure function F2 (x ,Q2) at O (αs3) as well as for the matching relations in the variable flavor number scheme and the heavy quark distribution functions at the same order. The result for the operator matrix element is given in terms of generalized iterated integrals that include square root letters in the alphabet, depending also on the mass ratio through the main argument. Numerical results are presented.

  4. Two-loop QED operator matrix elements with massive external fermion lines

    Energy Technology Data Exchange (ETDEWEB)

    Bluemlein, Johannes [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Freitas, Abilio de [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Universidad Simon Bolivar, Caracas (Venezuela). Dept. de Fisica; Neerven, Wilhelmus van [Leiden Univ. (Netherlands). Institut-Lorentz

    2011-07-15

    The two-loop massive operator matrix elements for the fermionic local twist-2 operators with external massive fermion lines in Quantum Electrodynamics (QED) are calculated up to the constant terms in the dimensional parameter {epsilon}=D-4. We investigate the hypothesis of F. A. Berends et al. (1988) that the 2-loop QED initial state corrections to e{sup +}e{sup -} annihilation into a virtual neutral gauge boson, except power corrections of O((m{sup 2}{sub f}/s){sup k}), k {>=} 1, can be represented in terms of these matrix elements and the massless 2-loop Wilson coefficients of the Drell-Yan process. (orig.)

  5. The two-mass contribution to the three-loop pure singlet operator matrix element

    Energy Technology Data Exchange (ETDEWEB)

    Ablinger, J.; Schneider, C. [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); Bluemlein, J.; Freitas, A. de; Schoenwald, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

    2017-11-15

    We present the two-mass QCD contributions to the pure singlet operator matrix element at three loop order in x-space. These terms are relevant for calculating the structure function F{sub 2}(x,Q{sup 2}) at O(α{sup 3}{sub s}) as well as for the matching relations in the variable flavor number scheme and the heavy quark distribution functions at the same order. The result for the operator matrix element is given in terms of generalized iterated integrals that include square root letters in the alphabet, depending also on the mass ratio through the main argument. Numerical results are presented.

  6. Online Characterisation of Mineral Dust Aerosol by Single Particle Mass Spectrometry: Mineralogical Signatures of Potential Source Areas in North Africa.

    Science.gov (United States)

    Marsden, N. A.; Allan, J. D.; Flynn, M.; Ullrich, R.; Moehler, O.; Coe, H.

    2017-12-01

    The mineralogy of individual dust particles is important for atmospheric processes because mineralogy influences optical properties, their potential to act as ice nucleating particles (INP) and geochemical cycling of elements to the ocean. Bulk mineralogy of transported mineral dust has been shown to be a reflection of the source area and size fractionation during transport. Online characterisation of single particle mineralogy is highly desirable as the composition of individual particles can be reported at a temporal resolution that is relevant to atmospheric processes. Single particle mass spectrometry (SPMS) has indentified and characterised the composition of ambient dust particles but is hampered by matrix effects that result in a non-quantatative measurement of composition. The work presented describes a comparison of mass spectral characteristics of sub 2.5μm particle fractions generated from; i) nominally pure samples from the clay mineral society (CMS), ii) soil samples collected from potential source areas in North Africa and iii) ambient measurement of transported African dust made at the Cape Verde Islands. Using a novel approach to analyse the mass spectra, the distinct characteristics of the various dust samples are obtained from the online measurements. Using this technique it was observed that dust generated from sources on the North West Margin of the Sahara Desert have distinct characteristics of illite in contrast to the kaolinitic characteristics of dust generated from sources in the Sahel. These methods offer great potential for describing the hourly variation in the source and mineralogy of transported mineral dust and the online differentiation of mineral phase in multi-mineralic dust samples.

  7. Brightness calibrates particle size in single particle fluorescence imaging.

    Science.gov (United States)

    Liu, Zhihe; Sun, Zezhou; Di, Weihua; Qin, Weiping; Yuan, Zhen; Wu, Changfeng

    2015-04-01

    This Letter provides a novel approach to quantify the particle sizes of highly bright semiconductor polymer dots (Pdots) for single-particle imaging and photobleaching studies. A quadratic dependence of single-particle brightness on particle size was determined by single-particle fluorescence imaging and intensity statistics. In terms of the same imaging conditions, the particle diameter can be quantified by comparing the individual brightness intensity with associated calibration curve. Based on this sizing method, photobleaching trajectories and overall photon counts emitted by single particles were analyzed. It is found that photobleaching rate constants of different sized Pdots are not strongly dependent on particle diameter except the sparsely occurring fluorescence blinking in certain dim particles and the rapid photobleaching component in some bright particles. The overall photon counts increase with increasing particle diameter. However, those larger than 30 nm deviate away from the increasing tendency. These results reveal the significance of selecting appropriate Pdots (≤30  nm) for single-particle imaging and tracking applications.

  8. 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

  9. 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.

  10. Good quasiclassical dipole matrix elements for discrete states in nonhydrogenic ions

    International Nuclear Information System (INIS)

    Kwato Njock, M.G.; Lagmago Kamta, G.; Nana Engo, S.G.; Oumarou, B.; Ntamack, G.E.

    1997-06-01

    By using nonrelativistic Good's wave functions, in which the quantum-defect is included, GWKB dipole radial matrix elements are derived in the length and velocity gauges. The new analytical formulae obtained are expressed in terms of Anger's functions and two new special functions called by us Good's functions of the first and second kinds. Rapidly converging expansion series of these functions, from which numerical values of GWKB radial elements should be obtained most continently are proposed. (author). 14 refs

  11. Single Particle ICP-MS: Advances toward routine analysis of nanomaterials.

    Science.gov (United States)

    Montaño, Manuel D; Olesik, John W; Barber, Angela G; Challis, Katie; Ranville, James F

    2016-07-01

    From its early beginnings in characterizing aerosol particles to its recent applications for investigating natural waters and waste streams, single particle inductively coupled plasma-mass spectrometry (spICP-MS) has proven to be a powerful technique for the detection and characterization of aqueous dispersions of metal-containing nanomaterials. Combining the high-throughput of an ensemble technique with the specificity of a single particle counting technique and the elemental specificity of ICP-MS, spICP-MS is capable of rapidly providing researchers with information pertaining to size, size distribution, particle number concentration, and major elemental composition with minimal sample perturbation. Recently, advances in data acquisition, signal processing, and the implementation of alternative mass analyzers (e.g., time-of-flight) has resulted in a wider breadth of particle analyses and made significant progress toward overcoming many of the challenges in the quantitative analysis of nanoparticles. This review provides an overview of spICP-MS development from a niche technique to application for routine analysis, a discussion of the key issues for quantitative analysis, and examples of its further advancement for analysis of increasingly complex environmental and biological samples. Graphical Abstract Single particle ICP-MS workflow for the analysis of suspended nanoparticles.

  12. Comparison of Material Behavior of Matrix Graphite for HTGR Fuel Elements upon Irradiation: A literature Survey

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Young-Woo; Yeo, Seunghwan; Cho, Moon Sung [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-05-15

    The fuel elements for the HTGRs (i.e., spherical fuel element in pebble-bed type core design and fuel compact in prismatic core design) consists of coated fuel particles dispersed and bonded in a closely packed array within a carbonaceous matrix. This matrix is generally made by mixing fully graphitized natural and needle- or pitchcoke originated powders admixed with a binder material (pitch or phenolic resin), The resulting resinated graphite powder mixture, when compacted, may influence a number of material properties as well as its behavior under neutron irradiation during reactor operation. In the fabrication routes of these two different fuel element forms, different consolidation methods are employed; a quasi-isostatic pressing method is generally adopted to make pebbles while fuel compacts are fabricated by uni-axial pressing mode. The result showed that the hardness values obtained from the two directions showed an anisotropic behavior: The values obtained from the perpendicular section showed much higher micro hardness (176.6±10.5MPa in average) than from the parallel section ((125.6±MPa in average). This anisotropic behavior was concluded to be related to the microstructure of the matrix graphite. This may imply that the uni-axial pressing method to make compacts influence the microstructure of the matrix and hence the material properties of the matrix graphite.

  13. Experimental study of the rearrangements of valence protons and neutrons amongst single-particle orbits during double- β decay in Mo100

    Energy Technology Data Exchange (ETDEWEB)

    Freeman, S. J.; Sharp, D. K.; McAllister, S. A.; Kay, B. P.; Deibel, C. M.; Faestermann, T.; Hertenberger, R.; Mitchell, A. J.; Schiffer, J. P.; Szwec, S. V.; Thomas, J. S.; Wirth, H. -F.

    2017-11-01

    The rearrangements of protons and neutrons amongst the valence single-particle orbitals during double-beta decay of Mo-100 have been determined by measuring cross sections in (d, p), (p, d), (He-3, a), and (He-3, d) reactions on Mo-98,Mo-100 and Ru-100,Ru-102 targets. The deduced nucleon occupancies reveal significant discrepancies when compared with theoretical calculations; the same calculations have previously been used to determine the nuclear matrix element associated with the decay probability of double-beta decay of the Mo-100 system.

  14. Single particle labeling of RNA virus in live cells.

    Science.gov (United States)

    Liu, Xiaohui; Ouyang, Ting; Ouyang, Hongsheng; Ren, Linzhu

    2017-06-02

    Real-time and visual tracking of viral infection is crucial for elucidating the infectious and pathogenesis mechanisms. To track the virus successfully, an efficient labeling method is necessary. In this review, we first discuss the practical labeling techniques for virus tracking in live cells. We then describe the current knowledge of interactions between RNA viruses (especially influenza viruses, immunodeficiency viruses, and Flaviviruses) and host cellular structures, obtained using single particle labeling techniques combined with real-time fluorescence microscopy. Single particle labeling provides an easy system for understanding the RNA virus life cycle. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Exploring Electronic Structure and Order in Polymers via Single-Particle Microresonator Spectroscopy.

    Science.gov (United States)

    Horak, Erik H; Rea, Morgan T; Heylman, Kevin D; Gelbwaser-Klimovsky, David; Saikin, Semion K; Thompson, Blaise J; Kohler, Daniel D; Knapper, Kassandra A; Wei, Wei; Pan, Feng; Gopalan, Padma; Wright, John C; Aspuru-Guzik, Alán; Goldsmith, Randall H

    2018-02-08

    PSS, a transparent electrically conductive polymer, finds widespread use in electronic devices. While empirical efforts have increased conductivity, a detailed understanding of the coupled electronic and morphological landscapes in PEDOT:PSS has lagged due to substantial structural heterogeneity on multiple length-scales. We use an optical microresonator-based absorption spectrometer to perform single-particle measurements, providing a bottom-up examination of electronic structure and morphology ranging from single PEDOT:PSS polymers to nascent films. Using single-particle spectroscopy with complementary theoretical calculations and ultrafast spectroscopy, we demonstrate that PEDOT:PSS displays bulk-like optical response even in single polymers. We find highly ordered PEDOT assemblies with long-range ordering mediated by the insulating PSS matrix and reveal a preferential surface orientation of PEDOT nanocrystallites absent in bulk films with implications for interfacial electronic communication. Our single-particle perspective provides a unique window into the microscopic structure and electronic properties of PEDOT:PSS.

  16. Single-Particle Time-of-Flight Mass Spectrometry Utilizing a Femtosecond Desorption and Ionization Laser.

    Science.gov (United States)

    Zawadowicz, Maria A; Abdelmonem, Ahmed; Mohr, Claudia; Saathoff, Harald; Froyd, Karl D; Murphy, Daniel M; Leisner, Thomas; Cziczo, Daniel J

    2015-12-15

    Single-particle time-of-flight mass spectrometry has now been used since the 1990s to determine particle-to-particle variability and internal mixing state. Instruments commonly use 193 nm excimer or 266 nm frequency-quadrupled Nd:YAG lasers to ablate and ionize particles in a single step. We describe the use of a femtosecond laser system (800 nm wavelength, 100 fs pulse duration) in combination with an existing single-particle time-of-flight mass spectrometer. The goal of this project was to determine the suitability of a femtosecond laser for single-particle studies via direct comparison to the excimer laser (193 nm wavelength, ∼10 ns pulse duration) usually used with the instrument. Laser power, frequency, and polarization were varied to determine the effect on mass spectra. Atmospherically relevant materials that are often used in laboratory studies, ammonium nitrate and sodium chloride, were used for the aerosol. Detection of trace amounts of a heavy metal, lead, in an ammonium nitrate matrix was also investigated. The femtosecond ionization had a large air background not present with the 193 nm excimer and produced more multiply charged ions. Overall, we find that femtosecond laser ablation and ionization of aerosol particles is not radically different than that provided by a 193 nm excimer.

  17. Structure of nuclei with masses 76 and 82 and nuclear matrix elements of neutrinoless double beta decay

    Science.gov (United States)

    Yoshinaga, N.; Yanase, K.; Higashiyama, K.; Teruya, E.; Taguchi, D.

    2018-02-01

    Nuclear shell-model calculations are carried out for isobaric nuclei with masses 76 and 82. Energy spectra and electromagnetic transition rates are compared with the experimental data. Using the wavefunctions thus obtained, nuclear matrix elements for the neutrinoless double beta decay are estimated. In order to investigate the model dependence on the nuclear matrix elements, pair-truncated shell-model calculations are also performed. By comparing the results with those in other models, the nuclear matrix elements are found to be sensitive to the ground-state correlations. In particular, nuclear matrix elements have strong correlations with pairing gaps.

  18. Effects of quenching and partial quenching on QCD penguin matrix elements

    NARCIS (Netherlands)

    Golterman, Maarten; Pallante, Elisabetta

    2002-01-01

    We point out that chiral transformation properties of penguin operators change in the transition from unquenched to (partially) quenched QCD. The way in which this affects the lattice determination of weak matrix elements can be understood in the framework of (partially) quenched chiral perturbation

  19. Finite element implementation and numerical issues of strain gradient plasticity with application to metal matrix composites

    DEFF Research Database (Denmark)

    Frederiksson, Per; Gudmundson, Peter; Mikkelsen, Lars Pilgaard

    2009-01-01

    of quadrilateral type are examined and a few numerical issues are addressed related to these elements as well as to strain gradient plasticity theories in general. Numerical results are presented for an idealized cell model of a metal matrix composite under shear loading. It is shown that strengthening due...

  20. Rigorous constraints on the matrix elements of the energy–momentum tensor

    Directory of Open Access Journals (Sweden)

    Peter Lowdon

    2017-11-01

    Full Text Available The structure of the matrix elements of the energy–momentum tensor play an important role in determining the properties of the form factors A(q2, B(q2 and C(q2 which appear in the Lorentz covariant decomposition of the matrix elements. In this paper we apply a rigorous frame-independent distributional-matching approach to the matrix elements of the Poincaré generators in order to derive constraints on these form factors as q→0. In contrast to the literature, we explicitly demonstrate that the vanishing of the anomalous gravitomagnetic moment B(0 and the condition A(0=1 are independent of one another, and that these constraints are not related to the specific properties or conservation of the individual Poincaré generators themselves, but are in fact a consequence of the physical on-shell requirement of the states in the matrix elements and the manner in which these states transform under Poincaré transformations.

  1. Finite-Element Z-Matrix Calculation of Electron-N2 Collisions

    Science.gov (United States)

    Huo, Winifred M.; Dateo, Christopher E.

    1999-01-01

    The finite element Z-matrix method has been applied in a multichannel study of e-N2 Collisions for electron energies from threshold to 30 eV. General agreement is obtained comparing with existing experimental and theoretical data. Some discrepancies are also found.

  2. Hopping matrix elements from first-principles studies of overlapping fragments : Double exchange parameters in manganites

    NARCIS (Netherlands)

    Stoyanova, A.; Sousa, C.; De Graaf, C.; Broer, R.

    2006-01-01

    We recently developed a scheme for first-principles calculations of hopping matrix elements between localized states in extended systems. We apply the scheme to the determination of double exchange (DE) parameters in lightly hole-doped LaMnO(3) and electron-doped CaMnO(3). DE is one of the important

  3. Nuclear Matrix Elements for the $\\beta\\beta$ Decay of the $^{76}$Ge

    CERN Document Server

    Brown, B A; Horoi, M

    2015-01-01

    The nuclear matrix elements for two-neutrino double-beta (2 n$\\beta\\beta$ ) and zero-neutrino double-beta (0 n$\\beta\\beta$) decay of 76 Ge are evaluated in terms of the configuration interaction (CI), quasiparticle random phase approximation (QRPA) and interacting boson model (IBM) methods. We show that the decomposition of the matrix elements in terms of interemediate states in 74 Ge is dominated by ground state of this nucleus. We consider corrections to the CI results that arise from configurations admixtures involving orbitals out-side of the CI configuration space by using results from QRPA, many-body-perturbation theory, and the connections to related observables. The CI two-neutrino matrix element is reduced due to the inclusion of spin-orbit partners, and to many-body correlations connected with Gamow-Teller beta decay. The CI zero-neutrino matrix element for the heavy neutrino is enhanced due to particle-particle correlations that are connected with the odd-even oscillations in the nuclear masse...

  4. Bessel equation as an operator identity's matrix element in quantum mechanics

    International Nuclear Information System (INIS)

    Fan Hongyi; Li Chao

    2004-01-01

    We study the well-known Bessel equation itself in the framework of quantum mechanics. We show that the Bessel equation is a spontaneous result of an operator identity's matrix element in some definite entangled state representations, which is a fresh look. Application of this operator formalism in the Hankel transform of Laplace equation is presented

  5. Modelling of polypropylene fibre-matrix composites using finite element analysis

    Directory of Open Access Journals (Sweden)

    2009-01-01

    Full Text Available Polypropylene (PP fibre-matrix composites previously prepared and studied experimentally were modelled using finite element analysis (FEA in this work. FEA confirmed that fibre content and composition controlled stress distribution in all-PP composites. The stress concentration at the fibre-matrix interface became greater with less fibre content. Variations in fibre composition were more significant in higher stress regions of the composites. When fibre modulus increased, the stress concentration at the fibres decreased and the shear stress at the fibre-matrix interface became more intense. The ratio between matrix modulus and fibre modulus was important, as was the interfacial stress in reducing premature interfacial failure and increasing mechanical properties. The model demonstrated that with low fibre concentration, there were insufficient fibres to distribute the applied stress. Under these conditions the matrix yielded when the applied stress reached the matrix yield stress, resulting in increased fibre axial stress. When the fibre content was high, there was matrix depletion and stress transfer was inefficient. The predictions of the FEA model were consistent with experimental and published data.

  6. 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

  7. 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,

  8. 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,

  9. 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...

  10. Calibration of single particle sizing velocimeters using photomask reticles

    Science.gov (United States)

    Hirleman, E. D.; Holve, D. J.; Hovenac, E. A.

    1988-01-01

    The development of photomask reticle calibration standards for single particle instruments is discussed. The calibration method studied involves the use of photomask reticles where the particle artifacts are actually disks of chrome thin film in the clear field reticles produced by photolithography and etching processes. Consideration is given to various aspects of theory, design, and performance.

  11. Single particle degrees of freedom in the interacting boson model

    NARCIS (Netherlands)

    Scholten, O.

    1985-01-01

    An overview is given of different aspects of the Interacting Boson Fermion Model, the extension of the interacting Boson Model to odd mass nuclei. The microscopic model for the coupling of single-particle degrees of freedom to the system of bosons is outlined and the interaction between the bosons

  12. 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...

  13. Inert gases in a terra sample - Measurements in six grain-size fractions and two single particles from Lunar 20.

    Science.gov (United States)

    Heymann, D.; Lakatos, S.; Walton, J. R.

    1973-01-01

    Review of the results of inert gas measurements performed on six grain-size fractions and two single particles from four samples of Luna 20 material. Presented and discussed data include the inert gas contents, element and isotope systematics, radiation ages, and Ar-36/Ar-40 systematics.

  14. Determinant representations of spin-operator matrix elements in the XX spin chain and their applications

    Science.gov (United States)

    Wu, Ning

    2018-01-01

    For the one-dimensional spin-1/2 XX model with either periodic or open boundary conditions, it is shown by using a fermionic approach that the matrix element of the spin operator Sj- (Sj-Sj'+ ) between two eigenstates with numbers of excitations n and n +1 (n and n ) can be expressed as the determinant of an appropriate (n +1 )×(n +1 ) matrix whose entries involve the coefficients of the canonical transformations diagonalizing the model. In the special case of a homogeneous periodic XX chain, the matrix element of Sj- reduces to a variant of the Cauchy determinant that can be evaluated analytically to yield a factorized expression. The obtained compact representations of these matrix elements are then applied to two physical scenarios: (i) Nonlinear optical response of molecular aggregates, for which the determinant representation of the transition dipole matrix elements between eigenstates provides a convenient way to calculate the third-order nonlinear responses for aggregates from small to large sizes compared with the optical wavelength; and (ii) real-time dynamics of an interacting Dicke model consisting of a single bosonic mode coupled to a one-dimensional XX spin bath. In this setup, full quantum calculation up to N ≤16 spins for vanishing intrabath coupling shows that the decay of the reduced bosonic occupation number approaches a finite plateau value (in the long-time limit) that depends on the ratio between the number of excitations and the total number of spins. Our results can find useful applications in various "system-bath" systems, with the system part inhomogeneously coupled to an interacting XX chain.

  15. Matrix rings over a principal ideal domain in which elements are nil-clean

    Directory of Open Access Journals (Sweden)

    Somayeh Hadjirezaei

    2016-05-01

    Full Text Available An element of a ring $R$ is called nil-clean if it is the sum of an idempotent and a nilpotent element. A ring is called nil-clean if each of its elements is nil-clean. S. Breaz et al. in [1] proved their main result that the matrix ring $\\mathbb{M}_{ n}(F$ over a field $F$ is nil-clean if and only if $F\\cong \\mathbb{F}_2$, where $\\mathbb{F}_2$ is the field of two elements. M. T. Ko\\c{s}an et al. generalized this result to a division ring. In this paper, we show that the $n\\times n$ matrix ring over a principal ideal domain $R$ is a nil-clean ring if and only if $R$ is isomorphic to $\\mathbb{F}_2$. Also, we show that the same result is true for the $2\\times 2$ matrix ring over an integral domain $R$. As a consequence, we show that for a commutative ring $R$, if $\\mathbb{M}_{ 2}(R$ is a nil-clean ring, then dim$R=0$ and char${R}/{J(R}=2$.

  16. Model independent analysis of gluonic pole matrix elements and universality of transverse-momentum-dependent fragmentation functions

    NARCIS (Netherlands)

    Gamberg, L. P.; Mukherjee, A.B.; Mulders, P.J.G.

    2011-01-01

    Gluonic pole matrix elements explain the appearance of single spin asymmetries (SSA) in high-energy scattering processes. They involve a combination of operators which are odd under time reversal (T-odd). Such matrix elements appear in principle both for parton distribution functions and parton

  17. Three-body matrix elements for calculations of mean field and exp(S) ground sate correlations

    OpenAIRE

    Mihaila, Bogdan; Heisenberg, Jochen H.

    1999-01-01

    In this document we present our approach to the computation of three-body matrix elements, based on the Urbana family of three-nucleon potentials. The calculations refer only to the necessary matrix elements needed to include the three-nucleon interaction in the manner presented in nucl-th/9912023.

  18. Two-loop operator matrix elements for massive fermionic local twist-2 operators in QED

    International Nuclear Information System (INIS)

    Bluemlein, J.; Freitas, A. de; Universidad Simon Bolivar, Caracas; Neerven, W.L. van

    2011-11-01

    We describe the calculation of the two--loop massive operator matrix elements with massive external fermions in QED. We investigate the factorization of the O(α 2 ) initial state corrections to e + e - annihilation into a virtual boson for large cms energies s >>m 2 e into massive operator matrix elements and the massless Wilson coefficients of the Drell-Yan process adapting the color coefficients to the case of QED, as proposed by F. A. Berends et. al. (Nucl. Phys. B 297 (1988)429). Our calculations show explicitly that the representation proposed there works at one-loop order and up to terms linear in ln (s/m 2 e ) at two-loop order. However, the two-loop constant part contains a few structural terms, which have not been obtained in previous direct calculations. (orig.)

  19. Lattice calculation of hadronic weak matrix elements: the ΔI = 1/2 rule

    International Nuclear Information System (INIS)

    Bernard, C.

    1984-01-01

    A lattice Monte Carlo technique for calculating the matrix elements of weak operators is described. Emphasis is placed on the ΔI = 1/2 rule, which is such a large effect that the significant errors associated with current lattice methods (statistics, finite size, finite lattice spacing, extrapolations in quark mass, etc.) should not disguise the important qualitative features. A detailed exposition of the analytic bases for the calculation is given, and an attempt is made to avoid the questionable phenomenological assumptions (such as some of those inherent in the Penguin approach) which were necessary when matrix elements could not be calculated. The current state of the calculation-in-progress is described. This work is being done in collaboration with A. Soni, T. Draper, G. Hockney, and M. Rushton

  20. Constraining anomalous Higgs boson couplings to the heavy flavor fermions using matrix element techniques

    CERN Document Server

    Gritsan, Andrei V; Schulze, Markus; Xiao, Meng

    2016-01-01

    In this paper we investigate anomalous interactions of the Higgs boson with heavy fermions, employing shapes of kinematic distributions. We study the processes $pp \\to t\\bar{t} + H$, $b\\bar{b} + H$, $tq+H$, and $pp \\to H\\to\\tau^+\\tau^-$, and present applications of event generation, re-weighting techniques for fast simulation of anomalous couplings, as well as matrix element techniques for optimal sensitivity. We extend the MELA technique, which proved to be a powerful matrix element tool for Higgs boson discovery and characterization during Run I of the LHC, and implement all analysis tools in the JHU generator framework. A next-to-leading order QCD description of the $pp \\to t\\bar{t} + H$ process allows us to investigate the performance of MELA in the presence of extra radiation. Finally, projections for LHC measurements through the end of Run III are presented.

  1. Short-distance matrix elements for $D$-meson mixing for 2+1 lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Chia Cheng [Univ. of Illinois, Champaign, IL (United States)

    2015-01-01

    We study the short-distance hadronic matrix elements for D-meson mixing with partially quenched Nf = 2+1 lattice QCD. We use a large set of the MIMD Lattice Computation Collaboration's gauge configurations with a2 tadpole-improved staggered sea quarks and tadpole-improved Lüscher-Weisz gluons. We use the a2 tadpole-improved action for valence light quarks and the Sheikoleslami-Wohlert action with the Fermilab interpretation for the valence charm quark. Our calculation covers the complete set of five operators needed to constrain new physics models for D-meson mixing. We match our matrix elements to the MS-NDR scheme evaluated at 3 GeV. We report values for the Beneke-Buchalla-Greub-Lenz-Nierste choice of evanescent operators.

  2. Study of matrix crack-tilted fiber bundle interaction using caustics and finite element method.

    Science.gov (United States)

    Hao, Wenfeng; Zhu, Jianguo; Zhu, Qi; Yuan, Yanan

    2016-02-01

    In this work, the interaction between the matrix crack and a tilted fiber bundle was investigated via caustics and the finite element method (FEM). First, the caustic patterns at the crack tip with different distances from the tilted fiber were obtained and the stress intensity factors were extracted from the geometry of the caustic patterns. Subsequently, the shielding effect of the fiber bundle in front of the crack tip was analyzed. Furthermore, the interaction between the matrix crack and the broken fiber bundle was discussed. Finally, a finite element simulation was carried out using ABAQUS to verify the experimental results. The results demonstrate that the stress intensity factors extracted from caustic experiments are in excellent agreement with the data calculated by FEM.

  3. On the estimation of matrix elements for optical transitions in semiconductors

    International Nuclear Information System (INIS)

    Hassan, A.R.

    1992-09-01

    A semi-empirical method is used to calculate the numerical values of the interband momentum matrix elements of the allowed optical transitions in semiconductors. This method is based on the evaluation of the ratio of the two-photon and one-photon absorption coefficients and the compare the result with the corresponding experimental values in a number of semiconductors both for direct and indirect transition processes. The numerical values of the momentum matrix elements are compared with the convenient theoretical calculations available. The result is found to agree fairly well with the corresponding values computed using the k-vector · p-vector perturbation theory. (author). 19 refs, 2 figs, 2 tabs

  4. A Boundary Element-Response Matrix method for criticality diffusion problems in xyz geometry

    International Nuclear Information System (INIS)

    Cossa, G.; Giusti, V.; Montagnini, B.

    2010-01-01

    The Boundary Element-Response Matrix (BERM) method shown in the paper aims to represent an alternative to the Finite Element method in order to solve 3D multigroup diffusion (criticality) problems in xyz geometry. The theory extends the previous work on the diffusion equations in two dimensions and new techniques for the evaluation of the integrals involved in the boundary integral equations, as well as new procedures for solving the resulting linear system, have greatly enhanced the performances of the method. Results show that BERM can achieve an excellent accuracy, still keeping a good computational efficiency.

  5. Matrix elements and transition probabilities of interaction of electromagnetic field with a hydrogen-like atom

    International Nuclear Information System (INIS)

    Rajput, B.S.

    1977-01-01

    Using the reduced expansions of second quantized electromagnetic vector potential operator in terms of irreducible representations of Pioncare group in the interaction Hamiltonian, the exact matrix elements of interaction of electromagnetic field with a hydrogenic atom have been derived and the contributions of transitions for different combinations of angular momentum quantum numbers to the transition probabilities of various lines in Lyman-, Balmer-, and Paschen-series have been computed. (author)

  6. K-M matrix elements and decays of the B meson to J/Psi

    International Nuclear Information System (INIS)

    Wilson, Richard

    2002-01-01

    This talk discusses some of the last work on B meson decays of the CLEO collaboration, which work is, in fact, improvements in precision of much earlier work of the same collaboration. New theoretical developments have enabled us to present much improved numbers on the matrix elements Vcb, and Vub. Also some recent work on the decay of B mesons to J/Psi plus other particles will be briefly presented

  7. Useful extremum principle for the variational calculation of matrix elements. II

    Science.gov (United States)

    Gerjuoy, E.; Rosenberg, L.; Spruch, L.

    1975-01-01

    Recent work (Gerjuoy et al., 1974) on variational principles for diagonal bound state matrix elements of arbitrary Hermitian operators is extended. In particular, it is shown that the previously derived minimum principle for the trial auxiliary function appearing in such variational principles can be constructed using a modified Hamiltonian possessing not heretofore recognized positive definite properties. Thus there is at least one alternative to the particular modified Hamiltonian on which the results of Gerjuoy et al. (1974) originally were based.

  8. Three loop massive operator matrix elements and asymptotic Wilson coefficients with two different masses

    Energy Technology Data Exchange (ETDEWEB)

    Ablinger, J.; Hasselhuhn, A.; Schneider, C. [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); Bluemlein, J.; Freitas, A. de [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Wissbrock, F. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); IHES, Bures-sur-Yvette (France)

    2017-05-15

    Starting at 3-loop order, the massive Wilson coefficients for deep-inelastic scattering and the massive operator matrix elements describing the variable flavor number scheme receive contributions of Feynman diagrams carrying quark lines with two different masses. In the case of the charm and bottom quarks, the usual decoupling of one heavy mass at a time no longer holds, since the ratio of the respective masses, η=m{sup 2}{sub c}/m{sup 2}{sub b}∝1/10, is not small enough. Therefore, the usual variable flavor number scheme (VFNS) has to be generalized. The renormalization procedure in the two-mass case is different from the single mass case derived earlier (I. Bierenbaum, J: Bluemlein, S. Klein, 2009). We present the moments N=2,4 and 6 for all contributing operator matrix elements, expanding in the ratio η. We calculate the analytic results for general values of the Mellin variable N in the flavor non-singlet case, as well as for transversity and the matrix element A{sup (3)}{sub gq}. We also calculate the two-mass scalar integrals of all topologies contributing to the gluonic operator matrix element A{sub gg}. As it turns out, the expansion in η is usually inapplicable for general values of N. We therefore derive the result for general values of the mass ratio. From the single pole terms we derive, now in a two-mass calculation, the corresponding contributions to the 3-loop anomalous dimensions. We introduce a new general class of iterated integrals and study their relations and present special values. The corresponding functions are implemented in computer-algebraic form.

  9. Off-diagonal helicity density matrix elements for vector mesons produced at LEP

    International Nuclear Information System (INIS)

    Anselmino, M.; Bertini, M.; Quintairos, P.

    1997-05-01

    Final state q q-bar interactions may give origin to non zero values of the off-diagonal element ρ 1 of the helicity density matrix of vector mesons produced in e + e - annihilations, as confirmed by recent OPAL data on φ and D * 's. Predictions are given for ρ1,-1 of several mesons produced at large z and small PT, collinear with the parent jet; the values obtained for θ and D * are in agreement with data. (author)

  10. Separation of soft and collinear infrared limits of QCD squared matrix elements

    CERN Document Server

    Nagy, Zoltan; Trócsányi, Z L; Trocsanyi, Zoltan; Somogyi, Gabor; Trocsanyi, Zoltan

    2007-01-01

    We present a simple way of separating the overlap between the soft and collinear factorization formulae of QCD squared matrix elements. We check its validity explicitly for single and double unresolved emissions of tree-level processes. The new method makes possible the definition of helicity-dependent subtraction terms for regularizing the real contributions in computing radiative corrections to QCD jet cross sections. This implies application of Monte Carlo helicity summation in computing higher order corrections.

  11. Three-loop contributions to the gluonic massive operator matrix elements at general values of N

    Energy Technology Data Exchange (ETDEWEB)

    Ablinger, Jakob; Hasselhuhn, Alexander [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Bluemlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); De Freitas, Abilio; Round, Mark; Schneider, Carsten; Wissbrock, Fabian [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Klein, Sebastian [RWTH Aachen Univ. (Germany). Inst. fuer Theoretische Physik E

    2012-12-15

    Recent results on the calculation of 3-loop massive operator matrix elements in case of one and two heavy quark masses are reported. They concern the O(n{sub f}T{sup 2}{sub F}C{sub F,A}) and O(T{sup 2}{sub F}C{sub F,A}) gluonic corrections, two-mass quarkonic moments, and ladder- and Benz-topologies. We also discuss technical aspects of the calculations.

  12. Single-particle response function in finite nuclei

    International Nuclear Information System (INIS)

    Shlomo, S.; Texas A and M Univ., College Station

    1982-01-01

    I derive expressions for the single-particle response (structure) function S(E, q) and its sum rule, (Pauli blocking factor) P(q) = ∫ dE S(E, q), in terms of the Wiqner transforms (WTs) of the single-particle wave functions and the scattering probe sigma(q, r) and discuss the semi-classical phase-space interpretation of the results. For sigma(q, r) = esup(iq x r), I derive simple expressions for S(E, q) and P(q) for finite nuclei within the harmonic-oscillator model and compare the results with the well-known results of the Fermi-gas model. (orig.)

  13. Particle segmentation algorithm for flexible single particle reconstruction.

    Science.gov (United States)

    Zhou, Qiang; Zhou, Niyun; Wang, Hong-Wei

    2017-01-01

    As single particle cryo-electron microscopy has evolved to a new era of atomic resolution, sample heterogeneity still imposes a major limit to the resolution of many macromolecular complexes, especially those with continuous conformational flexibility. Here, we describe a particle segmentation algorithm towards solving structures of molecules composed of several parts that are relatively flexible with each other. In this algorithm, the different parts of a target molecule are segmented from raw images according to their alignment information obtained from a preliminary 3D reconstruction and are subjected to single particle processing in an iterative manner. This algorithm was tested on both simulated and experimental data and showed improvement of 3D reconstruction resolution of each segmented part of the molecule than that of the entire molecule.

  14. Single-particle cryo-electron microscopy of macromolecular complexes.

    Science.gov (United States)

    Skiniotis, Georgios; Southworth, Daniel R

    2016-02-01

    Recent technological breakthroughs in image acquisition have enabled single-particle cryo-electron microscopy (cryo-EM) to achieve near-atomic resolution structural information for biological complexes. The improvements in image quality coupled with powerful computational methods for sorting distinct particle populations now also allow the determination of compositional and conformational ensembles, thereby providing key insights into macromolecular function. However, the inherent instability and dynamic nature of biological assemblies remain a tremendous challenge that often requires tailored approaches for successful implementation of the methodology. Here, we briefly describe the fundamentals of single-particle cryo-EM with an emphasis on covering the breadth of techniques and approaches, including low- and high-resolution methods, aiming to illustrate specific steps that are crucial for obtaining structural information by this method. © 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.

  15. Single Particle Orientation and Rotational Tracking (SPORT) in biophysical studies

    Science.gov (United States)

    Gu, Yan; Ha, Ji Won; Augspurger, Ashley E.; Chen, Kuangcai; Zhu, Shaobin; Fang, Ning

    2013-10-01

    The single particle orientation and rotational tracking (SPORT) techniques have seen rapid development in the past 5 years. Recent technical advances have greatly expanded the applicability of SPORT in biophysical studies. In this feature article, we survey the current development of SPORT and discuss its potential applications in biophysics, including cellular membrane processes and intracellular transport.The single particle orientation and rotational tracking (SPORT) techniques have seen rapid development in the past 5 years. Recent technical advances have greatly expanded the applicability of SPORT in biophysical studies. In this feature article, we survey the current development of SPORT and discuss its potential applications in biophysics, including cellular membrane processes and intracellular transport. Electronic supplementary information (ESI) available: Three supplementary movies and an experimental section. See DOI: 10.1039/c3nr02254d

  16. Exact analytic asymptotic formulae for continuum distorted-wave matrix elements

    International Nuclear Information System (INIS)

    Brown, G.J.N.; Crothers, D.S.F.

    1995-01-01

    By parametrizing, and evaluating analytically, an intermediate double integral over radial prolate spheroidal coordinates, we show how the long-range part of a prototype of the two-centre volume integrals which commonly occur in three-body heavy particle rearrangement scattering, may be written in a simple close form as an infinite series of parametric derivatives. Using a complex contour-integral representation of the confluent hypergeometric function, we show how this result may be used to calculate analytically the asymptotic expansions for large positive and large negative time, of continuum distorted-wave matrix elements to all orders of the internuclear distance R. Analysis of the leading term of the resulting infinite series shows that these matrix elements may be adequately represented by only the first few terms of their asymptotic expansions. This is illustrated by comparing graphically the analytical asymptotic expressions with a direct numerical evaluation for specified examples. We demonstrate how the use of these asymptotic expansions in a close-coupling continuum distorted-wave calculation can realize up to a 70% saving in computing time when calculating the probability amplitudes for a given heavy particle trajectory, with a commensurate increase in the accuracy of the calculations. We also indicate how this method includes as a subset the asymptotic forms of eikonal and Born-like matrix elements. (author)

  17. Matrix elements and few-body calculations within the unitary correlation operator method

    International Nuclear Information System (INIS)

    Roth, R.; Hergert, H.; Papakonstantinou, P.

    2005-01-01

    We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges. (orig.)

  18. Matrix elements and few-body calculations within the unitary correlation operator method

    International Nuclear Information System (INIS)

    Roth, R.; Hergert, H.; Papakonstantinou, P.; Neff, T.; Feldmeier, H.

    2005-01-01

    We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges

  19. Energy diffusion in strongly driven quantum chaotic systems: the role of correlations of the matrix elements

    International Nuclear Information System (INIS)

    Elyutin, P V; Rubtsov, A N

    2008-01-01

    The energy evolution of a quantum chaotic system under the perturbation that harmonically depends on time is studied for the case of large perturbation, in which the rate of transition calculated from the Fermi golden rule (FGR) is about or exceeds the frequency of perturbation. For this case, the models of the Hamiltonian with random non-correlated matrix elements demonstrate that the energy evolution retains its diffusive character, but the rate of diffusion increases slower than the square of the magnitude of perturbation, thus destroying the quantum-classical correspondence for the energy diffusion and the energy absorption in the classical limit ℎ → 0. The numerical calculation carried out for a model built from the first principles (the quantum analog of the Pullen-Edmonds oscillator) demonstrates that the evolving energy distribution, apart from the diffusive component, contains a ballistic one with the energy dispersion that is proportional to the square of time. This component originates from the chains of matrix elements with correlated signs and vanishes if the signs of matrix elements are randomized. The presence of the ballistic component formally extends the applicability of the FGR to the non-perturbative domain and restores the quantum-classical correspondence

  20. Single Particle Tracking: Analysis Techniques for Live Cell Nanoscopy

    Science.gov (United States)

    Relich, Peter Kristopher, II

    Single molecule experiments are a set of experiments designed specifically to study the properties of individual molecules. It has only been in the last three decades where single molecule experiments have been applied to the life sciences; where they have been successfully implemented in systems biology for probing the behaviors of sub-cellular mechanisms. The advent and growth of super-resolution techniques in single molecule experiments has made the fundamental behaviors of light and the associated nano-probes a necessary concern amongst life scientists wishing to advance the state of human knowledge in biology. This dissertation disseminates some of the practices learned in experimental live cell microscopy. The topic of single particle tracking is addressed here in a format that is designed for the physicist who embarks upon single molecule studies. Specifically, the focus is on the necessary procedures to generate single particle tracking analysis techniques that can be implemented to answer biological questions. These analysis techniques range from designing and testing a particle tracking algorithm to inferring model parameters once an image has been processed. The intellectual contributions of the author include the techniques in diffusion estimation, localization filtering, and trajectory associations for tracking which will all be discussed in detail in later chapters. The author of this thesis has also contributed to the software development of automated gain calibration, live cell particle simulations, and various single particle tracking packages. Future work includes further evaluation of this laboratory's single particle tracking software, entropy based approaches towards hypothesis validations, and the uncertainty quantification of gain calibration.

  1. 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.

  2. Spatially Resolved Sensitivity of Single-Particle Plasmon Sensors.

    Science.gov (United States)

    Beuwer, Michael A; van Hoof, Bas; Zijlstra, Peter

    2018-03-01

    The high sensitivity of localized surface plasmon resonance sensors to the local refractive index allows for the detection of single-molecule binding events. Though binding events of single objects can be detected by their induced plasmon shift, the broad distribution of observed shifts remains poorly understood. Here, we perform a single-particle study wherein single nanospheres bind to a gold nanorod, and relate the observed plasmon shift to the binding location using correlative microscopy. To achieve this we combine atomic force microscopy to determine the binding location, and single-particle spectroscopy to determine the corresponding plasmon shift. As expected, we find a larger plasmon shift for nanospheres binding at the tip of a rod compared to its sides, in good agreement with numerical calculations. However, we also find a broad distribution of shifts even for spheres that were bound at a similar location to the nanorod. Our correlative approach allows us to disentangle effects of nanoparticle dimensions and binding location, and by comparison to numerical calculations we find that the biggest contributor to this observed spread is the dispersion in nanosphere diameter. These experiments provide insight into the spatial sensitivity and signal-heterogeneity of single-particle plasmon sensors and provides a framework for signal interpretation in sensing applications.

  3. Single Particle Nanoplasmonic Sensing in Individual Nanofluidic Channels.

    Science.gov (United States)

    Fritzsche, Joachim; Albinsson, David; Fritzsche, Michael; Antosiewicz, Tomasz J; Westerlund, Fredrik; Langhammer, Christoph

    2016-12-14

    Nanoplasmonics allows label-free optical sensing and spectroscopy at the single nanoparticle level by exploiting plasmonic excitations in metal nanoparticles. Nanofluidics offers exclusive possibilities for applying and controlling fluid flow and mass transport at the nanoscale and toward nanosized objects. Here, we combine these two concepts in a single device, by integrating single particle nanoplasmonic sensing with nanofluidics using advanced nanofabrication. The developed devices enable on-chip referenced parallel single particle nanoplasmonic sensing inside multiple individual nanofluidic channels with dimensions down to the 100 nm range. Beyond detailed discussion of the nanofabrication, general device characterization, and parallelized single particle plasmonic readout concepts, we demonstrate device function on two examples: (i) in situ measurements of local buffer concentrations inside a nanofluidic channel; (ii) real time binding kinetics of alkanethiol molecules to a single plasmonic nanonatenna sensor in a single nanochannel. Our concept thus provides a powerful solution for controlling mass transport to and from individual (plasmonic) nanoparticles, which in a long-term perspective offers unique opportunities for label-free detection of analyte molecules at low concentrations and for fundamental studies of fluids in extreme confinement.

  4. 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

  5. A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis

    Science.gov (United States)

    Lane, John

    2009-01-01

    A simple 2D M N matrix involving sample preparation enables the microanalyst to peer below the noise floor of element percentages reported by the SEM/EDX (scanning electron microscopy/ energy dispersive x-ray) analysis, thus yielding more meaningful data. Using the example of a 2 3 sample set, there are M = 2 concentration levels of the original mix under test: 10 percent ilmenite (90 percent silica) and 20 percent ilmenite (80 percent silica). For each of these M samples, N = 3 separate SEM/EDX samples were drawn. In this test, ilmenite is the element of interest. By plotting the linear trend of the M sample s known concentration versus the average of the N samples, a much higher resolution of elemental analysis can be performed. The resulting trend also shows how the noise is affecting the data, and at what point (of smaller concentrations) is it impractical to try to extract any further useful data.

  6. Evaluation of Solid Modeling Software for Finite Element Analysis of Woven Ceramic Matrix Composites

    Science.gov (United States)

    Nemeth, Noel N.; Mital, Subodh; Lang, Jerry

    2010-01-01

    Three computer programs, used for the purpose of generating 3-D finite element models of the Repeating Unit Cell (RUC) of a textile, were examined for suitability to model woven Ceramic Matrix Composites (CMCs). The programs evaluated were the open-source available TexGen, the commercially available WiseTex, and the proprietary Composite Material Evaluator (COMATE). A five-harness-satin (5HS) weave for a melt-infiltrated (MI) silicon carbide matrix and silicon carbide fiber was selected as an example problem and the programs were tested for their ability to generate a finite element model of the RUC. The programs were also evaluated for ease-of-use and capability, particularly for the capability to introduce various defect types such as porosity, ply shifting, and nesting of a laminate. Overall, it was found that TexGen and WiseTex were useful for generating solid models of the tow geometry; however, there was a lack of consistency in generating well-conditioned finite element meshes of the tows and matrix. TexGen and WiseTex were both capable of allowing collective and individual shifting of tows within a ply and WiseTex also had a ply nesting capability. TexGen and WiseTex were sufficiently userfriendly and both included a Graphical User Interface (GUI). COMATE was satisfactory in generating a 5HS finite element mesh of an idealized weave geometry but COMATE lacked a GUI and was limited to only 5HS and 8HS weaves compared to the larger amount of weave selections available with TexGen and WiseTex.

  7. 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.

  8. 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

  9. 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.

  10. 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

  11. 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.

  12. Single-particle cryo-EM at crystallographic resolution

    Science.gov (United States)

    Cheng, Yifan

    2015-01-01

    Until only a few years ago, single-particle electron cryo-microscopy (cryo-EM) was usually not the first choice for many structural biologists due to its limited resolution in the range of nanometer to subnanometer. Now, this method rivals X-ray crystallography in terms of resolution and can be used to determine atomic structures of macromolecules that are either refractory to crystallization or difficult to crystallize in specific functional states. In this review, I discuss the recent breakthroughs in both hardware and software that transformed cryo-microscopy, enabling understanding of complex biomolecules and their functions at atomic level. PMID:25910205

  13. Coupled cluster approach to the single-particle Green's function

    International Nuclear Information System (INIS)

    Nooijen, M.; Snijders, J.G.

    1992-01-01

    Diagrammatic and coupled cluster techniques are used to develop an approach to the single-particle Green's function G which concentrates on G directly rather than first approximating the irreducible self-energy and then solving Dyson's equation. As a consequence the ionization and attachment parts of the Green's function satisfy completely decoupled sets of equations. The proposed coupled cluster Green's function method (CCGF) is intimately connected to both coupled cluster linear response theory (CCLRT) and the normal coupled cluster method (NCCM). These relations are discussed in detail

  14. On- and off-resonance radiation-atom-coupling matrix elements involving extended atomic wave functions

    Science.gov (United States)

    Komninos, Yannis; Mercouris, Theodoros; Nicolaides, Cleanthes A.

    2014-01-01

    In continuation of our earlier works, we present results concerning the computation of matrix elements of the multipolar Hamiltonian (MPH) between extended wave functions that are obtained numerically. The choice of the MPH is discussed in connection with the broader issue of the form of radiation-atom (or -molecule) interaction that is appropriate for the systematic solution of various problems of matter-radiation interaction. We derive analytic formulas, in terms of the sine-integral function and spherical Bessel functions of various orders, for the cumulative radial integrals that were obtained and calculated by Komninos, Mercouris, and Nicolaides [Phys. Rev. A 71, 023410 (2005), 10.1103/PhysRevA.71.023410]. This development allows the much faster and more accurate computation of such matrix elements, a fact that enhances the efficiency with which the time-dependent Schrödinger equation is solved nonperturbatively, in the framework of the state-specific expansion approach. The formulas are applicable to the general case where a pair of orbitals with angular parts |ℓ1,m1> and |ℓ2,m2> are coupled radiatively. As a test case, we calculate the matrix elements of the electric field and of the paramagnetic operators for on- and off-resonance transitions, between hydrogenic circular states of high angular momentum, whose quantum numbers are chosen so as to satisfy electric dipole and electric quadrupole selection rules. Because of the nature of their wave function (they are nodeless and the large centrifugal barrier keeps their overwhelming part at large distances from the nucleus), the validity of the electric dipole approximation in various applications where the off-resonance couplings must be considered becomes precarious. For example, for the transition from the circular state with n = 20 to that with n = 21, for which ≈400 a.u., the dipole approximation starts to fail already at XUV wavelengths (λ <125nm).

  15. Measurement of the CKM matrix element vertical stroke Vts vertical stroke 2

    International Nuclear Information System (INIS)

    Unverdorben, Christopher Gerhard

    2015-03-01

    This is the first direct measurement of the CKM matrix element vertical stroke V ts vertical stroke, using data collected by the ATLAS detector in 2012 at √(s)= 8 TeV pp-collisions with a total integrated luminosity of 20.3 fb -1 . The analysis is based on 112 171 reconstructed t anti t candidate events in the lepton+jets channel, having a purity of 90.0 %. 183 t anti t→W + W - b anti s decays are expected (charge conjugation implied), which are available for the extraction of the CKM matrix element vertical stroke V ts vertical stroke 2 . To identify these rare decays, several observables are examined, such as the properties of jets, tracks and of b-quark identification algorithms. Furthermore, the s-quark hadrons K 0 s are considered, reconstructed by a kinematic fit. The best observables are combined in a multivariate analysis, called ''boosted decision trees''. The responses from Monte Carlo simulations are used as templates for a fit to data events yielding a significance value of 0.7σ for t→s+W decays. An upper limit of vertical stroke V ts vertical stroke 2 <1.74 % at 95 % confidence level is set, including all systematic and statistical uncertainties. So this analysis, using a direct measurement of the CKM matrix element vertical stroke V ts vertical stroke 2 , provides the best direct limit on vertical stroke V ts vertical stroke 2 up to now.

  16. The validity of the M-3Y force equivalent G-matrix element for the calculations of the nuclear structure in s-d shell

    International Nuclear Information System (INIS)

    Song Hongqiu; Wang Zixing; Cai Yanhuang; Huang Weizhi

    1985-01-01

    The matrix elements of M-3Y force is adopted as the equivalent G-matrix elements and the Folded Diagram Method is used to calculate the spectra of 18 O and 18 F. The results show that the matrix elements of M-3Y force as the equivalent G-matrix elements are suitable for the micriscopic calculations of the nuclei in s-d shell

  17. Eigenstate thermalization in the two-dimensional transverse field Ising model. II. Off-diagonal matrix elements of observables.

    Science.gov (United States)

    Mondaini, Rubem; Rigol, Marcos

    2017-07-01

    We study the matrix elements of few-body observables, focusing on the off-diagonal ones, in the eigenstates of the two-dimensional transverse field Ising model. By resolving all symmetries, we relate the onset of quantum chaos to the structure of the matrix elements. In particular, we show that a general result of the theory of random matrices, namely, the value 2 of the ratio of variances (diagonal to off-diagonal) of the matrix elements of Hermitian operators, occurs in the quantum chaotic regime. Furthermore, we explore the behavior of the off-diagonal matrix elements of observables as a function of the eigenstate energy differences and show that it is in accordance with the eigenstate thermalization hypothesis ansatz.

  18. Matrix elements of scalar three-electron operators for the atomic f shell

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, J.E. [Univ. of Amsterdam (Netherlands); Judd, B.R. [Johns Hopkins Univ., Baltimore, MD (United States); Crosswhite H.

    1996-01-01

    Tables are provided for the matrix elements of an orthogonal set of Hermitian three-electron operators t{sub i} for the states of the f shell. The t{sub i} are scalar with respect to the total spin S and total orbital angular momentum L, and they are among the effective operators needed to be included in an f-electron Hamiltonian in order to represent the coupling of the ground configuration f{sup N} to excited configurations via the interelectronic Coulomb interaction. 15 refs., 2 tabs.

  19. Spin Density Matrix Elements in exclusive production of ω mesons at Hermes

    Directory of Open Access Journals (Sweden)

    Marianski B.

    2014-03-01

    Full Text Available Spin density matrix elements have been determined for exclusive ω meson production on hydrogen and deuterium targets, in the kinematic region of 1.0 < Q2 < 10.0 GeV2, 3.0 < W < 6.3 GeV and –t' < 0.2 GeV2. The data, from which SDMEs are determined, were accumulated with the HERMES forward spectrometer during the running period of 1996 to 2007 using the 27.6 GeV electron or positron beam of HERA. A sizable contribution of unnatural parity exchange amplitudes is found for exclusive ω meson production.

  20. Weak interaction matrix elements with staggered fermions. I: theory and a trial run

    International Nuclear Information System (INIS)

    Sharpe, S.R.; Patel, A.; Gupta, R.; Guralnik, G.; Kilsup, G.W.

    1986-08-01

    We present results of a preliminary study of the matrix elements of weak interaction operators using staggered fermions. We describe our method for transcribing the weak interaction Hamiltonian onto the lattice. This method preserves exact Ward Identities analogous to those of the continuum. The calculation uses operators involving 0, 1, 2, 3 and 4 gauge links. We present results for all these operators obtained on 8 3 x 16 lattices generated both with the Wilson action (β = 5.6) and an improved action

  1. Many-body correlations of QRPA in nuclear matrix elements of double-beta decay

    International Nuclear Information System (INIS)

    Terasaki, J.

    2015-01-01

    We present two new ideas on the quasiparticle random-phase approximation (QRPA) approach for calculating nuclear matrix elements of double-beta decay. First, it is necessary to calculate overlaps of the QRPA states obtained on the basis of the ground states of different nuclei. We calculate this overlap using quasiboson vacua as the QRPA ground states. Second, we show that two-particle transfer paths are possible to use for the calculation under the closure approximation. A calculation is shown for 150 Nd→ 150 Sm using these two new ideas, and their implication is discussed

  2. Spatially dependent burnup implementation into the nodal program based on the finite element response matrix method

    International Nuclear Information System (INIS)

    Yoriyaz, H.

    1986-01-01

    In this work a spatial burnup scheme and feedback effects has been implemented into the FERM ( 'Finite Element Response Matrix' )program. The spatially dependent neutronic parameters have been considered in three levels: zonewise calculation, assembly wise calculation and pointwise calculation. Flux and power distributions and the multiplication factor were calculated and compared with the results obtained by CITATIOn program. These comparisons showed that processing time in the Ferm code has been hundred of times shorter and no significant difference has been observed in the assembly average power distribution. (Author) [pt

  3. The O(αs3TF2) contributions to the gluonic operator matrix element

    International Nuclear Information System (INIS)

    Ablinger, J.; Schneider, C.; Hasselhuhn, A.; Round, M.; Manteuffel, A. von

    2014-05-01

    The O(α 3 s T 2 F C F (C A )) contributions to the transition matrix element A gg,Q relevant for the variable flavor number scheme at 3-loop order are calculated. The corresponding graphs contain two massive fermion lines of equal mass leading to terms given by inverse binomially weighted sums beyond the usual harmonic sums. In x-space two root-valued letters contribute in the iterated integrals in addition to those forming the harmonic polylogarithms. We outline technical details needed in the calculation of graphs of this type, which are as well of importance in the case of two different internal massive lines.

  4. Number-conserving random phase approximation with analytically integrated matrix elements

    International Nuclear Information System (INIS)

    Kyotoku, M.; Schmid, K.W.; Gruemmer, F.; Faessler, A.

    1990-01-01

    In the present paper a number conserving random phase approximation is derived as a special case of the recently developed random phase approximation in general symmetry projected quasiparticle mean fields. All the occurring integrals induced by the number projection are performed analytically after writing the various overlap and energy matrices in the random phase approximation equation as polynomials in the gauge angle. In the limit of a large number of particles the well-known pairing vibration matrix elements are recovered. We also present a new analytically number projected variational equation for the number conserving pairing problem

  5. The matrix element for radiative Bhabha scattering in the forward direction

    International Nuclear Information System (INIS)

    Kleiss, R.

    1993-09-01

    We present an approximation to the matrix element for the process e + e - →e + e - γ, appropriate to the situation where one or both of the fermions are scattered over very small angles. The leading terms in the situation where all scattering angles are small contains not only terms quadratic in the electron mass, but also quartic and even sextic terms must be included. Special attention is devoted to the numerical stability of the resultant expression. Its relation to several existing formulae is discussed. (orig.)

  6. Development of a diffuse element matrix in 'planar' technology. A particular application: logical gate with coupled emitter

    International Nuclear Information System (INIS)

    Rousseau, P.

    1968-01-01

    In a first part, after a brief recall concerning 'planar' technology we discuss the various parasitic elements associated with integrated circuits components. Mathematical formulae of these elements are derived. In a second part, we present a matrix of 22 transistors and 12 resistors which has been realized. This matrix enables the integration of the major part of nuclear circuits. Some of the obtained circuits are shown, particularly an emitter coupled logic gate which presents good electrical behaviour. (author) [fr

  7. Measurement of the top quark mass in the lepton+jets final state with the matrix element method

    Energy Technology Data Exchange (ETDEWEB)

    Abazov, V.M.; Abbott, B.; Abolins, M.; Acharya, B.S.; Adams, M.; Adams, T.; Agelou, M.; Aguilo, E.; Ahn, S.H.; Ahsan, M.; Alexeev, G.D.; /Buenos Aires U. /Rio de Janeiro,

    2006-09-01

    We present a measurement of the top quark mass with the Matrix Element method in the lepton+jets final state. As the energy scale for calorimeter jets represents the dominant source of systematic uncertainty, the Matrix Element likelihood is extended by an additional parameter, which is defined as a global multiplicative factor applied to the standard energy scale. The top quark mass is obtained from a fit that yields the combined statistical and systematic jet energy scale uncertainty.

  8. Description of Changes in Crystal Orientations by the Elements of Logarithm of a Rotation Matrix

    Directory of Open Access Journals (Sweden)

    Susumu Onaka

    2017-01-01

    Full Text Available The logarithm ln⁡R of rotation matrix R is a skew symmetric tensor consisting of three independent elements of real numbers. In addition to the Euler angles and the axis/angle pair, the elements of ln⁡R called the log angles are also the set of three parameters of R. In this paper, we will show that the concept of the log angles is also useful to discuss changes in crystal orientations. The changes in R as a function of the position are given by the changes in the log angles. As an example, orientation changes caused by arrays of dislocations in a plastically deformed Cu single crystal are discussed.

  9. High resolution single particle refinement in EMAN2.1.

    Science.gov (United States)

    Bell, James M; Chen, Muyuan; Baldwin, Philip R; Ludtke, Steven J

    2016-05-01

    EMAN2.1 is a complete image processing suite for quantitative analysis of grayscale images, with a primary focus on transmission electron microscopy, with complete workflows for performing high resolution single particle reconstruction, 2-D and 3-D heterogeneity analysis, random conical tilt reconstruction and subtomogram averaging, among other tasks. In this manuscript we provide the first detailed description of the high resolution single particle analysis pipeline and the philosophy behind its approach to the reconstruction problem. High resolution refinement is a fully automated process, and involves an advanced set of heuristics to select optimal algorithms for each specific refinement task. A gold standard FSC is produced automatically as part of refinement, providing a robust resolution estimate for the final map, and this is used to optimally filter the final CTF phase and amplitude corrected structure. Additional methods are in-place to reduce model bias during refinement, and to permit cross-validation using other computational methods. Copyright © 2016 Elsevier Inc. All rights reserved.

  10. Single-particle absorption spectroscopy by photothermal contrast.

    Science.gov (United States)

    Yorulmaz, Mustafa; Nizzero, Sara; Hoggard, Anneli; Wang, Lin-Yung; Cai, Yi-Yu; Su, Man-Nung; Chang, Wei-Shun; Link, Stephan

    2015-05-13

    Removing effects of sample heterogeneity through single-molecule and single-particle techniques has advanced many fields. While background free luminescence and scattering spectroscopy is widely used, recording the absorption spectrum only is rather difficult. Here we present an approach capable of recording pure absorption spectra of individual nanostructures. We demonstrate the implementation of single-particle absorption spectroscopy on strongly scattering plasmonic nanoparticles by combining photothermal microscopy with a supercontinuum laser and an innovative calibration procedure that accounts for chromatic aberrations and wavelength-dependent excitation powers. Comparison of the absorption spectra to the scattering spectra of the same individual gold nanoparticles reveals the blueshift of the absorption spectra, as predicted by Mie theory but previously not detectable in extinction measurements that measure the sum of absorption and scattering. By covering a wavelength range of 300 nm, we are furthermore able to record absorption spectra of single gold nanorods with different aspect ratios. We find that the spectral shift between absorption and scattering for the longitudinal plasmon resonance decreases as a function of nanorod aspect ratio, which is in agreement with simulations.

  11. A theorem on the single particle energy in a Fermi gas with interaction

    NARCIS (Netherlands)

    Hugenholtz, N.M.; Hove, Léon van

    1958-01-01

    This paper investigates single particle properties in a Fermi gas with interaction at the absolute zero of temperature. In such a system a single particle energy has only a meaning for particles of momentum k close to the Fermi momentum kF. These single particle states are metastable with a

  12. Ab initio calculation of vibrational dipole moment matrix elements. Pt.1

    International Nuclear Information System (INIS)

    Cantarella, E.; Culot, F.; Lievin, J.

    1992-01-01

    This paper is the first part of a series devoted to the ab initio calculation of some vibrational properties helpful in the interpretation of high resolution spectroscopy, atmospherical and astrophysical data. An ab initio method of calculation of the vibrational transition energies and dipole moment matrix elements is described and analyzed. The main features of this method are the resolution of both electronic and vibrational problems by analytical variational techniques and the representation of the potential energy and dipole moment hypersurfaces as Taylor's series expansions in normal coordinates up to the fourth order. The dipole moment matrix elements are then evaluated by simple analytical formulae. In this first paper, some of the approximations inherent to the methodology are systematically analyzed on the basis of results obtained for diatomic molecules (BeH, HF, NH and NO) with a comparison to experimental and other theoretical results found in the literature. The dependence on the results of the effects of electrical and mechanical anharmonicities, electron correlation and basis set dependencies are investigated. The applicability of the method to small polyatomic systems is discussed in the second paper of this series, on the basis of test calculations on the water molecule

  13. Measurement of single top quark production at D0 using a matrix element method

    Energy Technology Data Exchange (ETDEWEB)

    Mitrevski, Jovan Pavle [Columbia Univ., New York, NY (United States)

    2007-01-01

    Until now, the top quark has only been observed produced in pairs, by the strong force. According to the standard model, it can also be produced singly, via an electroweak interaction. Top quarks produced this way provide powerful ways to test the charged-current electroweak interactions of the top quark, to measure |Vtb|, and to search for physics beyond the standard model. This thesis describes the application of the matrix element analysis technique to the search for single top quark production with the D0 detector using 0.9 fb-1 of Run II data. From a comparison of the matrix element discriminants between data and the background model, assuming a Standard Model s-channel to t-channel cross section ratio of σst = 0.44, we measure the single top quark production cross section: σ(p$\\bar{p}$ → tb + X, tqb + X) = 4.8$-1.4\\atop{+1.6}$ pb. This result has a p-value of 0.08%, corresponding to a 3.2 standard deviation Gaussian equivalent significance.

  14. An experimentalist's guide to the matrix element in angle resolved photoemission

    International Nuclear Information System (INIS)

    Moser, Simon

    2017-01-01

    Highlights: • An introduction to the art of angle resolved photoemission is presented. • Matrix element effects are described by a nearly free electron final state model. • ARPES spectral weight of a Bloch band can be calculated from the Fourier transform of its Wannier orbital. • Experimental handedness and improper polarization introduce dichroism. • Instructive showcases from modern ARPES are discussed in detail. - Abstract: Angle resolved photoemission spectroscopy (ARPES) is commonly known as a powerful probe of the one-electron removal spectral function in ordered solid state. With increasing efficiency of light sources and spectrometers, experiments over a wide range of emission angles become more and more common. Consequently, the angular variation of ARPES spectral weight – often times termed “matrix element effect” – enters as an additional source of information. In this tutorial, we develop a simple but instructive free electron final state approach based on the three-step model to describe the intensity distribution in ARPES. We find a compact expression showing that the ARPES spectral weight of a given Bloch band is essentially determined by the momentum distribution (the Fourier transform) of its associated Wannier orbital – times a polarization dependent pre-factor. While the former is giving direct information on the symmetry and shape of the electronic wave function, the latter can give rise to surprising geometric effects. We discuss a variety of modern and instructive experimental showcases for which this simplistic formalism works astonishingly well and discuss the limits of this approach.

  15. Overcoming Matrix Effects in a Complex Sample: Analysis of Multiple Elements in Multivitamins by Atomic Absorption Spectroscopy

    Science.gov (United States)

    Arnold, Randy J.; Arndt, Brett; Blaser, Emilia; Blosser, Chris; Caulton, Dana; Chung, Won Sog; Fiorenza, Garrett; Heath, Wyatt; Jacobs, Alex; Kahng, Eunice; Koh, Eun; Le, Thao; Mandla, Kyle; McCory, Chelsey; Newman, Laura; Pithadia, Amit; Reckelhoff, Anna; Rheinhardt, Joseph; Skljarevski, Sonja; Stuart, Jordyn; Taylor, Cassie; Thomas, Scott; Tse, Kyle; Wall, Rachel; Warkentien, Chad

    2011-01-01

    A multivitamin tablet and liquid are analyzed for the elements calcium, magnesium, iron, zinc, copper, and manganese using atomic absorption spectrometry. Linear calibration and standard addition are used for all elements except calcium, allowing for an estimate of the matrix effects encountered for this complex sample. Sample preparation using…

  16. 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.

  17. Recognition and separation of single particles with size variation by statistical analysis of their images.

    Science.gov (United States)

    White, Helen E; Saibil, Helen R; Ignatiou, Athanasios; Orlova, Elena V

    2004-02-13

    Macromolecules may occupy conformations with structural differences that cannot be resolved biochemically. The separation of mixed molecular populations is a pressing problem in single-particle analysis. Until recently, the task of distinguishing small structural variations was intractable, but developments in cryo-electron microscopy hardware and software now make it possible to address this problem. We have developed a general strategy for recognizing and separating structures of variable size from cryo-electron micrographs of single particles. The method uses a combination of statistical analysis and projection matching to multiple models. Identification of size variations by multivariate statistical analysis was used to do an initial separation of the data and generate starting models by angular reconstitution. Refinement was performed using alternate projection matching to models and angular reconstitution of the separated subsets. The approach has been successful at intermediate resolution, taking it within range of resolving secondary structure elements of proteins. Analysis of simulated and real data sets is used to illustrate the problems encountered and possible solutions. The strategy developed was used to resolve the structures of two forms of a small heat shock protein (Hsp26) that vary slightly in diameter and subunit packing.

  18. 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.).

  19. Magnetophoretic circuits for digital control of single particles and cells

    Science.gov (United States)

    Lim, Byeonghwa; Reddy, Venu; Hu, Xinghao; Kim, Kunwoo; Jadhav, Mital; Abedini-Nassab, Roozbeh; Noh, Young-Woock; Lim, Yong Taik; Yellen, Benjamin B.; Kim, Cheolgi

    2014-05-01

    The ability to manipulate small fluid droplets, colloidal particles and single cells with the precision and parallelization of modern-day computer hardware has profound applications for biochemical detection, gene sequencing, chemical synthesis and highly parallel analysis of single cells. Drawing inspiration from general circuit theory and magnetic bubble technology, here we demonstrate a class of integrated circuits for executing sequential and parallel, timed operations on an ensemble of single particles and cells. The integrated circuits are constructed from lithographically defined, overlaid patterns of magnetic film and current lines. The magnetic patterns passively control particles similar to electrical conductors, diodes and capacitors. The current lines actively switch particles between different tracks similar to gated electrical transistors. When combined into arrays and driven by a rotating magnetic field clock, these integrated circuits have general multiplexing properties and enable the precise control of magnetizable objects.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms

    Energy Technology Data Exchange (ETDEWEB)

    Ablinger, Jakob; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC); Bluemlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Wissbrock, Fabian [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC)

    2014-02-15

    We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∝30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N element of C. Integrals with a power-like divergence in N-space∝a{sup N}, a element of R, a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.

  5. Matrix elements for the anti B→Xsγ decay at NNLO

    International Nuclear Information System (INIS)

    Schutzmeier, Thomas Paul

    2009-01-01

    In the context of the indirect search for non-standard physics in the flavour sector of the Standard Model (SM), one of the most interesting processes is the rare inclusive anti B→ X s γ decay. On the one hand, being a flavour-changing neutral current, this B decay is sensitive to new physics, as it is loop-suppressed in the SM. On the other hand, it is only mildly affected by non-perturbative effects, and thus allows for precise theoretical predictions in the framework of renormalization-group improved perturbation theory. Accurate measurements as well as precise theoretical predictions with a good control over both perturbative and non-perturbative contributions have to be provided in order to derive stringent constraints on the parameter space of physics beyond the SM. On the experimental side, an outstanding accuracy in the measurement of the anti B→X s γ decay rate has been achieved, which is mainly due the specialized experiments BaBar and Belle at the so-called B factories. To match the small experimental uncertainty, higher order computations within an effective low-energy theory of the SM are mandatory. In fact, next-to-next-to-leading order (NNLO) QCD corrections are required to provide a prediction for the decay rate with the same precision as the measurement. The NNLO evaluation of the anti B→X s γ decay rate has been pursued by various groups over the last decade. The project was completed to a large extent and a first estimate at this level of perturbation theory was obtained in 2006. This prediction, however, lacks important contributions from yet unknown matrix elements, that were estimated from results which are only partially known to date. In this work, we provide a framework for the systematic study of the missing matrix elements at the NNLO. As main results of this thesis, we determine fermionic corrections to the charm quark mass dependent matrix elements of four-quark operators in the effective theory at NNLO. For the first time, the

  6. 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

  7. 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

  8. A modified Finite Element-Transfer Matrix for control design of space structures

    Science.gov (United States)

    Tan, T.-M.; Yousuff, A.; Bahar, L. Y.; Konstandinidis, M.

    1990-01-01

    The Finite Element-Transfer Matrix (FETM) method was developed for reducing the computational efforts involved in structural analysis. While being widely used by structural analysts, this method does, however, have certain limitations, particularly when used for the control design of large flexible structures. In this paper, a new formulation based on the FETM method is presented. The new method effectively overcomes the limitations in the original FETM method, and also allows an easy construction of reduced models that are tailored for the control design. Other advantages of this new method include the ability to extract open loop frequencies and mode shapes with less computation, and simplification of the design procedures for output feedback, constrained compensation, and decentralized control. The development of this new method and the procedures for generating reduced models using this method are described in detail and the role of the reduced models in control design is discussed through an illustrative example.

  9. Measurement of the Top Quark Mass Using the Matrix Element Technique in Dilepton Final States

    CERN Document Server

    Abazov, Victor Mukhamedovich

    2016-08-18

    We present a measurement of the top quark mass in ppbar collisions at a center-of-mass energy of 1.96 TeV at the Fermilab Tevatron collider. The data were collected by the D0 experiment corresponding to an integrated luminosity of 9.7 fb-1. The matrix element technique is applied to ttbar events in the final state containing leptons (electrons or muons) with high transverse momenta and at least two jets. The calibration of the jet energy scale determined in the lepton + jets final state of ttbar decays is applied to jet energies. This correction provides a substantial reduction in systematic uncertainties. We obtain a top quark mass of mt = 173.93 +- 1.84 GeV.

  10. HELAC-Onia: an automatic matrix element generator for heavy quarkonium physics

    CERN Document Server

    Shao, Hua-Sheng

    2013-01-01

    By the virtues of the Dyson-Schwinger equations, we upgrade the published code \\mtt{HELAC} to be capable to calculate the heavy quarkonium helicity amplitudes in the framework of NRQCD factorization, which we dub \\mtt{HELAC-Onia}. We rewrote the original \\mtt{HELAC} to make the new program be able to calculate helicity amplitudes of multi P-wave quarkonium states production at hadron colliders and electron-positron colliders by including new P-wave off-shell currents. Therefore, besides the high efficiencies in computation of multi-leg processes within the Standard Model, \\mtt{HELAC-Onia} is also sufficiently numerical stable in dealing with P-wave quarkonia (e.g. $h_{c,b},\\chi_{c,b}$) and P-wave color-octet intermediate states. To the best of our knowledge, it is a first general-purpose automatic quarkonium matrix elements generator based on recursion relations on the market.

  11. OMC studies for the matrix elements in ββ decay

    Energy Technology Data Exchange (ETDEWEB)

    Zinatulina, D.; Brudanin, V.; Egorov, V.; Shirchenko, M.; Vasiliev, R.; Yyutlandov, I. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Briançon, Ch. [Centre de Spectrometrie Nucleaire et de Spectrometrie de Masse, Universite Paris-Sud-CNRS-IN2P3, 91405 Orsay Campus (France); Petitjean, C. [Paul Scherrer Institute, 5232 Villigen PSI (Switzerland)

    2013-12-30

    Energy and time spectra of gamma-rays following μ-capture in natural Kr, Se, Cd and Sm, as well as isotopic enriched {sup 82}Kr, {sup 76}Se, {sup 106}Cd and {sup 150}Sm, have been measured. Total life-times of muons in different isotopes, as well as partial μ-capture rates to the excited states of {sup 48}Sc, {sup 76}As and {sup 106}Ag, were extracted. These results are discussed in the context of the double-beta decay matrix elements. The data are also compared with data from theoretical calculations and with data from charge-exchange reactions on {sup 48}Ti. It is the first time that μ-capture and charge-exchange reaction data are being compared in the context of ββ decay.

  12. Nucleon distribution apmlitudes and proton decay matrix elements on the lattice

    Energy Technology Data Exchange (ETDEWEB)

    Braun, Vladimir M.; Goeckeler, Meinulf [Regensburg Univ. (Germany). Inst. fuer Theoretische Physik; Horsley, Roger [Edinburgh Univ. (GB). School of Physics] (and others)

    2008-11-15

    Baryon distribution amplitudes (DAs) are crucial for the theory of hard exclusive reactions. We present a calculation of the first few moments of the leading-twist nucleon DA within lattice QCD. In addition we deal with the normalization of the next-to-leading (twist-four) DAs. The matrix elements determining the latter quantities are also responsible for proton decay in Grand Unified Theories. Our lattice evaluation makes use of gauge field configurations generated with two flavors of clover fermions. The relevant operators are renormalized nonperturbatively with the final results given in the MS scheme. We find that the deviation of the leading-twist nucleon DA from its asymptotic form is less pronounced than sometimes claimed in the literature. (orig.)

  13. Quadrupole corrections to matrix elements of transitions in resonant reactions of muonic molecule formation

    International Nuclear Information System (INIS)

    Faifman, M.P.; Strizh, T.A.; Armour, E.A.G.; Harston, M.R.

    1996-01-01

    The calculated resonant formation rates of the muonic molecules DDμ and DTμ are presented. The approach developed earlier for calculating the transition matrix elements in the dipole approximation has been extended to include the quadrupole terms in the multipole expansion of the interaction operator. The calculated dependence of the DTμ formation rates on the energies of the incident Tμ muonic atoms shows that the effect of including the quadrupole correction is to reduce the magnitude of the peak rates by about 20-30% at the different temperatures, compared to those calculated in the dipole approximation. The dependence on temperature for the DDμ formation rates is obtained with the differences between the presented and previous calculations being less than 5%. (orig.)

  14. Minimizing matrix effect by femtosecond laser ablation and ionization in elemental determination.

    Science.gov (United States)

    Zhang, Bochao; He, Miaohong; Hang, Wei; Huang, Benli

    2013-05-07

    Matrix effect is unavoidable in direct solid analysis, which usually is a leading cause of the nonstoichiometric effect in quantitative analysis. In this research, experiments were carried out to study the overall characteristics of atomization and ionization in laser-solid interaction. Both nanosecond (ns) and femtosecond (fs) lasers were applied in a buffer-gas-assisted ionization source coupled with an orthogonal time-of-flight mass spectrometer. Twenty-nine solid standards of ten different matrices, including six metals and four dielectrics, were analyzed. The results indicate that the fs-laser mode offers more stable relative sensitivity coefficients (RSCs) with irradiance higher than 7 × 10(13) W·cm(-2), which could be more reliable in the determination of element composition of solids. The matrix effect is reduced by half when the fs-laser is employed, owing to the fact that the fs-laser ablation and ionization (fs-LAI) incurs an almost heat-free ablation process and creates a dense plasma for the stable ionization.

  15. Single-Particle Cryo-EM and 3D Reconstruction of Hybrid Nanoparticles with Electron-Dense Components.

    Science.gov (United States)

    Yu, Guimei; Yan, Rui; Zhang, Chuan; Mao, Chengde; Jiang, Wen

    2015-10-01

    Single-particle cryo-electron microscopy (cryo-EM), accompanied with 3D reconstruction, is a broadly applicable tool for the structural characterization of macromolecules and nanoparticles. Recently, the cryo-EM field has pushed the limits of this technique to higher resolutions and samples of smaller molecular mass, however, some samples still present hurdles to this technique. Hybrid particles with electron-dense components, which have been studied using single-particle cryo-EM yet with limited success in 3D reconstruction due to the interference caused by electron-dense elements, constitute one group of such challenging samples. To process such hybrid particles, a masking method is developed in this work to adaptively remove pixels arising from electron-dense portions in individual projection images while maintaining maximal biomass signals for subsequent 2D alignment, 3D reconstruction, and iterative refinements. As demonstrated by the success in 3D reconstruction of an octahedron DNA/gold hybrid particle, which has been previously published without a 3D reconstruction, the devised strategy that combines adaptive masking and standard single-particle 3D reconstruction approach has overcome the hurdle of electron-dense elements interference, and is generally applicable to cryo-EM structural characterization of most, if not all, hybrid nanomaterials with electron-dense components. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Numerical Methods Application for Reinforced Concrete Elements-Theoretical Approach for Direct Stiffness Matrix Method

    Directory of Open Access Journals (Sweden)

    Sergiu Ciprian Catinas

    2015-07-01

    Full Text Available A detailed theoretical and practical investigation of the reinforced concrete elements is due to recent techniques and method that are implemented in the construction market. More over a theoretical study is a demand for a better and faster approach nowadays due to rapid development of the calculus technique. The paper above will present a study for implementing in a static calculus the direct stiffness matrix method in order capable to address phenomena related to different stages of loading, rapid change of cross section area and physical properties. The method is a demand due to the fact that in our days the FEM (Finite Element Method is the only alternative to such a calculus and FEM are considered as expensive methods from the time and calculus resources point of view. The main goal in such a method is to create the moment-curvature diagram in the cross section that is analyzed. The paper above will express some of the most important techniques and new ideas as well in order to create the moment curvature graphic in the cross sections considered.

  17. Neutrinoless double-β decay matrix elements in large shell-model spaces with the generator-coordinate method

    Science.gov (United States)

    Jiao, C. F.; Engel, J.; Holt, J. D.

    2017-11-01

    We use the generator-coordinate method (GCM) with realistic shell-model interactions to closely approximate full shell-model calculations of the matrix elements for the neutrinoless double-β decay of 48Ca, 76Ge, and 82Se. We work in one major shell for the first isotope, in the f5 /2p g9 /2 space for the second and third, and finally in two major shells for all three. Our coordinates include not only the usual axial deformation parameter β , but also the triaxiality angle γ and neutron-proton pairing amplitudes. In the smaller model spaces our matrix elements agree well with those of full shell-model diagonalization, suggesting that our Hamiltonian-based GCM captures most of the important valence-space correlations. In two major shells, where exact diagonalization is not currently possible, our matrix elements are only slightly different from those in a single shell.

  18. Elastic-plastic finite element analyses of an unidirectional, 9 vol percent tungsten fiber reinforced copper matrix composite

    Science.gov (United States)

    Sanfeliz, Jose G.

    1993-01-01

    Micromechanical modeling via elastic-plastic finite element analyses were performed to investigate the effects that the residual stresses and the degree of matrix work hardening (i.e., cold-worked, annealed) have upon the behavior of a 9 vol percent, unidirectional W/Cu composite, undergoing tensile loading. The inclusion of the residual stress-containing state as well as the simulated matrix material conditions proved to be significant since the Cu matrix material exhibited plastic deformation, which affected the subsequent tensile response of the composite system. The stresses generated during cooldown to room temperature from the manufacturing temperature were more of a factor on the annealed-matrix composite, since they induced the softened matrix to plastically flow. This event limited the total load-carrying capacity of this matrix-dominated, ductile-ductile type material system. Plastic deformation of the hardened-matrix composite during the thermal cooldown stage was not considerable, therefore, the composite was able to sustain a higher stress before showing any appreciable matrix plasticity. The predicted room temperature, stress-strain response, and deformation stages under both material conditions represented upper and lower bounds characteristic of the composite's tensile behavior. The initial deformation stage for the hardened material condition showed negligible matrix plastic deformation while for the annealed state, its initial deformation stage showed extensive matrix plasticity. Both material conditions exhibited a final deformation stage where the fiber and matrix were straining plastically. The predicted stress-strain results were compared to the experimental, room temperature, tensile stress-strain curve generated from this particular composite system. The analyses indicated that the actual thermal-mechanical state of the composite's Cu matrix, represented by the experimental data, followed the annealed material condition.

  19. The possible test of the calculations of nuclear matrix elements of the (ββ)0ν-decay

    International Nuclear Information System (INIS)

    Bilenky, S.M.; Grifols, J.A.

    2002-01-01

    The existing calculations of the nuclear matrix elements of the neutrinoless double β-decay differ by about a factor three. This uncertainty prevents quantitative interpretation of the results of experiments searching for this process. We suggest here that the observation of the neutrinoless double β-decay of several nuclei could allow to test calculations of the nuclear matrix elements through the comparison of the ratios of the calculated lifetimes with experimental data. It is shown that the ratio of the lifetimes is very sensitive to different models

  20. Single particle raster image analysis of diffusion for particle mixtures.

    Science.gov (United States)

    Longfils, M; Röding, M; Altskär, A; Schuster, E; Lorén, N; Särkkä, A; Rudemo, M

    2018-03-01

    Recently we complemented the raster image correlation spectroscopy (RICS) method of analysing raster images via estimation of the image correlation function with the method single particle raster image analysis (SPRIA). In SPRIA, individual particles are identified and the diffusion coefficient of each particle is estimated by a maximum likelihood method. In this paper, we extend the SPRIA method to analyse mixtures of particles with a finite set of diffusion coefficients in a homogeneous medium. In examples with simulated and experimental data with two and three different diffusion coefficients, we show that SPRIA gives accurate estimates of the diffusion coefficients and their proportions. A simple technique for finding the number of different diffusion coefficients is also suggested. Further, we study the use of RICS for mixtures with two different diffusion coefficents and investigate, by plotting level curves of the correlation function, how large the quotient between diffusion coefficients needs to be in order to allow discrimination between models with one and two diffusion coefficients. We also describe a minor correction (compared to published papers) of the RICS autocorrelation function. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

  1. 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.

  2. Automated single particle detection and tracking for large microscopy datasets.

    Science.gov (United States)

    Wilson, Rhodri S; Yang, Lei; Dun, Alison; Smyth, Annya M; Duncan, Rory R; Rickman, Colin; Lu, Weiping

    2016-05-01

    Recent advances in optical microscopy have enabled the acquisition of very large datasets from living cells with unprecedented spatial and temporal resolutions. Our ability to process these datasets now plays an essential role in order to understand many biological processes. In this paper, we present an automated particle detection algorithm capable of operating in low signal-to-noise fluorescence microscopy environments and handling large datasets. When combined with our particle linking framework, it can provide hitherto intractable quantitative measurements describing the dynamics of large cohorts of cellular components from organelles to single molecules. We begin with validating the performance of our method on synthetic image data, and then extend the validation to include experiment images with ground truth. Finally, we apply the algorithm to two single-particle-tracking photo-activated localization microscopy biological datasets, acquired from living primary cells with very high temporal rates. Our analysis of the dynamics of very large cohorts of 10 000 s of membrane-associated protein molecules show that they behave as if caged in nanodomains. We show that the robustness and efficiency of our method provides a tool for the examination of single-molecule behaviour with unprecedented spatial detail and high acquisition rates.

  3. 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.

  4. Deblurring of class-averaged images in single-particle electron microscopy

    International Nuclear Information System (INIS)

    Park, Wooram; Chirikjian, Gregory S; Madden, Dean R; Rockmore, Daniel N

    2010-01-01

    This paper proposes a method for the deblurring of class-averaged images in single-particle electron microscopy (EM). Since EM images of biological samples are very noisy, the images which are nominally identical projection images are often grouped, aligned and averaged in order to cancel or reduce the background noise. However, the noise in the individual EM images generates errors in the alignment process, which creates an inherent limit on the accuracy of the resulting class averages. This inaccurate class average due to the alignment errors can be viewed as the result of a convolution of an underlying clear image with a blurring function. In this work, we develop a deconvolution method that gives an estimate for the underlying clear image from a blurred class-averaged image using precomputed statistics of misalignment. Since this convolution is over the group of rigid-body motions of the plane, SE(2), we use the Fourier transform for SE(2) in order to convert the convolution into a matrix multiplication in the corresponding Fourier space. For practical implementation we use a Hermite-function-based image modeling technique, because Hermite expansions enable lossless Cartesian-polar coordinate conversion using the Laguerre–Fourier expansions, and Hermite expansion and Laguerre–Fourier expansion retain their structures under the Fourier transform. Based on these mathematical properties, we can obtain the deconvolution of the blurred class average using simple matrix multiplication. Tests of the proposed deconvolution method using synthetic and experimental EM images confirm the performance of our method

  5. Prospects of measuring the CKM matrix element vertical stroke Vts vertical stroke at the LHC

    International Nuclear Information System (INIS)

    Ali, Ahmed; Barreiro, Fernando; Lagouri, Theodota

    2010-05-01

    We study the prospects of measuring the CKM matrix element vertical stroke V ts vertical stroke at the LHC with the top quarks produced in the processes pp→t anti tX and pp→t/ anti tX, and the subsequent decays t→W + s and anti t→W - anti s. To reduce the jet activity in top quark decays, we insist on tagging the W ± leptonically, W ± →l ± ν l (l = e,μ,τ), and analyse the anticipated jet profiles in the signal process t→Ws and the dominant background from the decay t→Wb. To that end, we analyse the V 0 (K 0 and Λ) distributions in the s- and b-quark jets concentrating on the energy and transverse momentum distributions of these particles. The V 0 s emanating from the t→Wb branch have displaced decay vertexes from the interaction point due to the weak decays b→c→s and the b-quark jets are rich in charged leptons. Hence, the absence of secondary vertexes and of the energetic charged leptons in the jet provide additional (b-jet vs. s-jet) discrimination in top quark decays. These distributions are used to train a boosted decision tree (BDT), a technique used successfully in measuring the CKM matrix element vertical stroke V tb vertical stroke in single top production at the Tevatron. Using the BDT classifier, and a variant of it called BDTD, which makes use of decorrelated variables, we calculate the BDT(D)-response functions corresponding to the signal (t→Ws) and background (t→Wb). Detailed simulations undertaken by us with the Monte Carlo generator PYTHIA are used to estimate the background rejection versus signal efficiency for three representative LHC energies √(s)=7 TeV, 10 TeV and 14 TeV, of which only the analysis for the √(s)=14 TeV case is shown in detail. We argue that a benchmark with 10% signal (t→Ws) efficiency and a background (t→Wb) rejection by a factor 10 3 (required due to the anticipated value of the ratio vertical stroke V ts vertical stroke 2 / vertical stroke V tb vertical stroke 2 ≅1.6 x 10 -3 ) can be

  6. Dynamic-stiffness matrix of embedded and pile foundations by indirect boundary-element method

    International Nuclear Information System (INIS)

    Wolf, J.P.; Darbre, G.R.

    1984-01-01

    The boundary-integral equation method is well suited for the calculation of the dynamic-stiffness matrix of foundations embedded in a layered visco-elastic halfspace (or a transmitting boundary of arbitrary shape), which represents an unbounded domain. It also allows pile groups to be analyzed, taking pile-soil-pile interaction into account. The discretization of this boundary-element method is restricted to the structure-soil interface. All trial functions satisfy exactly the field equations and the radiation condition at infinity. In the indirect boundary-element method distributed source loads of initially unknown intensities act on a source line located in the excavated part of the soil and are determined such that the prescribed boundary conditions on the structure-soil interface are satisfied in an average sense. In the two-dimensional case the variables are expanded in a Fourier integral in the wave number domain, while in three dimensions, Fourier series in the circumferential direction and bessel functions of the wave number domain, while in three dimensions, Fourier series in the circumferential direction and Bessel functions of the wave number in the radial direction are selected. Accurate results arise with a small number of parameters of the loads acting on a source line which should coincide with the structure-soil interface. In a parametric study the dynamic-stiffness matrices of rectangular foundations of various aspect ratios embedded in a halfplane and in a layer built-in at its base are calculated. For the halfplane, the spring coefficients for the translational directions hardly depend on the embedment, while the corresponding damping coefficients increase for larger embedments, this tendency being more pronounced in the horizontal direction. (orig.)

  7. Single particle dynamics and nonlinear resonances in circular accelerators

    International Nuclear Information System (INIS)

    Ruth, R.D.

    1985-11-01

    The purpose of this paper is to introduce the reader to single particle dynamics in circular accelerators with an emphasis on nonlinear resonances. We begin with the Hamiltonian and the equations of motion in the neighborhood of the design orbit. In the linear theory this yields linear betatron oscillations about a closed orbit. It is useful then to introduce the action-angle variables of the linear problem. Next we discuss the nonlinear terms which are present in an actual accelerator, and in particular, we motivate the inclusion of sextupoles to cure chromatic effects. To study the effects of the nonlinear terms, we next discuss canonical perturbation theory which leads us to nonlinear resonances. After showing a few examples of perturbation theory, we abandon it when very close to a resonance. This leads to the study of an isolated resonance in one degree of freedom with a 'time'-dependent Hamiltonian. We see the familiar resonance structure in phase space which is simply closed islands when the nonlinear amplitude dependence of the frequency or 'tune' is included. To show the limits of the validity of the isolated resonance approximation, we discuss two criteria for the onset of chaotic motion. Finally, we study an isolated coupling resonance in two degrees of freedom with a 'time'-dependent Hamiltonian and calculate the two invariants in this case. This leads to a surface of section which is a 2-torus in 4-dimensional phase space. However, we show that it remains a 2-torus when projected into particular 3-dimensional subspaces, and thus can be viewed in perspective

  8. 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).

  9. Drift correction of the dissolved signal in single particle ICPMS.

    Science.gov (United States)

    Cornelis, Geert; Rauch, Sebastien

    2016-07-01

    A method is presented where drift, the random fluctuation of the signal intensity, is compensated for based on the estimation of the drift function by a moving average. It was shown using single particle ICPMS (spICPMS) measurements of 10 and 60 nm Au NPs that drift reduces accuracy of spICPMS analysis at the calibration stage and during calculations of the particle size distribution (PSD), but that the present method can again correct the average signal intensity as well as the signal distribution of particle-containing samples skewed by drift. Moreover, deconvolution, a method that models signal distributions of dissolved signals, fails in some cases when using standards and samples affected by drift, but the present method was shown to improve accuracy again. Relatively high particle signals have to be removed prior to drift correction in this procedure, which was done using a 3 × sigma method, and the signals are treated separately and added again. The method can also correct for flicker noise that increases when signal intensity is increased because of drift. The accuracy was improved in many cases when flicker correction was used, but when accurate results were obtained despite drift, the correction procedures did not reduce accuracy. The procedure may be useful to extract results from experimental runs that would otherwise have to be run again. Graphical Abstract A method is presented where a spICP-MS signal affected by drift (left) is corrected (right) by adjusting the local (moving) averages (green) and standard deviations (purple) to the respective values at a reference time (red). In combination with removing particle events (blue) in the case of calibration standards, this method is shown to obtain particle size distributions where that would otherwise be impossible, even when the deconvolution method is used to discriminate dissolved and particle signals.

  10. Crosslinked Functional Polymer Nanowire Formation Along Single Particle Tracks

    International Nuclear Information System (INIS)

    Tagawa, S.

    2006-01-01

    The use of high-energy charged particles has extended to many fields in recent years. In medicine, non-homogeneous energy deposition along an ion trajectory (ion track) plays a crucial role in cancer radiotherapy, allowing for high spatial selectivity in the distribution of the radiation dose. The direct observation and application of ion tracks in media have also attracted interest in materials science, where it is known as nuclear track fabrication. Since the discovery that high-energy particle leave latent tracks in inorganic and organic polymer materials, the technique has also been applied to the production of micro- and nano-sized pores in materials through chemical etching of the tracks. The clear correlation between the etched pore and the characteristics of the incident charged particle has been utilized for measurement of the velocity and mass of the incident particles, and such organic film detectors are widely used in dosimetry, and in particular for galactic cosmic rays in space. The scope of the present paper is the direct nano-structure formation based on crosslinking reactions induced in nano-scale ultra-small spaces of single particle tracks. We have developed the simple one-step formation processes of nanowires without using any chemical etching or refilling processes. The present technique is in striking contrast to the previous 'nuclear track' nanofabrication techniques. According to its high feasibility for the preparation of 1-D nanowires based on 'any' kinds of polymeric materials, the present paper demonstrates the formation of not only simple polymer nanowires but also ceramic and/or multi-segment multi-functional nanowires

  11. Characteristics of tyre dust in polluted air: Studies by single particle mass spectrometry (ATOFMS)

    Science.gov (United States)

    Dall'Osto, Manuel; Beddows, David C. S.; Gietl, Johanna K.; Olatunbosun, Oluremi A.; Yang, Xiaoguang; Harrison, Roy M.

    2014-09-01

    There is a paucity of quantitative knowledge on the contributions of non-exhaust (abrasion and re-suspension) sources to traffic emissions. Abrasive emissions can be broadly categorised as tyre wear, brake wear and road dust/road surface wear. Current research often considers road dust and tyre dust as externally mixed particles, the former mainly composed of mineral matter and the latter solely composed of mainly organic matter and some trace elements. The aim of this work was to characterise tyre wear from both laboratory and field studies by using Aerosol Time-Of-Flight Mass Spectrometry (ATOFMS). Real-time single particle chemical composition was obtained from a set of rubber tyres rotating on a metal surface. Bimodal particle number size distributions peaking at 35 nm and 85 nm were obtained from SMPS/APS measurements over the range 6-20,000 nm. ATOFMS mass spectra of tyre wear in the particle size range 200-3000 nm diameter show peaks due to exo-sulphur compounds, nitrate, Zn and ions of high molecular weight (m/z > 100) attributed to organic polymers. Two large ATOFMS datasets collected from a number of outdoor studies were examined. The former was constituted of 48 road dust samples collected on the roads of London. The latter consisted of ATOFMS ambient air field studies from Europe, overall composed of more than 2,000,000 single particle mass spectra. The majority (95%) of tyre wear particles present in the road dust samples and atmospheric samples are internally mixed with metals (Li, Na, Ca, Fe, Ti), as well as phosphate. It is concluded that the interaction of tyres with the road surface creates particles internally mixed from two sources: tyre rubber and road surface materials. Measurements of the tyre rubber component alone may underestimate the contribution of tyre wear to concentrations of airborne particulate matter. The results presented are especially relevant for urban aerosol source apportionment and PM2.5 exposure assessment.

  12. An approximate method for calculating electron-phonon matrix element of a disordered transition metal and relevant comments on superconductivity

    International Nuclear Information System (INIS)

    Zhang, L.

    1981-08-01

    A method based on the tight-binding approximation is developed to calculate the electron-phonon matrix element for the disordered transition metals. With the method as a basis the experimental Tsub(c) data of the amorphous transition metal superconductors are re-analysed. Some comments on the superconductivity of the disordered materials are given

  13. Comment on ``Valence-bond theory and the evaluation of electronic energy matrix elements between nonorthogonal Slater determinants''

    Science.gov (United States)

    Gallup, G. A.

    1986-07-01

    In a recent article [Phys. Rev. A 31, 2107 (1985)] Leasure and Balint-Kurti claim to give a more efficient algorithm than any previously available for determining matrix elements of the Hamiltonian in valence-bond calculations. Actually, an algorithm of no significant difference and the same efficiency has been available since 1972 and has been applied to valence-bond calculations.

  14. Study of color-octet matrix elements through J/ψ production in e{sup +}e{sup -} annihilation

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yi-Jie; Xu, Guang-Zhi; Zhang, Pan-Pan; Liu, Kui-Yong [Liaoning University, Department of Physics, Shenyang (China); Zhang, Yu-Jie [Beihang University, School of Physics, Beijing (China); CAS Center for Excellence in Particle Physics, Beijing (China)

    2017-09-15

    In this paper, the color-octet long distance matrix elements are studied through the inclusive J/ψ production in e{sup +}e{sup -} annihilation within the framework of non-relativistic QCD factorization. The calculations are up-to next-to-leading order with the radiative and relativistic corrections in the energy region of the B-factory and the near-threshold region of 4.6-5.6 GeV. A constraint of the long distance matrix elements (left angle {sup 1}S{sub 0}{sup 8} right angle, left angle {sup 3}P{sub 0}{sup 8} right angle) is obtained. Through our estimation, the P-wave color-octet matrix element (left angle 0 vertical stroke {sup 3}P{sup 8}{sub 0} vertical stroke 0 right angle) should be of the order of 0.008m{sub c}{sup 2} GeV{sup 3} or less. The constrained region is not compatible with the values of the long distance matrix elements fitted at hadron colliders. (orig.)

  15. Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms

    International Nuclear Information System (INIS)

    Ablinger, Jakob; Blümlein, Johannes; Raab, Clemens; Schneider, Carsten; Wißbrock, Fabian

    2014-01-01

    We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version of the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators, new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∼30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N∈C. Integrals with a power-like divergence in N-space ∝a N ,a∈R,a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions

  16. A measurement of the top quark mass with a matrix element method

    Energy Technology Data Exchange (ETDEWEB)

    Gibson, Adam Paul [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    The authors present a measurement of the mass of the top quark. The event sample is selected from proton-antiproton collisions, at 1.96 TeV center-of-mass energy, observed with the CDF detector at Fermilab's Tevatron. They consider a 318 pb-1 dataset collected between March 2002 and August 2004. They select events that contain one energetic lepton, large missing transverse energy, exactly four energetic jets, and at least one displaced vertex b tag. The analysis uses leading-order t$\\bar{t}$ and background matrix elements along with parameterized parton showering to construct event-by-event likelihoods as a function of top quark mass. From the 63 events observed with the 318 pb-1 dataset they extract a top quark mass of 172.0 ± 2.6(stat) ± 3.3(syst) GeV/c2 from the joint likelihood. The mean expected statistical uncertainty is 3.2 GeV/c2 for m $\\bar{t}$ = 178 GTeV/c2 and 3.1 GeV/c2 for m $\\bar{t}$ = 172.5 GeV/c2. The systematic error is dominated by the uncertainty of the jet energy scale.

  17. Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers

    Science.gov (United States)

    Bury, Marcin; van Hameren, Andreas; Jung, Hannes; Kutak, Krzysztof; Sapeta, Sebastian; Serino, Mirko

    2018-02-01

    A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high p_t dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization.

  18. K →π matrix elements of the chromomagnetic operator on the lattice

    Science.gov (United States)

    Constantinou, M.; Costa, M.; Frezzotti, R.; Lubicz, V.; Martinelli, G.; Meloni, D.; Panagopoulos, H.; Simula, S.; ETM Collaboration

    2018-04-01

    We present the results of the first lattice QCD calculation of the K →π matrix elements of the chromomagnetic operator OCM=g s ¯ σμ νGμ νd , which appears in the effective Hamiltonian describing Δ S =1 transitions in and beyond the standard model. Having dimension five, the chromomagnetic operator is characterized by a rich pattern of mixing with operators of equal and lower dimensionality. The multiplicative renormalization factor as well as the mixing coefficients with the operators of equal dimension have been computed at one loop in perturbation theory. The power divergent coefficients controlling the mixing with operators of lower dimension have been determined nonperturbatively, by imposing suitable subtraction conditions. The numerical simulations have been carried out using the gauge field configurations produced by the European Twisted Mass Collaboration with Nf=2 +1 +1 dynamical quarks at three values of the lattice spacing. Our result for the B parameter of the chromomagnetic operator at the physical pion and kaon point is BCMOK π=0.273 (69 ) , while in the SU(3) chiral limit we obtain BCMO=0.076 (23 ) . Our findings are significantly smaller than the model-dependent estimate BCMO˜1 - 4 , currently used in phenomenological analyses, and improve the uncertainty on this important phenomenological quantity.

  19. Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers.

    Science.gov (United States)

    Bury, Marcin; van Hameren, Andreas; Jung, Hannes; Kutak, Krzysztof; Sapeta, Sebastian; Serino, Mirko

    2018-01-01

    A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high [Formula: see text] dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization.

  20. Calculating three loop ladder and V-topologies for massive operator matrix elements by computer algebra

    International Nuclear Information System (INIS)

    Ablinger, J.; Schneider, C.; Manteuffel, A. von

    2015-09-01

    Three loop ladder and V-topology diagrams contributing to the massive operator matrix element A Qg are calculated. The corresponding objects can all be expressed in terms of nested sums and recurrences depending on the Mellin variable N and the dimensional parameter ε. Given these representations, the desired Laurent series expansions in ε can be obtained with the help of our computer algebra toolbox. Here we rely on generalized hypergeometric functions and Mellin-Barnes representations, on difference ring algorithms for symbolic summation, on an optimized version of the multivariate Almkvist-Zeilberger algorithm for symbolic integration, and on new methods to calculate Laurent series solutions of coupled systems of differential equations. The solutions can be computed for general coefficient matrices directly for any basis also performing the expansion in the dimensional parameter in case it is expressible in terms of indefinite nested product-sum expressions. This structural result is based on new results of our difference ring theory. In the cases discussed we deal with iterative sum- and integral-solutions over general alphabets. The final results are expressed in terms of special sums, forming quasi-shuffle algebras, such as nested harmonic sums, generalized harmonic sums, and nested binomially weighted (cyclotomic) sums. Analytic continuations to complex values of N are possible through the recursion relations obeyed by these quantities and their analytic asymptotic expansions. The latter lead to a host of new constants beyond the multiple zeta values, the infinite generalized harmonic and cyclotomic sums in the case of V-topologies.

  1. Investigation of Product Performance of Al-Metal Matrix Composites Brake Disc using Finite Element Analysis

    International Nuclear Information System (INIS)

    Fatchurrohman, N; Marini, C D; Suraya, S; Iqbal, AKM Asif

    2016-01-01

    The increasing demand of fuel efficiency and light weight components in automobile sectors have led to the development of advanced material parts with improved performance. A specific class of MMCs which has gained a lot of attention due to its potential is aluminium metal matrix composites (Al-MMCs). Product performance investigation of Al- MMCs is presented in this article, where an Al-MMCs brake disc is analyzed using finite element analysis. The objective is to identify the potentiality of replacing the conventional iron brake disc with Al-MMCs brake disc. The simulation results suggested that the MMCs brake disc provided better thermal and mechanical performance as compared to the conventional cast iron brake disc. Although, the Al-MMCs brake disc dissipated higher maximum temperature compared to cast iron brake disc's maximum temperature. The Al-MMCs brake disc showed a well distributed temperature than the cast iron brake disc. The high temperature developed at the ring of the disc and heat was dissipated in circumferential direction. Moreover, better thermal dissipation and conduction at brake disc rotor surface played a major influence on the stress. As a comparison, the maximum stress and strain of Al-MMCs brake disc was lower than that induced on the cast iron brake disc. (paper)

  2. Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program

    Science.gov (United States)

    Angeli, C.; Cimiraglia, R.

    2013-02-01

    A symbolic program performing the Formal Reduction of Density Operators (FRODO), formerly developed in the MuPAD computer algebra system with the purpose of evaluating the matrix elements of the electronic Hamiltonian between internally contracted functions in a complete active space (CAS) scheme, has been rewritten in Mathematica. New version : A program summaryProgram title: FRODO Catalogue identifier: ADV Y _v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVY_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3878 No. of bytes in distributed program, including test data, etc.: 170729 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer on which the Mathematica computer algebra system can be installed Operating system: Linux Classification: 5 Catalogue identifier of previous version: ADV Y _v1_0 Journal reference of previous version: Comput. Phys. Comm. 171(2005)63 Does the new version supersede the previous version?: No Nature of problem. In order to improve on the CAS-SCF wavefunction one can resort to multireference perturbation theory or configuration interaction based on internally contracted functions (ICFs) which are obtained by application of the excitation operators to the reference CAS-SCF wavefunction. The previous formulation of such matrix elements in the MuPAD computer algebra system, has been rewritten using Mathematica. Solution method: The method adopted consists in successively eliminating all occurrences of inactive orbital indices (core and virtual) from the products of excitation operators which appear in the definition of the ICFs and in the electronic Hamiltonian expressed in the second quantization formalism. Reasons for new version: Some years ago we published in this journal a couple of papers [1, 2

  3. Quarkonium polarization and the long distance matrix elements hierarchies using jet substructure

    Science.gov (United States)

    Dai, Lin; Shrivastava, Prashant

    2017-08-01

    We investigate the quarkonium production mechanisms in jets at the LHC, using the fragmenting jet functions (FJF) approach. Specifically, we discuss the jet energy dependence of the J /ψ production cross section at the LHC. By comparing the cross sections for the different NRQCD production channels (1S0[8], 3S1[8], 3PJ[8], and 3cripts>S1[1]), we find that at fixed values of energy fraction z carried by the J /ψ , if the normalized cross section is a decreasing function of the jet energy, in particular for z >0.5 , then the depolarizing 1S0[8] must be the dominant channel. This makes the prediction made in [Baumgart et al., J. High Energy Phys. 11 (2014) 003, 10.1007/JHEP11(2014)003] for the FJF's also true for the cross section. We also make comparisons between the long distance matrix elements extracted by various groups. This analysis could potentially shed light on the polarization properties of the J /ψ production in high pT region.

  4. A new Eulerian-Lagrangian finite element simulator for solute transport in discrete fracture-matrix systems

    Energy Technology Data Exchange (ETDEWEB)

    Birkholzer, J.; Karasaki, K. [Lawrence Berkeley National Lab., CA (United States). Earth Sciences Div.

    1996-07-01

    Fracture network simulators have extensively been used in the past for obtaining a better understanding of flow and transport processes in fractured rock. However, most of these models do not account for fluid or solute exchange between the fractures and the porous matrix, although diffusion into the matrix pores can have a major impact on the spreading of contaminants. In the present paper a new finite element code TRIPOLY is introduced which combines a powerful fracture network simulator with an efficient method to account for the diffusive interaction between the fractures and the adjacent matrix blocks. The fracture network simulator used in TRIPOLY features a mixed Lagrangian-Eulerian solution scheme for the transport in fractures, combined with an adaptive gridding technique to account for sharp concentration fronts. The fracture-matrix interaction is calculated with an efficient method which has been successfully used in the past for dual-porosity models. Discrete fractures and matrix blocks are treated as two different systems, and the interaction is modeled by introducing sink/source terms in both systems. It is assumed that diffusive transport in the matrix can be approximated as a one-dimensional process, perpendicular to the adjacent fracture surfaces. A direct solution scheme is employed to solve the coupled fracture and matrix equations. The newly developed combination of the fracture network simulator and the fracture-matrix interaction module allows for detailed studies of spreading processes in fractured porous rock. The authors present a sample application which demonstrate the codes ability of handling large-scale fracture-matrix systems comprising individual fractures and matrix blocks of arbitrary size and shape.

  5. Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set.

    Science.gov (United States)

    Oberhofer, Harald; Blumberger, Jochen

    2010-12-28

    We present a plane wave basis set implementation for the calculation of electronic coupling matrix elements of electron transfer reactions within the framework of constrained density functional theory (CDFT). Following the work of Wu and Van Voorhis [J. Chem. Phys. 125, 164105 (2006)], the diabatic wavefunctions are approximated by the Kohn-Sham determinants obtained from CDFT calculations, and the coupling matrix element calculated by an efficient integration scheme. Our results for intermolecular electron transfer in small systems agree very well with high-level ab initio calculations based on generalized Mulliken-Hush theory, and with previous local basis set CDFT calculations. The effect of thermal fluctuations on the coupling matrix element is demonstrated for intramolecular electron transfer in the tetrathiafulvalene-diquinone (Q-TTF-Q(-)) anion. Sampling the electronic coupling along density functional based molecular dynamics trajectories, we find that thermal fluctuations, in particular the slow bending motion of the molecule, can lead to changes in the instantaneous electron transfer rate by more than an order of magnitude. The thermal average, ()(1/2)=6.7 mH, is significantly higher than the value obtained for the minimum energy structure, |H(ab)|=3.8 mH. While CDFT in combination with generalized gradient approximation (GGA) functionals describes the intermolecular electron transfer in the studied systems well, exact exchange is required for Q-TTF-Q(-) in order to obtain coupling matrix elements in agreement with experiment (3.9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level.

  6. New approaches for the chemical and physical characterization of aerosols using a single particle mass spectrometry based technique

    Science.gov (United States)

    Spencer, Matthew Todd

    burning and appeared to be internally mixed with sulfate which suggests it was cloud processed during transport. Lastly, noble metal nanoparticles are explored as potential matrices for visible wavelength single particle matrix assisted laser desorption/ionization mass spectrometry (VIS-MALDI). This work demonstrates that noble metal nanoparticle matrices can be used for VIS-MALDI analysis.

  7. Planck scale physics of the single-particle Schrödinger equation ...

    Indian Academy of Sciences (India)

    August 2002 physics pp. 375–383. Planck scale physics of the single-particle Schrödinger equation with gravitational self-interaction. VIKRAM SONI. National Physical Laboratory, K.S. Krishnan Marg, New Delhi 110 016, India. Abstract. We consider the modification of a single-particle Schrödinger equation by the inclusion.

  8. Adinkras from ordered quartets of BC4 Coxeter group elements and regarding 1,358,954,496 matrix elements of the Gadget

    Science.gov (United States)

    Gates, S. James; Guyton, Forrest; Harmalkar, Siddhartha; Kessler, David S.; Korotkikh, Vadim; Meszaros, Victor A.

    2017-06-01

    We examine values of the Adinkra Holoraumy-induced Gadget representation space metric over all possible four-color, four-open node, and four-closed node adinkras. Of the 1,358,954,496 gadget matrix elements, only 226,492,416 are non-vanishing and take on one of three values: -1/3, 1/3, or 1 and thus a subspace isomorphic to a description of a body-centered tetrahedral molecule emerges.

  9. 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

  10. Continuous Modeling Technique of Fiber Pullout from a Cement Matrix with Different Interface Mechanical Properties Using Finite Element Program

    Directory of Open Access Journals (Sweden)

    Leandro Ferreira Friedrich

    Full Text Available Abstract Fiber-matrix interface performance has a great influence on the mechanical properties of fiber reinforced composite. This influence is mainly presented during fiber pullout from the matrix. As fiber pullout process consists of fiber debonding stage and pullout stage which involve complex contact problem, numerical modeling is a best way to investigate the interface influence. Although many numerical research works have been conducted, practical and effective technique suitable for continuous modeling of fiber pullout process is still scarce. The reason is in that numerical divergence frequently happens, leading to the modeling interruption. By interacting the popular finite element program ANSYS with the MATLAB, we proposed continuous modeling technique and realized modeling of fiber pullout from cement matrix with desired interface mechanical performance. For debonding process, we used interface elements with cohesive surface traction and exponential failure behavior. For pullout process, we switched interface elements to spring elements with variable stiffness, which is related to the interface shear stress as a function of the interface slip displacement. For both processes, the results obtained are very good in comparison with other numerical or analytical models and experimental tests. We suggest using the present technique to model toughening achieved by randomly distributed fibers.

  11. [Analysis of Single Particle Aging and Mixing State at an Agriculture Site (Quzhou) in the North China Plain in Summer Using a Single Particle Aerosol Mass Spectrometer].

    Science.gov (United States)

    Huang, Zi-long; Zeng, Li-mm; Dong, I-Iua-Bin; Li, Mei; Zhu, Tong

    2016-04-15

    To characterize the size distribution and chemical ompsitins f abiet prtices t a agicuturesit intheNorh o Chinese Plain, a single particle aerosol mass spectrometer (SPAMS) was deployed from June 30 to July 8, 2013. A total of 230,152 particles in the size range of 0.2-2.0 pm were chemically analyzed with both positive and negative ion spectra. The results revealed that aerosol could he classified into eight dominant groups, including elemental carbon (EC, 55.5%), organic carbon (OC, 10.7%), alkalis (Na-K, 17.4%), other metals (1.7%), Fe-rich (6.3%), Pb-rich (3.1%), dust (4.8%), and other (0.8%). The observed eight types of particles contained secondary components such as 46NO2-, 62NO3-, 96SO3-, 96SO4-, 97HSO4-, showing that they probably went through different aging processes. The analysis of particle size distribution showed that 700-800 nm was the peak value of all particles, and that dust and Fe particles were mainly in the coarse size range. EC particles subtype group research revealed EC particles tended to be aging with the above mentioned secondary ions and eventually led to a particle type conversion from EC to the less aging ECN and the more serious aging ECS, the diurnal variation of which was obviously negatively correlated, and there was a possibility of forming OC/EC mixture with the adsorption of secondary organic matter on EC surface.

  12. Finite Element Analysis of Implant-Assisted Removable Partial Denture Attachment with Different Matrix Designs During Bilateral Loading.

    Science.gov (United States)

    Shahmiri, Reza; Das, Raj

    2016-01-01

    The aim of this study was to investigate the effect of different matrix designs on resilient attachment on an implant-assisted removable partial denture (IARPD) using finite element analysis (FEA). A laser scanner was used to extract the geometrical data of a human partially edentulous mandible. A 12-mm-long and 4.8-mm-diameter-wide implant was modeled, and two types of intradental attachment of snap fastener principle (elliptical) and resilient attachment (titanium) matrices were modeled along with tooth roots and periodontal ligaments. The modeling was performed with a combination of reverse engineering and solid modeling. The model incorporated a removable partial denture and was loaded with realistic bilateral forces. The FEA was used to analyze the stress and strain distributions in the IARPD and in the metal framework. Stresses and deformations in the metal framework and resin denture base surfaces were analyzed for the elliptical and titanium matrix designs. The maximum von Mises stresses were 605.85 and 614.96 MPa in the metal framework surface and 10.35 and 10.63 MPa in the resin denture base surface, respectively, for the elliptical and titanium matrix designs. The maximum deformations (displacements) were 418.5 and 428.3 μm in the metal framework surface for the elliptical and titanium matrix designs, respectively. The corresponding values of displacements for the resin denture base surface were 325.52 and 249.22 μm for the elliptical and titanium matrix designs, respectively. The maximum displacements in the matrixes were, however, nearly the same (229.51 and 229.47 μm) for both the elliptical and titanium matrixes. The titanium matrix design was a more favorable design compared with the elliptical design, because it had lower lateral deformation as indicated by the maximum displacement.

  13. Investigations on thermal properties, stress and deformation of Al/SiC metal matrix composite based on finite element method

    Directory of Open Access Journals (Sweden)

    K. A. Ramesh Kumar

    2014-09-01

    Full Text Available AlSiC is a metal matrix composite which comprises of aluminium matrix with silicon carbide particles. It is characterized by high thermal conductivity (180-200 W/m K, and its thermal expansion are attuned to match other important materials that finds enormous demand in industrial sectors. Although its application is very common, the physics behind the Al-SiC formation, functionality and behaviors are intricate owing to the temperature gradient of hundreds of degrees, over the volume, occurring on a time scale of a few seconds, involving multiple phases. In this study, various physical, metallurgical and numerical aspects such as equation of continuum for thermal, stress and deformation using finite element (FE matrix formulation, temperature dependent material properties, are analyzed. Modelling and simulation studies of Al/SiC composites are a preliminary attempt to view this research work from computational point of view.

  14. 1ST-ORDER NONADIABATIC COUPLING MATRIX-ELEMENTS FROM MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD RESPONSE THEORY

    DEFF Research Database (Denmark)

    Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.

    1992-01-01

    A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response of a ref......A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response...... electrons many correlating orbitals are required in the MCSCF reference state calculation to accurately describe the FO-NACME. FO-NACME between various states of H-2, MgH2, and BH are presented. These calculations show that the method is capable of giving quantitatively correct results that converge...

  15. Radiochemical separation and ICP-AES determination of some common metallic elements in ThO2 matrix

    International Nuclear Information System (INIS)

    Adya, V.C.; Hon, N.S.; Bangia, T.R.; Sastry, M.D.; Iyer, R.H.

    1997-01-01

    Radioactive tracer and also ICP-AES studies have been carried out to determine Al, Cd, Ca, Cr, Co, Cu, Mn, Mo and Pd in ThO 2 matrix after chemical separation. Di-2-ethyl-hexyl phosphoric acid/xylene/HNO 3 extraction system was used for quantitative separation of thorium. The recovery of elements as determined by tracers and ICP-AES was found to be quantitative within experimental error. (author). 3 refs., 1 tab

  16. The transition matrix element Agq(N) of the variable flavor number scheme at O(α3s)

    International Nuclear Information System (INIS)

    Ablinger, J.; Hasselhuhn, A.; Schneider, C.; Manteuffel, A. von

    2014-01-01

    We calculate the massive operator matrix element A (3) gq (N) to 3-loop order in Quantum Chromodynamics at general values of the Mellin variable N. This is the first complete transition function needed in the variable flavor number scheme obtained at O(α 3 s ). A fist independent recalculation is performed for the contributions ∝ N F of the 3-loop anomalous dimension γ (2) gq (N).

  17. Identification of scaffold/Matrix Attachment (S/MAR like DNA element from the gastrointestinal protozoan parasite Giardia lamblia

    Directory of Open Access Journals (Sweden)

    Gautam Pennathur

    2010-06-01

    Full Text Available Abstract Background Chromatin in the nucleus of all eukaryotes is organized into a system of loops and domains. These loops remain fastened at their bases to the fundamental framework of the nucleus, the matrix or the scaffold. The DNA sequences which anchor the bases of the chromatin loops to the matrix are known as Scaffold/Matrix Attachment Regions or S/MARs. Though S/MARs have been studied in yeast and higher eukaryotes and they have been found to be associated with gene organization and regulation of gene expression, they have not been reported in protists like Giardia. Several tools have been discovered and formulated to predict S/MARs from a genome of a higher eukaryote which take into account a number of features. However, the lack of a definitive consensus sequence in S/MARs and the randomness of the protozoan genome in general, make it a challenge to predict and identify such sequences from protists. Results Here, we have analysed the Giardia genome for the probable S/MARs predicted by the available computational tools; and then shown these sequences to be physically associated with the nuclear matrix. Our study also reflects that while no single computational tool is competent to predict such complex elements from protist genomes, a combination of tools followed by experimental verification is the only way to confirm the presence of these elements from these organisms. Conclusion This is the first report of S/MAR elements from the protozoan parasite Giardia lamblia. This initial work is expected to lay a framework for future studies relating to genome organization as well as gene regulatory elements in this parasite.

  18. Many-particle nucleon-nucleon forces from nuclear single-particle states

    OpenAIRE

    Birbrair, B. L.; Ryazanov, V. I.

    1999-01-01

    As follows from the energies of single-particle states in ^{40}Ca, ^{90}Zr and ^{208}Pb nuclei the contribution of many-particle NN forces to the nuclear single-particle potential is at least the sum of repulsive and attractive parts resulting from three-particle and four-particle forces respectively. In addition the specified nucleon density distributions in the above nuclei are determined from both the 1 GeV proton-nucleus elastic scattering and the single-particle energies.

  19. 0νββ-decay nuclear matrix elements with self-consistent short-range correlations

    International Nuclear Information System (INIS)

    Simkovic, Fedor; Faessler, Amand; Muether, Herbert; Rodin, Vadim; Stauf, Markus

    2009-01-01

    A self-consistent calculation of nuclear matrix elements of the neutrinoless double-beta decays (0νββ) of 76 Ge, 82 Se, 96 Zr, 100 Mo, 116 Cd, 128 Te, 130 Te, and 136 Xe is presented in the framework of the renormalized quasiparticle random phase approximation (RQRPA) and the standard QRPA. The pairing and residual interactions as well as the two-nucleon short-range correlations are for the first time derived from the same modern realistic nucleon-nucleon potentials, namely, from the charge-dependent Bonn potential (CD-Bonn) and the Argonne V18 potential. In a comparison with the traditional approach of using the Miller-Spencer Jastrow correlations, matrix elements for the 0νββ decay are obtained that are larger in magnitude. We analyze the differences among various two-nucleon correlations including those of the unitary correlation operator method (UCOM) and quantify the uncertainties in the calculated 0νββ-decay matrix elements.

  20. Component tree analysis of cystovirus φ6 nucleocapsid Cryo-EM single particle reconstructions.

    Directory of Open Access Journals (Sweden)

    Lucas M Oliveira

    Full Text Available The 3-dimensional structure of the nucleocapsid (NC of bacteriophage φ6 is described utilizing component tree analysis, a topological and geometric image descriptor. The component trees are derived from density maps of cryo-electron microscopy single particle reconstructions. Analysis determines position and occupancy of structure elements responsible for RNA packaging and transcription. Occupancy of the hexameric nucleotide triphosphorylase (P4 and RNA polymerase (P2 are found to be essentially complete in the NC. The P8 protein lattice likely fixes P4 and P2 in place during maturation. We propose that the viral procapsid (PC is a dynamic structural intermediate where the P4 and P2 can attach and detach until held in place in mature NCs. During packaging, the PC expands to accommodate the RNA, and P2 translates from its original site near the inner 3-fold axis (20 sites to the inner 5-fold axis (12 sites with excess P2 positioned inside the central region of the NC.

  1. 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

  2. The Reciprocal Pascal Matrix

    OpenAIRE

    Richardson, Thomas M.

    2014-01-01

    The reciprocal Pascal matrix is the Hadamard inverse of the symmetric Pascal matrix. We show that the ordinary matrix inverse of the reciprocal Pascal matrix has integer elements. The proof uses two factorizations of the matrix of super Catalan numbers.

  3. Diamond-made matrix photosensitive elements of ultra-violet range

    Directory of Open Access Journals (Sweden)

    Altukhov A. A.

    2008-06-01

    Full Text Available Principles of construction and technology of creation of matrix photodetecting devices of ultra-violet radiation on the basis of natural diamond are considered. Measurements of spectral, volt-ampere characteristics, of dark current and leakage currents were carried out at various voltages for linear (2×64 and matrix (64×64 photodetecting devices. The basic opportunity of creation of such multielement structures possessing high sensitivity is shown for the first time. It is shown, that surface leakage currents play the dominating role in restriction of photosensivity of the given structures. It is found the significant dispersion of dark current and a photocurrent of matrix photodetectors on the basis of the natural diamond, concerned with heterogeneity of defective structure.

  4. Fiber beam-column element implementation in academic CAD software Matrix 3D

    Directory of Open Access Journals (Sweden)

    Jovanović Đorđe

    2017-01-01

    Full Text Available Theoretical foundations of beam -column finite element implemented (and tested within academic CAD software developed on FTN (Department of civil engineering are presented in this paper. Aforementioned FE is force-based fibre element, divided into a discrete number of monitored sections. Besides of material nonlinearity, finite-element is capable of capturing geometrical nonlinearity. Some of numerical issues needed for performing incremental-iterative solution procedures with those elements are addressed in the paper. Finally, results and comparison with available data are shown.

  5. Models based on multichannel R-matrix theory for evaluating light element reactions

    International Nuclear Information System (INIS)

    Dodder, D.C.; Hale, G.M.; Nisley, R.A.; Witte, K.; Young, P.G.

    1975-01-01

    Multichannel R-matrix theory has been used as a basis for models for analysis and evaluation of light nuclear systems. These models have the characteristic that data predictions can be made utilizing information derived from other reactions related to the one of primary interest. Several examples are given where such an approach is valid and appropriate. (auth.)

  6. Dipolar unit size in coupled dipole calculations of the scattering matrix elements

    NARCIS (Netherlands)

    Hoekstra, A.G.; Sloot, P.M.A.

    1993-01-01

    The coupled-dipole method is widely used to calculate the light-scattering matrix S from arbitrary particles. An important parameter in the model is the size of the dipolar subunits. Usually a size of ~1/10 to ~1/20 of the wavelength of the incident light is sufficient for accurate calculations.

  7. The extracellular matrix - the under-recognized element in lung disease?

    NARCIS (Netherlands)

    Burgess, Janette K.; Mauad, Thais; Tjin, Gavin; Karlsson, Jenny C.; Westergren-Thorsson, Gunilla

    2016-01-01

    The lung is composed of airways and lung parenchyma, and the extracellular matrix (ECM) contains the main building blocks of both components. The ECM provides physical support and stability to the lung, and as such it has in the past been regarded as an inert structure. More recent research has

  8. Limiting factors in single particle cryo electron tomography

    Directory of Open Access Journals (Sweden)

    Mikhail Kudryashev

    2012-07-01

    Full Text Available Modern methods of cryo electron microscopy and tomography allow visualization of protein nanomachines in their native state at the nanometer scale. Image processing methods including sub-volume averaging applied to repeating macromolecular elements within tomograms allow exploring their structures within the native context of the cell, avoiding the need for protein isolation and purification. Today, many different data acquisition protocols and software solutions are available to researchers to determine average structures of macromolecular complexes and potentially to classify structural intermediates. Here, we list the density maps reported in the literature, and analyze each structure for the chosen instrumental settings, sample conditions, main processing steps, and obtained resolution. We present conclusions that identify factors currently limiting the resolution gained by this approach.

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

    Science.gov (United States)

    Pacakova, B; Mantlikova, A; Niznansky, D; Kubickova, S; Vejpravova, J

    2016-05-25

    Magnetic response of single-domain nanoparticles (NPs) in concentrated systems is strongly affected by mutual interparticle interactions. However, particle proximity significantly influences single-particle effective anisotropy. To solve which of these two phenomena plays a dominant role in the magnetic response of real NP systems, systematic study on samples with well-defined parameters is required. In our work, we prepared a series of nanocomposites constituted of highly-crystalline and well-isolated CoFe2O4 NPs embedded in an amorphous SiO2 matrix using a single-molecule precursor method. This preparation method enabled us to reach a wide interval of particle size and concentration. We observed that the characteristic parameters of the single-domain state (coercivity, blocking temperature) and dipole-dipole interaction energy ([Formula: see text]) scaled with each other and increased with increasing [Formula: see text], where d XRD was the NP diameter and r was the interparticle distance. Our results are in excellent agreement with Monte-Carlo simulations of the particle growth. Moreover, we demonstrated that the contribution of [Formula: see text] acting as an additional energetic barrier to the superspin reversal or as an average static field did not sufficiently explain how the concentrated NP systems responded to an external magnetic field. Alternations in the blocking temperature and coercivity of our NP systems accounted for reformed relaxations of the NP superspins and modified effective anisotropy energy of the interacting NPs. Therefore, the concept of modified NP effective anisotropy explains the magnetic response of our concentrated NP systems better than the concept of the energy barrier influenced by interparticle interactions.

  10. Study of electron-molecule collision via finite-element method and r-matrix propagation technique: Exact exchange

    International Nuclear Information System (INIS)

    Abdolsalami, F.; Abdolsalami, M.; Perez, L.; Gomez, P.

    1995-01-01

    The authors have applied the finite-element method to electron-molecule collision with the exchange effect implemented rigorously. All the calculations are done in the body-frame within the fixed-nuclei approximation, where the exact treatment of exchange as a nonlocal effect results in a set of coupled integro-differential equations. The method is applied to e-H 2 and e-N 2 scatterings and the cross sections obtained are in very good agreement with the corresponding results the authors have generated from the linear-algebraic approach. This confirms the significant difference observed between their results generated by linear-algebraic method and the previously published e-N 2 cross sections. Their studies show that the finite-element method is clearly superior to the linear-algebraic approach in both memory usage and CPU time especially for large systems such as e-N 2 . The system coefficient matrix obtained from the finite-element method is often sparse and smaller in size by a factor of 12 to 16, compared to the linear-algebraic technique. Moreover, the CPU time required to obtain stable results with the finite-element method is significantly smaller than the linear-algebraic approach for one incident electron energy. The usage of computer resources in the finite-element method can even be reduced much further when (1) scattering calculations involving multiple electron energies are performed in one computer run and (2) exchange, which is a short range effect, is approximated by a sparse matrix. 17 refs., 7 figs., 5 tabs

  11. Qualitative analysis of teeth and evaluation of amalgam elements penetration into dental matrix using laser induced breakdown spectroscopy.

    Science.gov (United States)

    Gazmeh, Meisam; Bahreini, Maryam; Tavassoli, Seyed Hassan; Asnaashari, Mohammad

    2015-01-01

    In this study, laser induced breakdown spectroscopy (LIBS) is used for qualitative analysis of healthy and carious teeth. The technique of laser ablation is receiving increasing attention for applications in dentistry, specifically for the treatment of teeth such as drilling of micro-holes and plaque removal. A quality-switched (Q-switched) Neodymium-Doped Yttrium Aluminium Garnet (Nd:YAG) laser operating at wavelength of 1064 nm, pulse energy of 90 mJ/pulse, repetition rate of 2Hz and pulse duration of 6 ns was used in this analysis. In the process of ablation a luminous micro-plasma is normally generated which may be exploited for on-line elemental analysis via laser induced breakdown spectroscopy technique. We propose laser induced breakdown spectroscopy as a rapid, in situ and easy method for monitoring drilling process. The results of elemental analysis show the presence of some trace elements in teeth including P, Ca, Mg, Zn, K, Sr, C, Na, H, O and the permeability of some amalgam (teeth filling materials) elements including Hg, Ag, Cu and Sn into dental matrix. This study addresses the ability of LIBS in elemental analysis of teeth and its feasibility in acute identification of healthy and carious teeth during drilling process for future clinical applications.

  12. 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.

  13. 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)

  14. The nuclear matrix elements of 0νββ decay and the NUMEN project at INFN-LNS

    Directory of Open Access Journals (Sweden)

    Cappuzzello F.

    2016-01-01

    Full Text Available An innovative technique to access the nuclear matrix elements entering the expression of the life time of the double beta decay by relevant cross sections measurements of double charge exchange reactions is proposed. A key aspect of the project is the use of the MAGNEX large acceptance magnetic spectrometer, for the detection of the ejectiles, and of the LNS K800 Superconducting Cyclotron (CS, for the acceleration of the required high resolution and low emittance heavyion beams, already in operation at INFN Laboratory Nazionali del Sud in Catania (Italy.

  15. NUMEN Project @ LNS : Heavy ions double charge exchange reactions towards the 0νββ nuclear matrix element determination

    Energy Technology Data Exchange (ETDEWEB)

    Agodi, C., E-mail: agodi@lns.infn.it; Calabretta, L.; Calanna, A.; Carbone, D.; Cavallaro, M.; Colonna, M.; Cuttone, G.; Finocchiaro, P.; Pandola, L.; Rifuggiato, D.; Tudisco, S. [INFN - Laboratori Nazionali del Sud, Catania (Italy); Cappuzzello, F.; Greco, V. [INFN - Laboratori Nazionali del Sud, Catania (Italy); Dipartimento di Fisica e Astronomia, Università di Catania, Catania (Italy); Bonanno, D. L.; Bongiovanni, D. G.; Longhitano, F. [INFN - Sezione di Catania, Catania (Italy); Branchina, V. [Dipartimento di Fisica e Astronomia, Università di Catania, Catania (Italy); Foti, A.; Lo Presti, D. [Dipartimento di Fisica e Astronomia, Università di Catania, Catania (Italy); INFN - Sezione di Catania, Catania (Italy); Lanzalone, G. [Università di Enna, Enna (Italy); and others

    2015-10-28

    In the NUMEN Project it is proposed an innovative technique to access the nuclear matrix elements entering in the expression of the life-time of the neutrinoless double beta decay, using relevant cross sections of double charge exchange reactions. A key aspect is the use of MAGNEX large acceptance magnetic spectrometer, for the detection of the ejectiles, and of the INFN Laboratori Nazionali del Sud (LNS) K800 Superconducting Cyclotron (CS), for the acceleration of the required high resolution and low emittance heavy-ion beams.

  16. Off-diagonal helicity density matrix elements for vector mesons produced in polarized e+e- processes

    International Nuclear Information System (INIS)

    Anselmino, M.; Murgia, F.; Quintairos, P.

    1999-04-01

    Final state q q-bar interactions give origin to non zero values of the off-diagonal element ρ 1,-1 of the helicity density matrix of vector mesons produced in e + e - annihilations, as confirmed by recent OPAL data on φ, D * and K * 's. New predictions are given for ρ 1,-1 of several mesons produced at large x E and small p T - i.e. collinear with the parent jet - in the annihilation of polarized 3 + and 3 - , the results depend strongly on the elementary dynamics and allow further non trivial tests of the standard model. (author)

  17. Determination of several trace elements in silicate rocks by an XRF method with background and matrix corrections

    Energy Technology Data Exchange (ETDEWEB)

    Pascual, J.

    1987-12-01

    An X-ray fluorescence method for determining trace elements in silicate rock samples was studied. The procedure focused on the application of the pertinent matrix corrections. Either the Compton peak or the reciprocal of the mass absorption coefficient of the sample was used as internal standard for this purpose. X-ray tubes with W or Cr anodes were employed, and the W L..beta.. and Cr K..cap alpha.. Compton intensities scattered by the sample were measured. The mass absorption coefficients at both sides of the absorption edge for Fe (1.658 and 1.936 A) were calculated. The elements Zr, Y, Rb, Zn, Ni, Cr and V were determined in 15 international reference rocks covering wide ranges of concentration. Relative mean errors were in many cases less than 10%.

  18. Single particle mass spectral signatures from vehicle exhaust particles and the source apportionment of on-line PM2.5by single particle aerosol mass spectrometry.

    Science.gov (United States)

    Yang, Jian; Ma, Shexia; Gao, Bo; Li, Xiaoying; Zhang, Yanjun; Cai, Jing; Li, Mei; Yao, Ling'ai; Huang, Bo; Zheng, Mei

    2017-09-01

    In order to accurately apportion the many distinct types of individual particles observed, it is necessary to characterize fingerprints of individual particles emitted directly from known sources. In this study, single particle mass spectral signatures from vehicle exhaust particles in a tunnel were performed. These data were used to evaluate particle signatures in a real-world PM 2.5 apportionment study. The dominant chemical type originating from average positive and negative mass spectra for vehicle exhaust particles are EC species. Four distinct particle types describe the majority of particles emitted by vehicle exhaust particles in this tunnel. Each particle class is labeled according to the most significant chemical features in both average positive and negative mass spectral signatures, including ECOC, NaK, Metal and PAHs species. A single particle aerosol mass spectrometry (SPAMS) was also employed during the winter of 2013 in Guangzhou to determine both the size and chemical composition of individual atmospheric particles, with vacuum aerodynamic diameter (d va ) in the size range of 0.2-2μm. A total of 487,570 particles were chemically analyzed with positive and negative ion mass spectra and a large set of single particle mass spectra was collected and analyzed in order to identify the speciation. According to the typical tracer ions from different source types and classification by the ART-2a algorithm which uses source fingerprints for apportioning ambient particles, the major sources of single particles were simulated. Coal combustion, vehicle exhaust, and secondary ion were the most abundant particle sources, contributing 28.5%, 17.8%, and 18.2%, respectively. The fraction with vehicle exhaust species particles decreased slightly with particle size in the condensation mode particles. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Role of single-particle and pair condensates in Bose systems with arbitrary intensity of interaction

    Directory of Open Access Journals (Sweden)

    A.S. Peletminskii

    2013-03-01

    Full Text Available We study a superfluid Bose system with single-particle and pair condensates on the basis of a half-phenomenological theory of a Bose liquid not involving the weakness of interparticle interaction. The coupled equations describing the equilibrium state of such system are derived from the variational principle for entropy. These equations are analyzed at zero temperature both analytically and numerically. It is shown that the fraction of particles in the single-particle and pair condensates essentially depends on the total density of the system. At densities attainable in condensates of alkali-metal atoms, almost all particles are in the single-particle condensate. The pair condensate fraction grows with increasing total density and becomes dominant. It is shown that at density of liquid helium, the single-particle condensate fraction is less than 10% that agrees with experimental data on inelastic neutron scattering, Monte Carlo calculations and other theoretical predictions. The ground state energy, pressure, and compressibility are found for the system under consideration. The spectrum of single-particle excitations is also analyzed.

  20. Calculation of the transfer matrix T in six dimensions for an rf-deflector element

    International Nuclear Information System (INIS)

    Bongardt, K.

    1981-01-01

    One possible element for funneling two beams together is a deflector with a constant or time-varying electric-field strength. With such an element, arbitrary beams can be brought together and maintained on the axis, if the appropriate combination of deflector parameters is chosen. A parallel beam can be handled only with a time-varying voltage of the deflector. The six-dimensional transfer matrices are calculated for constant or time-varying fields; all the results are correct in first-order approximation

  1. Matrix units and Schur elements for the degenerate cyclotomic Hecke algebras

    OpenAIRE

    Zhao, Deke

    2011-01-01

    The paper uses the cellular basis of the (semi-simple) degenerate cyclotomic Hecke algebras to investigate these algebras exhaustively. As a consequence, we describe explicitly the "Young's seminormal form" and a orthogonal bases for Specht modules and determine explicitly the closed formula for the natural bilinear form on Specht modules and Schur elements for the degenerate cyclotomic Hekce algebras.

  2. Assessment of the influence of anthropogenic factors on elements of the ecological network in Vojvodina (Serbia using the Leopold matrix

    Directory of Open Access Journals (Sweden)

    Kicošev Vesna

    2015-01-01

    Full Text Available Salt steppes and marshes represent the most valuable ecosystems in the world, providing numerous ecosystem services that are extremely vulnerable to anthropogenic influences. These types of habitat in the territory of Serbia are most dominant in Banat and a significant portion of them is under protection or in the process of becoming protected. The section surrounding the protected areas of Slano Kopovo Special Nature Reserve, Rusanda Nature Park and Okanj Bara Special Nature Reserve with the non-building area of Novi Bečej, Kumane, Melenci, Elemir and Taraš cadastral municipalities, has been chosen for the analysis. The aim of this paper was to assess the influence of specific anthropogenic factors on the elements of an ecological network using the analytical method that can generate the required results in a manner suitable for presentation to various stakeholders. To achieve this aim, the Leopold matrix model, used for assessing anthropogenic influence on the environment, has been chosen. The specificity of this issue of protecting and preserving elements of an ecological network resulted in the need to isolate and evaluate the factors affecting the preservation of habitats and functionality of ecosystems, unlike the concept of Leopold matrix, which treats all factors as equally important in the process of evaluation. Evaluation results indicate significant effects of historical, perennial manner of using the area and other resources in the non-building area.

  3. 1ST-ORDER NONADIABATIC COUPLING MATRIX-ELEMENTS FROM MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD RESPONSE THEORY

    DEFF Research Database (Denmark)

    Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.

    1992-01-01

    A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response of a ref......A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response...... of a reference MCSCF wave function and the excitation vectors of response theory. Advantages of the method are that the reference state is fully optimized and that the excited states, represented by the excitation vectors, are strictly orthogonal to each other and to the reference state. In a single calculation...... electrons many correlating orbitals are required in the MCSCF reference state calculation to accurately describe the FO-NACME. FO-NACME between various states of H-2, MgH2, and BH are presented. These calculations show that the method is capable of giving quantitatively correct results that converge...

  4. Optimal Estimation of Diffusion Coefficients from Noisy Time-Lapse-Recorded Single-Particle Trajectories

    DEFF Research Database (Denmark)

    Vestergaard, Christian Lyngby

    2012-01-01

    Optimal Estimation of Diusion Coecients from Noisy Time-Lapse- Measurements of Single-Particle Trajectories Single-particle tracking techniques allow quantitative measurements of diusion at the single-molecule level. Recorded time-series are mostly short and contain considerable measurement noise....... The standard method for estimating diusion coecients from single-particle trajectories is based on leastsquares tting to the experimentally measured mean square displacements. This method is highly inecient, since it ignores the high correlations inherent in these. We derive the exact maximum likelihood...... parameter values. We extend the methods to particles diusing on a uctuating substrate, e.g., exible or semi exible polymers such as DNA, and show that uctuations induce an important bias in the estimates of diusion coecients if they are not accounted for. We apply the methods to obtain precise estimates...

  5. Matrix equation decomposition and parallel solution of systems resulting from unstructured finite element problems in electromagnetics

    Energy Technology Data Exchange (ETDEWEB)

    Cwik, T. [California Institute of Technology, Pasadena, CA (United States); Katz, D.S. [Cray Research, El Segundo, CA (United States)

    1996-12-31

    Finite element modeling has proven useful for accurately simulating scattered or radiated electromagnetic fields from complex three-dimensional objects whose geometry varies on the scale of a fraction of an electrical wavelength. An unstructured finite element model of realistic objects leads to a large, sparse, system of equations that needs to be solved efficiently with regard to machine memory and execution time. Both factorization and iterative solvers can be used to produce solutions to these systems of equations. Factorization leads to high memory requirements that limit the electrical problem size of three-dimensional objects that can be modeled. An iterative solver can be used to efficiently solve the system without excessive memory use and in a minimal amount of time if the convergence rate is controlled.

  6. STIFFNESS MATRIX AND THE VECTOR OF NODAL REACTIONS OF CIRCULAR FINITE ELEMENT WITH NUMERICAL INTEGRATION

    Directory of Open Access Journals (Sweden)

    Guliar O.

    2015-12-01

    Full Text Available On the basis of virtual work variations a new finite element with a variable crosssectional area along a generation, which due to numerical integration takes into account the variability of mechanical and geometrical parameters in cross-section was developed. In the process of test problem solving the correctness of the results, which allows to get this version of FE, was confirmed.

  7. Mesh Refinement in Finite Element Analysis by Minimization of the Stiffness Matrix Trace

    Science.gov (United States)

    1989-11-01

    preceed the last card "CEND" in the Executive Control Deck. The following set of DMAP instructions were used in the trace calculations: Nastran Executive...3 edges. NASTRAN MSGMESH t , GIFTSc , SUPERSAP. and SUPARTABt (in I-DEAS) have this capability. For a more complicated geometry Schwarz-Christoffel...distortion factors of the elements. t NASTRAN MSGMESH is developed by MacNeal-Schwendler Corporation C) GIFTS is developed by Sperry Univac Computer System

  8. Optimization of institutional streams of green construction using the elements of the theory of matrix games

    Directory of Open Access Journals (Sweden)

    Prokhin Egor Anatol’evich

    2016-10-01

    Full Text Available In the modern conditions innovatization of construction is of great necessity, though it is associated with a number of problems of first of all institutional genesis. The development of green construction in Russia is on its first stages, though its necessity is growing according to the tendency for energy efficiency and sustainable development. The innovative process of ecological construction has a network model and requires its optimization with the aim of further development by advancing the institutional platform. The author proposed a conceptual scheme for an institutional platform of the innovative process of green construction and conducted systematization of institutional structures. The unique role of innovative and ecological institutes is substantiated. The author recommends an optimization method for institutional interaction of the subjects using the stakeholder theory and the theory of matrix games aimed at activation of innovative green technologies. Practical application of the offered algorithms and methods will allow increasing the efficiency of green construction development.

  9. Solid-phase extraction microfluidic devices for matrix removal in trace element assay of actinide materials.

    Science.gov (United States)

    Gao, Jun; Manard, Benjamin T; Castro, Alonso; Montoya, Dennis P; Xu, Ning; Chamberlin, Rebecca M

    2017-05-15

    Advances in sample nebulization and injection technology have significantly reduced the volume of solution required for trace impurity analysis in plutonium and uranium materials. Correspondingly, we have designed and tested a novel chip-based microfluidic platform, containing a 100-µL or 20-µL solid-phase microextraction column, packed by centrifugation, which supports nuclear material mass and solution volume reductions of 90% or more compared to standard methods. Quantitative recovery of 28 trace elements in uranium was demonstrated using a UTEVA chromatographic resin column, and trace element recovery from thorium (a surrogate for plutonium) was similarly demonstrated using anion exchange resin AG MP-1. Of nine materials tested, compatibility of polyvinyl chloride (PVC), polypropylene (PP), and polytetrafluoroethylene (PTFE) chips with the strong nitric acid media was highest. The microcolumns can be incorporated into a variety of devices and systems, and can be loaded with other solid-phase resins for trace element assay in high-purity metals. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. 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

  11. Single particle radiation between high spin states in /sup 147/Gd

    Energy Technology Data Exchange (ETDEWEB)

    Borggreen, J.; Sletten, G.; Bjoernholm, S.; Pedersen, J.; Del Zoppo, A.; Radford, D.C.; Janssens, R.V.F.; Chowdhury, P.; Emling, H.; Frekers, D.

    1987-05-04

    Transitions above the T/sub 1/2/=550 ns, 8.59 MeV isomer in /sup 147/Gd have been studied using the (/sup 30/Si, 5n) reaction. Results from ..gamma gamma.. coincidence, angular distribution and recoil distance measurements are combined to establish a level scheme up to 16.9 MeV and I approx. = 79/2. Single particle configurations are assigned on the basis of the deformed independent particle model. The single particle nature of the highest spin states and the apparent lack of collectivity is discussed.

  12. The application of single particle hydrodynamics in continuum models of multiphase flow

    Science.gov (United States)

    Decker, Rand

    1988-01-01

    A review of the application of single particle hydrodynamics in models for the exchange of interphase momentum in continuum models of multiphase flow is presented. Considered are the equations of motion for a laminar, mechanical two phase flow. Inherent to this theory is a model for the interphase exchange of momentum due to drag between the dispersed particulate and continuous fluid phases. In addition, applications of two phase flow theory to de-mixing flows require the modeling of interphase momentum exchange due to lift forces. The applications of single particle analysis in deriving models for drag and lift are examined.

  13. Preparation of Disease-Related Protein Assemblies for Single Particle Electron Microscopy.

    Science.gov (United States)

    Cameron Varano, A; Harafuji, Naoe; Dearnaley, William; Guay-Woodford, Lisa; Kelly, Deborah F

    2017-01-01

    Electron microscopy (EM) is a rapidly growing area of structural biology that permits us to decode biological assemblies at the nanoscale. To examine biological materials for single particle EM analysis, purified assemblies must be obtained using biochemical separation techniques. Here, we describe effective methodologies for isolating histidine (his)-tagged protein assemblies from the nucleus of disease-relevant cell lines. We further demonstrate how isolated assemblies are visualized using single particle EM techniques and provide representative results for each step in the process.

  14. 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

  15. 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

  16. Homogeneous vs heterogeneous polymerization catalysis revealed by single-particle fluorescence microscopy.

    Science.gov (United States)

    Esfandiari, N Melody; Blum, Suzanne A

    2011-11-16

    A high-sensitivity and high-resolution single-particle fluorescence microscopy technique differentiated between homogeneous and heterogeneous metathesis polymerization catalysis by imaging the location of the early stages of polymerization. By imaging single polymers and single crystals of Grubbs II, polymerization catalysis was revealed to be solely homogeneous rather than heterogeneous or both.

  17. 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.

  18. 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

  19. Lagrangian single-particle turbulent statistics through the Hilbert-Huang transform

    NARCIS (Netherlands)

    Huang, Y.; Biferale, L.; Calzavarini, E.; Sun, Chao; Toschi, F.

    2013-01-01

    The Hilbert-Huang transform is applied to analyze single-particle Lagrangian velocity data from numerical simulations of hydrodynamic turbulence. The velocity trajectory is described in terms of a set of intrinsic mode functions C i (t) and of their instantaneous frequency ω i (t) . On the basis of

  20. Structure, single-particle and many-particle coefficients of Lennard ...

    Indian Academy of Sciences (India)

    We investigate the effects of temperature and density on the single-particle and many-particle coefficients as well as on the structures of homogenous systems in which the particles are assumed to interact via a continuous soft sphere potential in the microcanonical ensemble. The pair distribution function and therefore the ...

  1. Insensitivity of single particle time domain measurements to laser velocimeter 'Doppler ambiguity.'

    Science.gov (United States)

    Johnson, D. A.

    1973-01-01

    It is shown that single particle time domain measurements in high speed gas flows obtained by a laser velocimeter technique developed for use in wind tunnels are not affected by the so-called 'Doppler ambiguity.' A comparison of hot-wire anemometer and laser velocimeter measurements taken under similar flow conditions is used for the demonstration.

  2. Single particle electron microscopy in combination with mass spectrometry to investigate novel complexes of membrane proteins

    NARCIS (Netherlands)

    Arteni, Ana A.; Nowaczyk, Marc; Lax, Julia; Rögner, Matthias; Boekema, Egbert J.; Kouril, R.; Rogner, M.

    2005-01-01

    Large data sets of molecular projections of the membrane proteins Photosystem I and Photosystem II from cyanobacteria were analyzed by single particle electron microscopy (EM). Analysis resulted in the averaging of 2D projections from the purified complexes but also in the simultaneous detection and

  3. Deformed single-particle levels in the boson-fermion model

    International Nuclear Information System (INIS)

    Leviatan, A.; Shao, B.

    1989-01-01

    Deformed single-particle levels are derived from a boson-fermion Hamiltonian in which the odd fermion occupies several j orbits. The geometric-oriented approach applied to 169 Tm clarified the role of algebraic interactions and provides an intuitive interpretation and guidance to numerical calculations in deformed nuclei

  4. Deformed single-particle levels in the boson-fermion model

    Energy Technology Data Exchange (ETDEWEB)

    Leviatan, A.; Shao, B. (Center for Theoretical Physics, Sloane Laboratory, Yale University, New Haven, Connecticut 06511 (US) Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (US))

    1989-11-13

    Deformed single-particle levels are derived from a boson-fermion Hamiltonian in which the odd fermion occupies several {ital j} orbits. The geometric-oriented approach applied to {sup 169}Tm clarified the role of algebraic interactions and provides an intuitive interpretation and guidance to numerical calculations in deformed nuclei.

  5. 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

  6. Potential and matrix elements of the hamiltonian of internal rotation in molecules in the basis set of Mathieu functions

    Science.gov (United States)

    Turovtsev, V. V.; Orlov, Yu. D.; Tsirulev, A. N.

    2015-08-01

    The advantages of the orthonormal basis set of 2π-periodic Mathieu functions compared to the trigonometric basis set in calculations of torsional states of molecules are substantiated. Explicit expressions are derived for calculating the Hamiltonian matrix elements of a one-dimensional torsional Schrödinger equation with a periodic potential of the general form in the basis set of Mathieu functions. It is shown that variation of a parameter of Mathieu functions allows the rotation potential and the structural function to be approximated with a good accuracy by a small number of series terms. The conditions for the best choice of this parameter are specified, and approximations are obtained for torsional potentials of n-butane upon rotation about the central C-C bond and of its univalent radical n-butyl C2H5C·H2 upon rotation of the C·H2 group. All algorithms are implemented in the Maple package.

  7. Constraints on parity-mixing matrix elements from hard-pion exchange corrections to first-forbidden beta decays

    International Nuclear Information System (INIS)

    Kirchbach, M.

    1986-01-01

    In this paper the experience in extracting the value of the weak pion-nucleon coupling constant f/sub π//sup l/ from the parity-mixing matrix element + , T = 1; 1.042 MeV | V/sub PNC/ | O - , T = 0; 1.081 MeV> in 18 F is summarized with the aim to reveal some sources of uncertainties of the models exploited. We show that beyond of the long wavelenth approximation and in treating non-soft pion corrections to the two-body nuclear chiral charge density an upper bound for f/sub π//sup l/ is obtained which is about two times smaller as compared to results of previous analyses of similar character. Finally, we accentuate on the importance of the heavy-meson exchanges in the weak NN-potential for understanding recent measurement results of f/sub π//sup l/ which strongly deviate from earlier data. (author)

  8. The summation of the matrix elements of Hamiltonian and transition operators. The variance of the emission spectrum

    International Nuclear Information System (INIS)

    Karaziya, R.I.; Rudzikajte, L.S.

    1988-01-01

    The general method to obtain the explicit expressions for sums of the matrix elements of Hamiltonian and transition operators has been extended. It can be used for determining the main characteristics of atomic spectra, such as the mean energy, the variance, the asymmetry coefficient, etc., as well as for the average quantities which describe the configuration mixing. By mean of this method the formula for the variance of the emission spectrum has been derived. It has been shown that this quantity of the emission spectrum can be expressed by the variances of the energy spectra of the initial and final configurations and by additional terms, caused by the distribution of the intensity in spectrum

  9. The role of the tunneling matrix element and nuclear reorganization in the design of quantum-dot cellular automata molecules

    Science.gov (United States)

    Henry, Jackson; Blair, Enrique P.

    2018-02-01

    Mixed-valence molecules provide an implementation for a high-speed, energy-efficient paradigm for classical computing known as quantum-dot cellular automata (QCA). The primitive device in QCA is a cell, a structure with multiple quantum dots and a few mobile charges. A single mixed-valence molecule can function as a cell, with redox centers providing quantum dots. The charge configuration of a molecule encodes binary information, and device switching occurs via intramolecular electron transfer between dots. Arrays of molecular cells adsorbed onto a substrate form QCA logic. Individual cells in the array are coupled locally via the electrostatic electric field. This device networking enables general-purpose computing. Here, a quantum model of a two-dot molecule is built in which the two-state electronic system is coupled to the dominant nuclear vibrational mode via a reorganization energy. This model is used to explore the effects of the electronic inter-dot tunneling (coupling) matrix element and the reorganization energy on device switching. A semi-classical reduction of the model also is made to investigate the competition between field-driven device switching and the electron-vibrational self-trapping. A strong electron-vibrational coupling (high reorganization energy) gives rise to self-trapping, which inhibits the molecule's ability to switch. Nonetheless, there remains an expansive area in the tunneling-reorganization phase space where molecules can support adequate tunneling. Thus, the relationship between the tunneling matrix element and the reorganization energy affords significant leeway in the design of molecules viable for QCA applications.

  10. Characteristics of atmospheric single particles during haze periods in a typical urban area of Beijing: A case study in October, 2014.

    Science.gov (United States)

    Liu, Lang; Wang, Yanli; Du, Shiyong; Zhang, Wenjie; Hou, Lujian; Vedal, Sverre; Han, Bin; Yang, Wen; Chen, Mindong; Bai, Zhipeng

    2016-02-01

    To investigate the composition and possible sources of particles, especially during heavy haze pollution, a single particle aerosol mass spectrometer (SPAMS) was deployed to measure the changes of single particle species and sizes during October of 2014, in Beijing. A total of 2,871,431 particles with both positive and negative spectra were collected and characterized in combination with the adaptive resonance theory neural network algorithm (ART-2a). Eight types of particles were classified: dust particles (dust, 8.1%), elemental carbon (EC, 29.0%), organic carbon (OC, 18.0%), EC and OC combined particles (ECOC, 9.5%), Na-K containing particles (NaK, 7.9%), K-containing particles (K, 21.8%), organic nitrogen and potassium containing particles (KCN, 2.3%), and metal-containing particles (metal, 3.6%). Three haze pollution events (P1, P2, P3) and one clean period (clean) were analyzed, based on the mass and number concentration of PM2.5 and the back trajectory results from the hybrid single particle Lagrangian integrated trajectory model (Hysplit-4 model). Results showed that EC, OC and K were the major components of single particles during the three haze pollution periods, which showed clearly increased ratios compared with those in the clean period. Results from the mixing state of secondary species of different types of particles showed that sulfate and nitrate were more readily mixed with carbon-containing particles during haze pollution episodes than in clean periods. Copyright © 2015. Published by Elsevier B.V.

  11. Modal correlation of test and finite element results using cross orthogonality with a reduced mass matrix obtained by modal reduction and NASTRAN's Generalized Dynamic Reduction solution

    Science.gov (United States)

    Krebs, Derek; Budynas, Richard G.

    A common procedure for performing a cross orthogonality check for the purpose of modal correlation between the test and the finite element analysis results incorporates the Guyan reduction method to obtain a reduced mass matrix. This paper describes a procedure which uses NASTRAN's Generalized Dynamic Reduction solution routine which is much more accurate than the standard Guyan reduction solution and which offers the advantage of not requiring the selection of mdof. Using NASTRAN's DMAP programming methods, a modal reduction of the full analytical mass matrix is performed based on the accelerometer locations and the analytical modal matrix results. The accuracy of the procedure is illustrated in two case studies.

  12. Exact tensor hypercontraction: a universal technique for the resolution of matrix elements of local finite-range N-body potentials in many-body quantum problems.

    Science.gov (United States)

    Parrish, Robert M; Hohenstein, Edward G; Schunck, Nicolas F; Sherrill, C David; Martínez, Todd J

    2013-09-27

    Configuration-space matrix elements of N-body potentials arise naturally and ubiquitously in the Ritz-Galerkin solution of many-body quantum problems. For the common specialization of local, finite-range potentials, we develop the exact tensor hypercontraction method, which provides a quantized renormalization of the coordinate-space form of the N-body potential, allowing for a highly separable tensor factorization of the configuration-space matrix elements. This representation allows for substantial computational savings in chemical, atomic, and nuclear physics simulations, particularly with respect to difficult "exchangelike" contractions.

  13. Quantification of dermal exposure to nanoparticles from solid nanocomposites by using single particle ICP-MS

    DEFF Research Database (Denmark)

    Mackevica, Aiga; Olsson, Mikael Emil; Hansen, Steffen Foss

    2016-01-01

    was tested by surface wiping followed by analysis using single particle ICP-MS. The nanoparticles were extracted from the wipes by ultrasonication in deionized water, and this technique was tested to be around 60-100% effective for extracting the particles adsorbed to the wipes. The method was optimized......Engineered nanoparticles are used in various applications due to their unique properties, which has led to their widespread use in consumer products. Silver, titanium and copper-based nanoparticles are few of the most commonly used nanomaterials in consumer products, mainly due to their biocidal...... by spiking the wipes with known amounts of nanoparticles and treating them the same way as the experimental samples. Our preliminary results show that single particle ICP-MS has the potential for quantitatively measuring potential dermal exposure to nanoparticles, and when used in combination with other...

  14. Blowing Snow and Aerosol Composition: Bulk and Single Particle Measurements in Antarctica

    Science.gov (United States)

    DeCarlo, P. F.; Giordano, M.

    2017-12-01

    Recent evidence suggests that aerosol concentration and composition in the cryosphere is influenced by blowing snow, though the mechanisms remain unclear. Changes in aerosol composition due to blowing snow may significantly alter local and regional aerosol production, processing, transport, and lifetimes in the cryosphere. This presentation will focus on both bulk composition changes and single particle results from deploying an aerosol mass spectrometer (AMS) to the Antarctic sea ice during the 2ODIAC campaign, with a focus on blowing snow events. With this first on-line analysis, blowing snow clearly enhances the submicron sea salt (Na and Cl) concentrations in Antarctic aerosols. These bulk composition changes are shown to be independent from air mass origins. Single particle results from the AMS show a variety of chemical species in addition to sulfates in the submicron aerosol mass. K-means cluster analysis also shows distinct changes in the overall aerosol mass spectra during to blowing snow events.

  15. 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.

  16. 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.

  17. The advent of structural biologyin situby single particle cryo-electron tomography.

    Science.gov (United States)

    Galaz-Montoya, Jesús G; Ludtke, Steven J

    2017-01-01

    Single particle tomography (SPT), also known as subtomogram averaging, is a powerful technique uniquely poised to address questions in structural biology that are not amenable to more traditional approaches like X-ray crystallography, nuclear magnetic resonance, and conventional cryoEM single particle analysis. Owing to its potential for in situ structural biology at subnanometer resolution, SPT has been gaining enormous momentum in the last five years and is becoming a prominent, widely used technique. This method can be applied to unambiguously determine the structures of macromolecular complexes that exhibit compositional and conformational heterogeneity, both in vitro and in situ . Here we review the development of SPT, highlighting its applications and identifying areas of ongoing development.

  18. Comparison of mineral dust and droplet residuals measured with two single particle aerosol mass spectrometers

    Science.gov (United States)

    Wonaschütz, Anna; Ludwig, Wolfgang; Zawadowicz, Maria; Hiranuma, Naruki; Hitzenberger, Regina; Cziczo, Daniel; DeMott, Paul; Möhler, Ottmar

    2017-04-01

    Single Particle mass spectrometers are used to gain information on the chemical composition of individual aerosol particles, aerosol mixing state, and other valuable aerosol characteristics. During the Mass Spectrometry Intercomparison at the Fifth Ice Nucleation (FIN-01) Workshop, the new LAAPTOF single particle aerosol mass spectrometer (AeroMegt GmbH) was conducting simultaneous measurements together with the PALMS (Particle Analysis by Laser Mass Spectrometry) instrument. The aerosol particles were sampled from the AIDA chamber during ice cloud expansion experiments. Samples of mineral dust and ice droplet residuals were measured simultaneously. In this work, three expansion experiments are chosen for a comparison between the two mass spectrometers. A fuzzy clustering routine is used to group the spectra. Cluster centers describing the ensemble of particles are compared. First results show that while differences in the peak heights are likely due to the use of an amplifier in PALMS, cluster centers are comparable.

  19. 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.

  20. Insight into interrelation between single-particle and collective diffusion in binary melts

    Science.gov (United States)

    Levchenko, Elena V.; Evteev, Alexander V.

    2018-01-01

    The interrelation between the kinetics of single-particle (tracer) and collective diffusion in a binary melt is investigated theoretically within the framework of the Mori-Zwanzig formalism of statistical mechanics. An analytical expression for the Onsager coefficient for mass transport and two self-diffusion coefficients of species in a binary melt is derived using analysis based on the generalized Langevin equation. The derived expression naturally accounts for manifestation of microscopic (dynamic) cross-correlation effects in the kinetics of collective diffusion. Hence, it presents an explicit extension of the well-known Darken equation which is currently often used for expressing collective interdiffusion in terms of the two self-diffusion coefficients. An application of our analysis for interpretation of recent experimental data on the interrelation between the kinetics of single-particle and collective diffusion in Al-rich Ni-Al melts is demonstrated.

  1. 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.

  2. Three-dimensional single particle tracking in dense dust clouds by stereoscopy of fluorescent particles

    Science.gov (United States)

    Himpel, Michael; Killer, Carsten; Buttenschön, Birger; Melzer, André

    2012-12-01

    In dense dust clouds of a dusty plasma single particle trajectories are impossible to follow due to occlusion of particles and ambiguities in particle correspondences. By stereoscopic imaging of fluorescent tracer particles, we were able to reconstruct 3D single particle trajectories within dense dust clouds. Several measurements are shown that justify to regard the tracer particles as suitable representatives for the whole dust system. A first analysis of dust density waves in dense clouds already shows that these waves exhibit three-dimensional dynamics at larger wave amplitudes that cannot be resolved by 2D imaging techniques: a broad velocity distribution perpendicular to the oscillation plane due to dust-dust collisions is seen, while the velocity distribution in the oscillation direction is bimodal and shifted due to the bulk wave propagation.

  3. Three-dimensional single particle tracking in dense dust clouds by stereoscopy of fluorescent particles

    Energy Technology Data Exchange (ETDEWEB)

    Himpel, Michael; Killer, Carsten; Buttenschoen, Birger; Melzer, Andre [Ernst-Moritz-Arndt-University, 17489 Greifswald (Germany)

    2012-12-15

    In dense dust clouds of a dusty plasma single particle trajectories are impossible to follow due to occlusion of particles and ambiguities in particle correspondences. By stereoscopic imaging of fluorescent tracer particles, we were able to reconstruct 3D single particle trajectories within dense dust clouds. Several measurements are shown that justify to regard the tracer particles as suitable representatives for the whole dust system. A first analysis of dust density waves in dense clouds already shows that these waves exhibit three-dimensional dynamics at larger wave amplitudes that cannot be resolved by 2D imaging techniques: a broad velocity distribution perpendicular to the oscillation plane due to dust-dust collisions is seen, while the velocity distribution in the oscillation direction is bimodal and shifted due to the bulk wave propagation.

  4. 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)

  5. 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.

  6. Single particle Green's functions calculation of the electrical conductivity of strong correlated systems

    International Nuclear Information System (INIS)

    Rodrigues Junior, W.A.

    A calculation of the electrical conductivity for Hubbard materials is presented which is valid when U/t >> 1 (U being the Coulomb repulsion and t the nearest neighbor hopping energy) for arbitrary electron concentration and temperature. The derivation emploies the single particle Green's functions with real and imaginary times instead of the usual two-particle real time Green's function. The result is compared with the experimental data available for some organic charge transfer salts [pt

  7. A clustering approach to multireference alignment of single-particle projections in electron microscopy

    OpenAIRE

    Sorzano, C.O.S.; Bilbao-Castro, J.R.; Shkolnisky, Y.; Alcorlo, M.; Melero, R.; Caffarena-Fernández, G.; Li, M.; Xu, G.; Marabini, R.; Carazo, J.M.

    2010-01-01

    Two-dimensional analysis of projections of single particles acquired by an electron microscope is a useful tool to help identifying the different kinds of projections present in a dataset and their different projection directions. Such analysis is also useful to distinguish between different kinds of particles or different particle conformations. In this paper we introduce a new algorithm for performing two-dimensional multireference alignment and classification that is based on a Hierarchica...

  8. 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

  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. 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. 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...

  12. High rate discharge capability of single particle electrode of LiCoO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Dokko, Kaoru [Department of Chemistry and Biotechnology, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501 (Japan); Nakata, Natsuko; Kanamura, Kiyoshi [Department of Applied Chemistry, Tokyo Metropolitan University, 1-1 Minami-ohsawa, Hachioji, Tokyo 192-0397 (Japan)

    2009-04-01

    The electrochemical properties of a single particle of LiCoO{sub 2} (8 {mu}m in diameter) in an organic electrolyte were characterized using a microelectrode technique, and the high rate capability of commercially available micron-sized LiCoO{sub 2} was examined in this study. A Pt microfilament (10 {mu}m in diameter) was attached to the single LiCoO{sub 2} particle in the electrolyte during optical microscope observation, and galvanostatic charge-discharge tests were carried out. The discharge capacity of the single LiCoO{sub 2} particle (8 {mu}m diameter) was 0.157 nA h in the potential range of 3.0-4.2 V vs. Li/Li{sup +}, which was close to the theoretical capacity. The discharge rate capability of the single LiCoO{sub 2} particle was excellent, and the particle exhibited its full-discharge capacity up to a high rate of 30 C (5 nA). The discharge reaction of the single particle was not controlled by the solid-state diffusion of Li{sup +}, but by the charge transfer process at a rate lower than 30 C. The discharge capacity of the particle measured at a high rate of 300 C (50 nA) was 0.12 nA h, which was more than 75% of the full capacity of a single particle. (author)

  13. High rate discharge capability of single particle electrode of LiCoO 2

    Science.gov (United States)

    Dokko, Kaoru; Nakata, Natsuko; Kanamura, Kiyoshi

    The electrochemical properties of a single particle of LiCoO 2 (8 μm in diameter) in an organic electrolyte were characterized using a microelectrode technique, and the high rate capability of commercially available micron-sized LiCoO 2 was examined in this study. A Pt microfilament (10 μm in diameter) was attached to the single LiCoO 2 particle in the electrolyte during optical microscope observation, and galvanostatic charge-discharge tests were carried out. The discharge capacity of the single LiCoO 2 particle (8 μm diameter) was 0.157 nA h in the potential range of 3.0-4.2 V vs. Li/Li +, which was close to the theoretical capacity. The discharge rate capability of the single LiCoO 2 particle was excellent, and the particle exhibited its full-discharge capacity up to a high rate of 30 C (5 nA). The discharge reaction of the single particle was not controlled by the solid-state diffusion of Li +, but by the charge transfer process at a rate lower than 30 C. The discharge capacity of the particle measured at a high rate of 300 C (50 nA) was 0.12 nA h, which was more than 75% of the full capacity of a single particle.

  14. A new Insight Into Microscale Soil Organic Matter Dynamics - From Single Particles to Aggregates

    Science.gov (United States)

    Mueller, C. W.; Heister, K.; Hillion, F.; Herrmann, A. M.; Koegel-Knabner, I.

    2008-12-01

    Both mineral interactions and the spatial inaccessibility due to aggregation are key-factors affecting the stabilization of soil organic matter (SOM). Knowledge about the factors controlling the preservation of SOM and underlying stabilization mechanisms has improved significantly over the last years. Nevertheless, in situ processes remain almost unclear and are still challenging to evaluate. In the presented work, we studied the alteration of spatial distribution of fresh introduced OM over time on single particles and in intact soil aggregates. Single particles of a fine silt and clay mixture (resin embedded. Samples were then analyzed by scanning electron microscopy (SEM) and nano-scale secondary ion mass spectrometry (nanoSIMS50). We will demonstrate the spatial distribution of OM on single particles and in intact soil aggregates at the microscale by SEM and nanoSIMS. In addition, with the isotopic sensitivity of nanoSIMS, we are able to follow the fate of 13C and 15N, which is expected to be influenced by diffusion, sorption and microbial activity. From these results, we propose how OM in soil can be stabilized on single soil particles and at complex soil aggregates.

  15. Single-particle cryo-EM-Improved ab initio 3D reconstruction with SIMPLE/PRIME.

    Science.gov (United States)

    Reboul, Cyril F; Eager, Michael; Elmlund, Dominika; Elmlund, Hans

    2018-01-01

    Cryogenic electron microscopy (cryo-EM) and single-particle analysis now enables the determination of high-resolution structures of macromolecular assemblies that have resisted X-ray crystallography and other approaches. We developed the SIMPLE open-source image-processing suite for analysing cryo-EM images of single-particles. A core component of SIMPLE is the probabilistic PRIME algorithm for identifying clusters of images in 2D and determine relative orientations of single-particle projections in 3D. Here, we extend our previous work on PRIME and introduce new stochastic optimization algorithms that improve the robustness of the approach. Our refined method for identification of homogeneous subsets of images in accurate register substantially improves the resolution of the cluster centers and of the ab initio 3D reconstructions derived from them. We now obtain maps with a resolution better than 10 Å by exclusively processing cluster centers. Excellent parallel code performance on over-the-counter laptops and CPU workstations is demonstrated. © 2017 The Protein Society.

  16. Online single particle measurement of fireworks pollution during Chinese New Year in Nanning.

    Science.gov (United States)

    Li, Jingyan; Xu, Tingting; Lu, Xiaohui; Chen, Hong; Nizkorodov, Sergey A; Chen, Jianmin; Yang, Xin; Mo, Zhaoyu; Chen, Zhiming; Liu, Huilin; Mao, Jingying; Liang, Guiyun

    2017-03-01

    Time-resolved single-particle measurements were conducted during Chinese New Year in Nanning, China. Firework displays resulted in a burst of SO 2 , coarse mode, and accumulation mode (100-500nm) particles. Through single particle mass spectrometry analysis, five different types of particles (fireworks-metal, ash, dust, organic carbon-sulfate (OC-sulfate), biomass burning) with different size distributions were identified as primary emissions from firework displays. The fireworks-related particles accounted for more than 70% of the total analyzed particles during severe firework detonations. The formation of secondary particulate sulfate and nitrate during firework events was investigated on single particle level. An increase of sulfite peak (80SO 3 - ) followed by an increase of sulfate peaks (97HSO 4 - +96SO 4 - ) in the mass spectra during firework displays indicated the aqueous uptake and oxidation of SO 2 on particles. High concentration of gaseous SO 2 , high relative humidity and high particle loading likely promoted SO 2 oxidation. Secondary nitrate formed through gas-phase oxidation of NO 2 to nitric acid, followed by the condensation into particles as ammonium nitrate. This study shows that under worm, humid conditions, both primary and secondary aerosols contribute to the particulate air pollution during firework displays. Copyright © 2016. Published by Elsevier B.V.

  17. Automatic CTF correction for single particles based upon multivariate statistical analysis of individual power spectra.

    Science.gov (United States)

    Sander, B; Golas, M M; Stark, H

    2003-06-01

    Three-dimensional electron cryomicroscopy of randomly oriented single particles is a method that is suitable for the determination of three-dimensional structures of macromolecular complexes at molecular resolution. However, the electron-microscopical projection images are modulated by a contrast transfer function (CTF) that prevents the calculation of three-dimensional reconstructions of biological complexes at high resolution from uncorrected images. We describe here an automated method for the accurate determination and correction of the CTF parameters defocus, twofold astigmatism and amplitude-contrast proportion from single-particle images. At the same time, the method allows the frequency-dependent signal decrease (B factor) and the non-convoluted background signal to be estimated. The method involves the classification of the power spectra of single-particle images into groups with similar CTF parameters; this is done by multivariate statistical analysis (MSA) and hierarchically ascending classification (HAC). Averaging over several power spectra generates class averages with enhanced signal-to-noise ratios. The correct CTF parameters can be deduced from these class averages by applying an iterative correlation procedure with theoretical CTF functions; they are then used to correct the raw images. Furthermore, the method enables the tilt axis of the sample holder to be determined and allows the elimination of individual poor-quality images that show high drift or charging effects.

  18. 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.

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

    Science.gov (United States)

    Wang, Hongxiao; Liu, Haiguang

    2017-01-01

    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.

  20. A Measurement of the Top Quark Mass in 1.96 TeV Proton-Antiproton Collisions Using a Novel Matrix Element Method

    International Nuclear Information System (INIS)

    CDF Collaboration; Freeman, John; Freeman, John

    2007-01-01

    A measurement of the top quark mass in t(bar t) → l + jets candidate events, obtained from p(bar p) collisions at √s = 1.96 TeV at the Fermilab Tevatron using the CDF II detector, is presented. The measurement approach is that of a matrix element method. For each candidate event, a two dimensional likelihood is calculated in the top pole mass and a constant scale factor, 'JES', where JES multiplies the input particle jet momenta and is designed to account for the systematic uncertainty of the jet momentum reconstruction. As with all matrix element techniques, the method involves an integration using the Standard Model matrix element for t(bar t) production and decay. However, the technique presented is unique in that the matrix element is modified to compensate for kinematic assumptions which are made to reduce computation time. Background events are dealt with through use of an event observable which distinguishes signal from background, as well as through a cut on the value of an event's maximum likelihood. Results are based on a 955 pb -1 data sample, using events with a high-p T lepton and exactly four high-energy jets, at least one of which is tagged as coming from a b quark; 149 events pass all the selection requirements. They find M meas = 169.8 ± 2.3(stat.) ± 1.4(syst.) GeV/c 2

  1. Electric dipole moment function of the X1 Sigma/+/ state of CO - Vibration-rotation matrix elements for transitions of gas laser and astrophysical interest

    Science.gov (United States)

    Chackerian, C., Jr.

    1976-01-01

    The electric dipole moment function of the ground electronic state of carbon monoxide has been determined by combining numerical solutions of the radial Schrodinger equation with absolute intensity data of vibration-rotation bands. The derived dipole moment function is used to calculate matrix elements of interest to stellar astronomy and of importance in the carbon monoxide laser.

  2. MORSMATEL: a rapid and efficient code to calculate vibration-rotational matrix elements for r-dependent operators of two Morse oscillators

    Science.gov (United States)

    Lopez-Piñeiro, A.; Sanchez, M. L.; Moreno, B.

    1992-06-01

    The computer program MORSMATEL has been developed to calculate vibrational-rotational matrix elements of several r-dependent operators of two Morse oscillators. This code is based on a set of recurrence relations which are valid for any value of the power and of the quantum numbers v and J of each oscillator.

  3. Search for rare processes with a Z+bb signature at the LHC, with the matrix element method

    CERN Document Server

    Beluffi, Camille; Lemaitre, Vincent

    This thesis presents a detailed study of the final state with the Z boson decaying into two leptons, produced in the CMS detector at the LHC. In order to tag this topology, sophisticated b jet tagging algorithms have been used, and the calibration of one of them, the Jet Probability (JP) tagger is exposed. A study of the tagger degradation at high energy has been done and led to a small gain of performance. This investigation is followed by the search for the associated production of the standard model (SM) Higgs boson with a Z boson and decaying into two b quarks (ZH channel), using the Matrix Element Method (MEM) and two b-taggers: JP and Combined Secondary Vertex (CSV). The MEM is an advanced tool that produces an event-by-event discriminating variable, called weight. To apply it, several sets of transfer function have been produced. The final results give an observed limit on the ZH production cross section with the H → bb branching ratio of 5.46xσSM when using the CSV tagger and 4.89xσSM when using t...

  4. A novel approach for computing glueball masses and matrix elements in Yang-Mills theories on the lattice

    CERN Document Server

    Della Morte, Michele

    2011-01-01

    We make use of the global symmetries of the Yang-Mills theory on the lattice to design a new computational strategy for extracting glueball masses and matrix elements which achieves an exponential reduction of the statistical error with respect to standard techniques. By generalizing our previous work on the parity symmetry, the partition function of the theory is decomposed into a sum of path integrals each giving the contribution from multiplets of states with fixed quantum numbers associated to parity, charge conjugation, translations, rotations and central conjugations Z_N^3. Ratios of path integrals and correlation functions can then be computed with a multi-level Monte Carlo integration scheme whose numerical cost, at a fixed statistical precision and at asymptotically large times, increases power-like with the time extent of the lattice. The strategy is implemented for the SU(3) Yang--Mills theory, and a full-fledged computation of the mass and multiplicity of the lightest glueball with vacuum quantum ...

  5. Solvent dynamical effects in electron transfer: Evaluation of electronic matrix coupling elements for metallocene self-exchange reactions

    Science.gov (United States)

    McManis, George E.; Nielson, Roger M.; Gochev, Alexander; Weaver, Michael J.

    1989-07-01

    The functional dependence of the rate constants for self exchange, k sub ex, for a series of metallocene redox couples to solvent-induced variations in the nuclear frequency factor, nu, engendered by alterations in the longitudinal solvent relaxation time, tau sub L, are utilized to deduce values of the electronic matrix coupling element, H12, for electron exchange. The analysis exploits the sensitivity of the k sub ex tau sub L -1 dependence to the degree of reaction adiabaticity and hence H12 for a given electron exchange reaction. Six metallocene couples are examined: Cp2Co+/o, Cp2Fe+/o (Cp = cyclopentadienyl) and the decamethyl derivatives Cp2Co+/o and Cp2Fe+/o scrutinized previously, additional solvent-dependent k sub ex values for carboxymethyl (cobaltocenium-cobaltocene) (Cp(e)Z Co+/o, e= ester) and hydroxymethyl (ferrocenium-ferrocene) (HMFc+/o.) Kinetic data are examined in 15 solvents, including 11 debye solvents for which it is anticipated that is proportioned to 1/tau sub L. Corrections to k sub ex for the solvent-dependent variations in the barrier height were obtained by corresponding measurements of the optical electron transfer energies for the related binuclear complex biferrocenylacetylene, yielding barrier corrected rate constants, k sub ex. The relationship between H12 superscript o and metallocene electronic structure is briefly discussed. The analysis also enables effective solvent relaxation times for adiabatic barrier crossing in non-Debye media including primary alcohols, to be extracted.

  6. Multi-Target Angle Tracking Algorithm for Bistatic Multiple-Input Multiple-Output (MIMO Radar Based on the Elements of the Covariance Matrix

    Directory of Open Access Journals (Sweden)

    Zhengyan Zhang

    2018-03-01

    Full Text Available In this paper, we consider the problem of tracking the direction of arrivals (DOA and the direction of departure (DOD of multiple targets for bistatic multiple-input multiple-output (MIMO radar. A high-precision tracking algorithm for target angle is proposed. First, the linear relationship between the covariance matrix difference and the angle difference of the adjacent moment was obtained through three approximate relations. Then, the proposed algorithm obtained the relationship between the elements in the covariance matrix difference. On this basis, the performance of the algorithm was improved by averaging the covariance matrix element. Finally, the least square method was used to estimate the DOD and DOA. The algorithm realized the automatic correlation of the angle and provided better performance when compared with the adaptive asymmetric joint diagonalization (AAJD algorithm. The simulation results demonstrated the effectiveness of the proposed algorithm. The algorithm provides the technical support for the practical application of MIMO radar.

  7. Multi-Target Angle Tracking Algorithm for Bistatic Multiple-Input Multiple-Output (MIMO) Radar Based on the Elements of the Covariance Matrix.

    Science.gov (United States)

    Zhang, Zhengyan; Zhang, Jianyun; Zhou, Qingsong; Li, Xiaobo

    2018-03-07

    In this paper, we consider the problem of tracking the direction of arrivals (DOA) and the direction of departure (DOD) of multiple targets for bistatic multiple-input multiple-output (MIMO) radar. A high-precision tracking algorithm for target angle is proposed. First, the linear relationship between the covariance matrix difference and the angle difference of the adjacent moment was obtained through three approximate relations. Then, the proposed algorithm obtained the relationship between the elements in the covariance matrix difference. On this basis, the performance of the algorithm was improved by averaging the covariance matrix element. Finally, the least square method was used to estimate the DOD and DOA. The algorithm realized the automatic correlation of the angle and provided better performance when compared with the adaptive asymmetric joint diagonalization (AAJD) algorithm. The simulation results demonstrated the effectiveness of the proposed algorithm. The algorithm provides the technical support for the practical application of MIMO radar.

  8. Single particle electron microscopy reconstruction of the exosome complex using the random conical tilt method.

    Science.gov (United States)

    Liu, Xueqi; Wang, Hong-Wei

    2011-03-28

    Single particle electron microscopy (EM) reconstruction has recently become a popular tool to get the three-dimensional (3D) structure of large macromolecular complexes. Compared to X-ray crystallography, it has some unique advantages. First, single particle EM reconstruction does not need to crystallize the protein sample, which is the bottleneck in X-ray crystallography, especially for large macromolecular complexes. Secondly, it does not need large amounts of protein samples. Compared with milligrams of proteins necessary for crystallization, single particle EM reconstruction only needs several micro-liters of protein solution at nano-molar concentrations, using the negative staining EM method. However, despite a few macromolecular assemblies with high symmetry, single particle EM is limited at relatively low resolution (lower than 1 nm resolution) for many specimens especially those without symmetry. This technique is also limited by the size of the molecules under study, i.e. 100 kDa for negatively stained specimens and 300 kDa for frozen-hydrated specimens in general. For a new sample of unknown structure, we generally use a heavy metal solution to embed the molecules by negative staining. The specimen is then examined in a transmission electron microscope to take two-dimensional (2D) micrographs of the molecules. Ideally, the protein molecules have a homogeneous 3D structure but exhibit different orientations in the micrographs. These micrographs are digitized and processed in computers as "single particles". Using two-dimensional alignment and classification techniques, homogenous molecules in the same views are clustered into classes. Their averages enhance the signal of the molecule's 2D shapes. After we assign the particles with the proper relative orientation (Euler angles), we will be able to reconstruct the 2D particle images into a 3D virtual volume. In single particle 3D reconstruction, an essential step is to correctly assign the proper orientation

  9. An exploratory study of matrix elements of triangle I=3/2 K→ππ decays at next-to-leading order in the chiral expansion

    International Nuclear Information System (INIS)

    Boucaud, P.; Gimenez, V.; Lin, C.J.D.; Washington Univ., Seattle, WA; Lubicz, V.; Martinelli, G.; Papinutto, M.; Sachrajda, C.T.

    2004-12-01

    We present the first direct evaluation of ΔI=3/2 K → ππ matrix elements with the aim of determining all the low-energy constants at NLO in the chiral expansion. Our numerical investigation demonstrates that it is indeed possible to determine the K → ππ matrix elements directly for the masses and momenta used in the simulation with good precision. In this range however, we find that the matrix elements do not satisfy the predictions of NLO chiral perturbation theory. For the chiral extrapolation we therefore use a hybrid procedure which combines the observed polynomial behaviour in masses and momenta of our lattice results, with NLO chiral perturbation theory at lower masses. In this way we find stable results for the quenched matrix elements of the electroweak penguin operators ( I=2 left angle ππ vertical stroke O 8 vertical stroke K 0 right angle =(0.68±0.09) GeV 3 and I=2 left angle ππ vertical stroke O 7 vertical stroke K 0 right angle =(0.12±0.02) GeV 3 ), but not for the matrix elements of O 4 (for which there are too many low-energy constants at NLO for a reliable extrapolation). For all three operators we find that the effect of including the NLO corrections is significant (typically about 30%). We present a detailed discussion of the status of the prospects for the reduction of the systematic uncertainties. (orig.)

  10. Single Particle-Inductively Coupled Plasma Mass Spectroscopy Analysis of Metallic Nanoparticles in Environmental Samples with Large Dissolved Analyte Fractions.

    Science.gov (United States)

    Schwertfeger, D M; Velicogna, Jessica R; Jesmer, Alexander H; Scroggins, Richard P; Princz, Juliska I

    2016-10-18

    There is an increasing interest to use single particle-inductively coupled plasma mass spectroscopy (SP-ICPMS) to help quantify exposure to engineered nanoparticles, and their transformation products, released into the environment. Hindering the use of this analytical technique for environmental samples is the presence of high levels of dissolved analyte which impedes resolution of the particle signal from the dissolved. While sample dilution is often necessary to achieve the low analyte concentrations necessary for SP-ICPMS analysis, and to reduce the occurrence of matrix effects on the analyte signal, it is used here to also reduce the dissolved signal relative to the particulate, while maintaining a matrix chemistry that promotes particle stability. We propose a simple, systematic dilution series approach where by the first dilution is used to quantify the dissolved analyte, the second is used to optimize the particle signal, and the third is used as an analytical quality control. Using simple suspensions of well characterized Au and Ag nanoparticles spiked with the dissolved analyte form, as well as suspensions of complex environmental media (i.e., extracts from soils previously contaminated with engineered silver nanoparticles), we show how this dilution series technique improves resolution of the particle signal which in turn improves the accuracy of particle counts, quantification of particulate mass and determination of particle size. The technique proposed here is meant to offer a systematic and reproducible approach to the SP-ICPMS analysis of environmental samples and improve the quality and consistency of data generated from this relatively new analytical tool.

  11. Scattering matrix approach to non-stationary quantum transport

    CERN Document Server

    Moskalets, Michael V

    2012-01-01

    The aim of this book is to introduce the basic elements of the scattering matrix approach to transport phenomena in dynamical quantum systems of non-interacting electrons. This approach admits a physically clear and transparent description of transport processes in dynamical mesoscopic systems promising basic elements of solid-state devices for quantum information processing. One of the key effects, the quantum pump effect, is considered in detail. In addition, the theory for a recently implemented new dynamical source - injecting electrons with time delay much larger than the electron coherence time - is offered. This theory provides a simple description of quantum circuits with such a single-particle source and shows in an unambiguous way that the tunability inherent to the dynamical systems leads to a number of unexpected but fundamental effects.

  12. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions

    Science.gov (United States)

    Chen, Zhenhua; Chen, Xun; Wu, Wei

    2013-04-01

    In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.

  13. 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

  14. Single particle 3D reconstruction for 2D crystal images of membrane proteins.

    Science.gov (United States)

    Scherer, Sebastian; Arheit, Marcel; Kowal, Julia; Zeng, Xiangyan; Stahlberg, Henning

    2014-03-01

    In cases where ultra-flat cryo-preparations of well-ordered two-dimensional (2D) crystals are available, electron crystallography is a powerful method for the determination of the high-resolution structures of membrane and soluble proteins. However, crystal unbending and Fourier-filtering methods in electron crystallography three-dimensional (3D) image processing are generally limited in their performance for 2D crystals that are badly ordered or non-flat. Here we present a single particle image processing approach, which is implemented as an extension of the 2D crystallographic pipeline realized in the 2dx software package, for the determination of high-resolution 3D structures of membrane proteins. The algorithm presented, addresses the low single-to-noise ratio (SNR) of 2D crystal images by exploiting neighborhood correlation between adjacent proteins in the 2D crystal. Compared with conventional single particle processing for randomly oriented particles, the computational costs are greatly reduced due to the crystal-induced limited search space, which allows a much finer search space compared to classical single particle processing. To reduce the considerable computational costs, our software features a hybrid parallelization scheme for multi-CPU clusters and computer with high-end graphic processing units (GPUs). We successfully apply the new refinement method to the structure of the potassium channel MloK1. The calculated 3D reconstruction shows more structural details and contains less noise than the map obtained by conventional Fourier-filtering based processing of the same 2D crystal images. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

  15. Impact of KCl impregnation on single particle combustion of wood and torrefied wood

    DEFF Research Database (Denmark)

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

    2017-01-01

    In this work, single particle combustion of raw and torrefied 4 mm wood particles with different potassium content obtained by KCl impregnation and washing was studied experimentally under a condition of 1225 °C, 3.1% O2 and 26.1% H2O. The ignition time and devolatilization time depended almost......, and unchanged by torrefaction. Compared to the raw wood particle, the char conversion time was increased by torrefaction, decreased by washing, and almost unchanged by KCl impregnation due to its promoting effect on both char yield and reactivity....

  16. 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

  17. 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

  18. The free-electron laser - Maxwell's equations driven by single-particle currents

    Science.gov (United States)

    Colson, W. B.; Ride, S. K.

    1980-01-01

    It is shown that if single particle currents are coupled to Maxwell's equations, the resulting set of self-consistent nonlinear equations describes the evolution of the electron beam and the amplitude and phase of the free-electron-laser field. The formulation is based on the slowly varying amplitude and phase approximation, and the distinction between microscopic and macroscopic scales, which distinguishes the microscopic bunching from the macroscopic pulse propagation. The capabilities of this new theoretical approach become apparent when its predictions for the ultrashort pulse free-electron laser are compared to experimental data; the optical pulse evolution, determined simply and accurately, agrees well with observations.

  19. Uncovering non-ergodicity on the cell membrane using single particle tracking approaches

    OpenAIRE

    Symeonidou Besi, Parthena

    2013-01-01

    Treball final de màster oficial fet en col·laboració amb Universitat Autònoma de Barcelona (UAB), Universitat de Barcelona (UB) i Institut de Ciències Fotòniques (ICFO) [ANGLES] In this work, we study the diffusion on the plasma membrane of the receptor DC-SIGN. The data we used were obtained by Single Particle Tracking technique and hence consist of individual trajectories. Motivated by investigating the dynamics of this receptor, our analysis comprises not only of standard statistical ap...

  20. Effects of single particle on shape phase transitions and phase coexistence in odd-even nuclei

    Science.gov (United States)

    Yu, Xiang-Ru; Hu, Jing; Li, Xiao-Xue; An, Si-Yu; Zhang, Yu

    2018-02-01

    A classical analysis of shape phase transitions and phase coexistence in odd-even nuclei has been performed in the framework of the interacting boson-fermion model. The results indicate that the effects of a single particle may influence different types of transitions in different ways. Especially, it is revealed that phase coexistence can clearly emerge in the critical region and thus be taken as a indicator of the shape phase transitions in odd-even nuclei. Supported by National Natural Science Foundation of China (11375005)

  1. Single-particle spectral function of a generalized Hubbard model: Metal-insulator transition

    Science.gov (United States)

    Gagliano, E. R.; Aligia, A. A.; Arrachea, Liliana; Avignon, Michel

    1995-05-01

    A generalized Hubbard model with correlated hoppings is studied at half filling using exact diagonalization methods. For certain values of the hopping parameters our results for several static properties, the Drude weight and the single-particle spectra function, suggest the occurrence of a metal-insulator transition (MIT) at a finite value of the local Coulomb interaction Uc. We identify the regions of the hopping parameters where the MIT is of the Mott type. In these regions, for large U

  2. Single particle ICP-MS characterization of titanium dioxide, silver, and gold nanoparticles during drinking water treatment.

    Science.gov (United States)

    Donovan, Ariel R; Adams, Craig D; Ma, Yinfa; Stephan, Chady; Eichholz, Todd; Shi, Honglan

    2016-02-01

    One of the most direct means for human exposure to nanoparticles (NPs) released into the environment is drinking water. Therefore, it is critical to understand the occurrence and fate of NPs in drinking water systems. The objectives of this study were to develop rapid and reliable analytical methods and apply them to investigate the fate and transportation of NPs during drinking water treatments. Rapid single particle ICP-MS (SP-ICP-MS) methods were developed to characterize and quantify titanium-containing, titanium dioxide, silver, and gold NP concentration, size, size distribution, and dissolved metal element concentration in surface water and treated drinking water. The effectiveness of conventional drinking water treatments (including lime softening, alum coagulation, filtration, and disinfection) to remove NPs from surface water was evaluated using six-gang stirrer jar test simulations. The selected NPs were nearly completely (97 ± 3%) removed after lime softening and alum coagulation/activated carbon adsorption treatments. Additionally, source and drinking waters from three large drinking water treatment facilities utilizing similar treatments with the simulation test were collected and analyzed by the SP-ICP-MS methods. Ti-containing particles and dissolved Ti were present in the river water samples, but Ag and Au were not present. Treatments used at each drinking water treatment facility effectively removed over 93% of the Ti-containing particles and dissolved Ti from the source water. Copyright © 2015 Elsevier Ltd. All rights reserved.

  3. Single-particle potential of the Λ hyperon in nuclear matter with chiral effective field theory NLO interactions including effects of Y N N three-baryon interactions

    Science.gov (United States)

    Kohno, M.

    2018-03-01

    Adopting hyperon-nucleon and hyperon-nucleon-nucleon interactions parametrized in chiral effective field theory, single-particle potentials of the Λ and Σ hyperons are evaluated in symmetric nuclear matter and in pure neutron matter within the framework of lowest-order Bruckner theory. The chiral NLO interaction bears strong Λ N -Σ N coupling. Although the Λ potential is repulsive if the coupling is switched off, the Λ N -Σ N correlation brings about the attraction consistent with empirical data. The Σ potential is repulsive, which is also consistent with empirical information. The interesting result is that the Λ potential becomes shallower beyond normal density. This provides the possibility of solving the hyperon puzzle without introducing ad hoc assumptions. The effects of the Λ N N -Λ N N and Λ N N -Σ N N three-baryon forces are considered. These three-baryon forces are first reduced to normal-ordered effective two-baryon interactions in nuclear matter and then incorporated in the G -matrix equation. The repulsion from the Λ N N -Λ N N interaction is of the order of 5 MeV at normal density and becomes larger with increasing density. The effects of the Λ N N -Σ N N coupling compensate the repulsion at normal density. The net effect of the three-baryon interactions on the Λ single-particle potential is repulsive at higher densities.

  4. In-situ determination of metallic variation and multi-association in single particles by combining synchrotron microprobe, sequential chemical extraction and multivariate statistical analysis.

    Science.gov (United States)

    Zhu, Yu-Min; Zhang, Hua; Fan, Shi-Suo; Wang, Si-Jia; Xia, Yi; Shao, Li-Ming; He, Pin-Jing

    2014-07-15

    Due to the heterogeneity of metal distribution, it is challenging to identify the speciation, source and fate of metals in solid samples at micro scales. To overcome these challenges single particles of air pollution control residues were detected in situ by synchrotron microprobe after each step of chemical extraction and analyzed by multivariate statistical analysis. Results showed that Pb, Cu and Zn co-existed as acid soluble fractions during chemical extraction, regardless of their individual distribution as chlorides or oxides in the raw particles. Besides the forms of Fe2O3, MnO2 and FeCr2O4, Fe, Mn, Cr and Ni were closely associated with each other, mainly as reducible fractions. In addition, the two groups of metals had interrelations with the Si-containing insoluble matrix. The binding could not be directly detected by micro-X-ray diffraction (μ-XRD) and XRD, suggesting their partial existence as amorphous forms or in the solid solution. The combined method on single particles can effectively determine metallic multi-associations and various extraction behaviors that could not be identified by XRD, μ-XRD or X-ray absorption spectroscopy. The results are useful for further source identification and migration tracing of heavy metals. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Structural defect induced peak splitting in gold-copper bimetallic nanorods during growth by single particle spectroscopy.

    Science.gov (United States)

    Thota, Sravan; Chen, Shutang; Zhou, Yadong; Zhang, Yong; Zou, Shengli; Zhao, Jing

    2015-09-21

    A single particle level study of bimetallic nanoparticle growth provides valuable information that is usually hidden in ensemble measurements, helping to improve the understanding of a reaction mechanism and overcome the synthetic challenges. In this study, we use single particle spectroscopy to monitor the changes in the scattering spectra of Au-Cu alloy nanorods during growth. We found that the unique features of the single particle scattering spectra were due to atomic level geometric defects in the nanorods. Electrodynamics simulations have demonstrated that small structural defects of a few atomic layers split the scattering peaks, giving rise to higher order modes, which do not exist in defect-free rods of similar geometry. The study shows that single particle scattering technique is as sensitive as high-resolution electron microscopy in revealing atomic level structural defects.

  6. Discrete element modeling of powder consolidation and the formation of titanium-matrix composites from powder-fiber monotapes

    Science.gov (United States)

    Newell, Kenneth James

    A three year research effort is completed with the development of the Discrete Element Consolidation Analyzer (DECA) for process modeling the formation of titanium composites from powder-fiber monotapes. The primary goal of the DECA process model is to provide a statistically realistic analysis of the various physical processes necessary to achieve higher quality composites from the powder-fiber technique. Over the course of this effort, research and code development was conducted in three distinct stages. The first stage focused on the simulation of initial geometry of the powder and fibers as well as the evolution of tape configuration during the pre-consolidation processing steps. The second stage developed the mechanics of the discrete element powder consolidation and the material characterization methods necessary to model the viscoplastic response of the powder to transient thermal and mechanical boundary conditions. The final stage incorporated the presence of fibers to evaluate the interaction mechanics and possible fibers damage resulting from discrete powder-fiber contacts. As a conclusion to the research, DECA model predictions of density versus time for various consolidation profiles are directly compared to actual consolidation test results and a DECA prescribed process profile is used to fabricate a 6sp{''} × 6sp{''} composite panel of Ti-6242/SCS-6. In completing this research, the discrete element modeling technique has proven to be a powerful tool for the analysis and simulation of metal powder consolidation as well as the consolidation of metal matrix composites. The DECA code orchestrates the use of particle kinetics, some simple aspects of gas dynamics, elasticity, plasticity, creep and various innovative material characterization methods to produce a seamless analysis for powder metallurgy processing of composites. Through the application of the DECA capability, many aspects of the processing stages have been elucidated for further

  7. 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)

  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. Shape evolution and single particle luminescence of organometal halide perovskite nanocrystals.

    Science.gov (United States)

    Zhu, Feng; Men, Long; Guo, Yijun; Zhu, Qiaochu; Bhattacharjee, Ujjal; Goodwin, Peter M; Petrich, Jacob W; Smith, Emily A; Vela, Javier

    2015-03-24

    Organometallic halide perovskites CH3NH3PbX3 (X = I, Br, Cl) have quickly become one of the most promising semiconductors for solar cells, with photovoltaics made of these materials reaching power conversion efficiencies of near 20%. Improving our ability to harness the full potential of organometal halide perovskites will require more controllable syntheses that permit a detailed understanding of their fundamental chemistry and photophysics. In this manuscript, we systematically synthesize CH3NH3PbX3 (X = I, Br) nanocrystals with different morphologies (dots, rods, plates or sheets) by using different solvents and capping ligands. CH3NH3PbX3 nanowires and nanorods capped with octylammonium halides show relatively higher photoluminescence (PL) quantum yields and long PL lifetimes. CH3NH3PbI3 nanowires monitored at the single particle level show shape-correlated PL emission across whole particles, with little photobleaching observed and very few off periods. This work highlights the potential of low-dimensional organometal halide perovskite semiconductors in constructing new porous and nanostructured solar cell architectures, as well as in applying these materials to other fields such as light-emitting devices and single particle imaging and tracking.

  10. Pairing in the BCS and LN approximations using continuum single particle level density

    Energy Technology Data Exchange (ETDEWEB)

    Id Betan, R.M., E-mail: idbetan@ifir-conicet.gov.ar [Instituto de Física Rosario (CONICET-UNR), Bv. 27 de Febrero 210 bis, S2000EZP Rosario (Argentina); Facultad de Ciencias Exactas, Ingeniería y Agrimensura (UNR), Av. Pellegrini 250, S2000BTP Rosario (Argentina); Instituto de Estudios Nucleares y Radiaciones Ionizantes (UNR), Riobamba y Berutti, S2000EKA Rosario (Argentina); Repetto, C.E. [Instituto de Física Rosario (CONICET-UNR), Bv. 27 de Febrero 210 bis, S2000EZP Rosario (Argentina); Facultad de Ciencias Exactas, Ingeniería y Agrimensura (UNR), Av. Pellegrini 250, S2000BTP Rosario (Argentina)

    2017-04-15

    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.

  11. Bidirectional reflectance spectroscopy 7. The single particle phase function hockey stick relation

    Science.gov (United States)

    Hapke, Bruce

    2012-11-01

    The measured volume-average single particle angular scattering functions of a large number of types of particle of interest for planetary regoliths in the visible-near-IR wavelength region can be represented to a reasonable approximation by two-parameter, double Henyey-Greenstein functions. When the two parameters of this function are plotted against one another they are found to be inversely correlated and lie within a restricted zone shaped like a hockey stick within the parameter space. The centroid of the zone is a curve that can be represented by a simple empirical equation. The wide variety of types of particles used to construct the plot implies that this equation may represent most of the particles found in regoliths. This means that when modeling the bidirectional reflectance of a regolith it may be possible to reduce the number of parameters necessary to specify the reflectance, and also to characterize the entire single particle phase function from observations at phase angles less than 90°. Even if the hockey stick relation has a finite width, rather than being a line, it restricts the parameter space that must be searched when fitting data. The curve should also be useful for forward modeling particle phase functions.

  12. Single Particle Cryo-electron Microscopy and 3-D Reconstruction of Viruses

    Science.gov (United States)

    Guo, Fei; Jiang, Wen

    2014-01-01

    With fast progresses in instrumentation, image processing algorithms, and computational resources, single particle electron cryo-microscopy (cryo-EM) 3-D reconstruction of icosahedral viruses has now reached near-atomic resolutions (3–4 Å). With comparable resolutions and more predictable outcomes, cryo-EM is now considered a preferred method over X-ray crystallography for determination of atomic structure of icosahedral viruses. At near-atomic resolutions, all-atom models or backbone models can be reliably built that allow residue level understanding of viral assembly and conformational changes among different stages of viral life cycle. With the developments of asymmetric reconstruction, it is now possible to visualize the complete structure of a complex virus with not only its icosahedral shell but also its multiple non-icosahedral structural features. In this chapter, we will describe single particle cryo-EM experimental and computational procedures for both near-atomic resolution reconstruction of icosahedral viruses and asymmetric reconstruction of viruses with both icosahedral and non-icosahedral structure components. Procedures for rigorous validation of the reconstructions and resolution evaluations using truly independent de novo initial models and refinements are also introduced. PMID:24357374

  13. Mask-based approach to phasing of single-particle diffraction data.

    Science.gov (United States)

    Lunin, Vladimir Y; Lunina, Natalia L; Petrova, Tatiana E; Baumstark, Manfred W; Urzhumtsev, Alexandre G

    2016-01-01

    A Monte Carlo-type approach for low- and medium-resolution phasing of single-particle diffraction data is suggested. Firstly, the single-particle phase problem is substituted with the phase problem for an imaginary crystal. A unit cell of this crystal contains a single isolated particle surrounded by a large volume of bulk solvent. The developed phasing procedure then generates a large number of connected and finite molecular masks, calculates their Fourier coefficients, selects the sets with magnitudes that are highly correlated with the experimental values and finally aligns the selected phase sets and calculates the averaged phase values. A test with the known structure of monomeric photosystem II resulted in phases that have 97% correlation with the exact phases in the full 25 Å resolution shell (1054 structure factors) and correlations of 99, 94, 81 and 79% for the resolution shells ∞-60, 60-40, 40-30 and 30-25 Å, respectively. The same procedure may be used for crystallographic ab initio phasing.

  14. Silver nanoflowers for single-particle SERS with 10 pM sensitivity.

    Science.gov (United States)

    Roy, Shrawan; Muhammed Ajmal, C; Baik, Seunghyun; Kim, Jeongyong

    2017-11-17

    Surface-enhanced Raman scattering (SERS) has received considerable attention as a noninvasive optical sensing technique with ultrahigh sensitivity. While numerous types of metallic particles have been actively investigated as SERS substrates, the development of new SERS agents with high sensitivity and their reliable characterization are still required. Here we report the preparation and characterization of flower-shaped silver (Ag) nanoparticles that exhibit high-sensitivity single-particle SERS performance. Ag nanoflowers (NFs) with bud sizes in the range 220-620 nm were synthesized by the wet synthesis method. The densely packed nanoscale petals with thicknesses in the range 9-22 nm exhibit a large number of hot spots that significantly enhance their plasmonic activity. A single Ag NF particle (530-620 nm) can detect as little as 10 -11 M 4-mercaptobenzoic acid, and thus provides a sensitivity three orders of SERS magnitude greater than that of a spherical Ag nanoparticle. The analytical enhancement factors for single Ag NF particles were found to be as high as 8.0 × 10 9 , providing unprecedented high SERS detectivity at the single particle level. Here we present an unambiguous and systematic assessment of the SERS performances of the Ag NFs and demonstrate that they provide highly sensitive sensing platforms by single SERS particle.

  15. Detection of isolated protein-bound metal ions by single-particle cryo-STEM.

    Science.gov (United States)

    Elad, Nadav; Bellapadrona, Giuliano; Houben, Lothar; Sagi, Irit; Elbaum, Michael

    2017-10-17

    Metal ions play essential roles in many aspects of biological chemistry. Detecting their presence and location in proteins and cells is important for understanding biological function. Conventional structural methods such as X-ray crystallography and cryo-transmission electron microscopy can identify metal atoms on protein only if the protein structure is solved to atomic resolution. We demonstrate here the detection of isolated atoms of Zn and Fe on ferritin, using cryogenic annular dark-field scanning transmission electron microscopy (cryo-STEM) coupled with single-particle 3D reconstructions. Zn atoms are found in a pattern that matches precisely their location at the ferroxidase sites determined earlier by X-ray crystallography. By contrast, the Fe distribution is smeared along an arc corresponding to the proposed path from the ferroxidase sites to the mineral nucleation sites along the twofold axes. In this case the single-particle reconstruction is interpreted as a probability distribution function based on the average of individual locations. These results establish conditions for detection of isolated metal atoms in the broader context of electron cryo-microscopy and tomography.

  16. 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

    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. PMID:28786986

  17. Fourier transforms of single-particle wave functions in cylindrical coordinates

    International Nuclear Information System (INIS)

    Rizea, M.; Carjan, N.

    2016-01-01

    A formalism and the corresponding numerical procedures that calculate the Fourier transform of a single-particle wave function defined on a grid of cylindrical (ρ, z) coordinates is presented. Single-particle states in spherical and deformed nuclei have been chosen in view of future applications in the field of nuclear reactions. Bidimensional plots of the probability that the nucleon's momentum has a given value K = √(k ρ 2 +k z 2 ) are produced and from them the K -distributions are deduced. Three potentials have been investigated: (a) a sharp surface spherical well (i.e., of constant depth), (b) a spherical Woods-Saxon potential (i.e., diffuse surface) and (c) a deformed potential of Woods-Saxon type. In the first case the momenta are as well defined as allowed by the uncertainty principle. Depending on the state, their distributions have up to three separated peaks as a consequence of the up to three circular ridges of the bidimensional probabilities plots. In the second case the diffuseness allows very low momenta to be always populated thus creating tails towards the origin (K = 0). The peaks are still present but not well separated. In the third case the deformation transforms the above mentioned circular ridges into ellipses thus spreading the K-values along them. As a consequence the K-distributions have only one broad peak. (orig.)

  18. 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.

  19. Low cost, high performance processing of single particle cryo-electron microscopy data in the cloud.

    Science.gov (United States)

    Cianfrocco, Michael A; Leschziner, Andres E

    2015-05-08

    The advent of a new generation of electron microscopes and direct electron detectors has realized the potential of single particle cryo-electron microscopy (cryo-EM) as a technique to generate high-resolution structures. Calculating these structures requires high performance computing clusters, a resource that may be limiting to many likely cryo-EM users. To address this limitation and facilitate the spread of cryo-EM, we developed a publicly available 'off-the-shelf' computing environment on Amazon's elastic cloud computing infrastructure. This environment provides users with single particle cryo-EM software packages and the ability to create computing clusters with 16-480+ CPUs. We tested our computing environment using a publicly available 80S yeast ribosome dataset and estimate that laboratories could determine high-resolution cryo-EM structures for $50 to $1500 per structure within a timeframe comparable to local clusters. Our analysis shows that Amazon's cloud computing environment may offer a viable computing environment for cryo-EM.

  20. Single-Particle Cryo-EM of the Ryanodine Receptor Channel in an Aqueous Environment.

    Science.gov (United States)

    Baker, Mariah R; Fan, Guizhen; Serysheva, Irina I

    2015-01-07

    Ryanodine receptors (RyRs) are tetrameric ligand-gated Ca(2+) release channels that are responsible for the increase of cytosolic Ca(2+) concentration leading to muscle contraction. Our current understanding of RyR channel gating and regulation is greatly limited due to the lack of a high-resolution structure of the channel protein. The enormous size and unwieldy shape of Ca(2+) release channels make X-ray or NMR methods difficult to apply for high-resolution structural analysis of the full-length functional channel. Single-particle electron cryo-microscopy (cryo-EM) is one of the only effective techniques for the study of such a large integral membrane protein and its molecular interactions. Despite recent developments in cryo-EM technologies and break-through single-particle cryo-EM studies of ion channels, cryospecimen preparation, particularly the presence of detergent in the buffer, remains the main impediment to obtaining atomic-resolution structures of ion channels and a multitude of other integral membrane protein complexes. In this review we will discuss properties of several detergents that have been successfully utilized in cryo-EM studies of ion channels and the emergence of the detergent alternative amphipol to stabilize ion channels for structure-function characterization. Future structural studies of challenging specimen like ion channels are likely to be facilitated by cryo-EM amenable detergents or alternative surfactants.

  1. 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.

  2. 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.

  3. Neutral kaon mixing beyond the Standard Model with nf=2+1 chiral fermions. Part 1: bare matrix elements and physical results

    International Nuclear Information System (INIS)

    Garron, Nicolas; Hudspith, Renwick J.; Lytle, Andrew T.

    2016-01-01

    We compute the hadronic matrix elements of the four-quark operators relevant for K 0 −K̄ 0 mixing beyond the Standard Model. Our results are from lattice QCD simulations with n f =2+1 flavours of domain-wall fermion, which exhibit continuum-like chiral-flavour symmetry. The simulations are performed at two different values of the lattice spacing (a∼0.08 and a∼0.11 fm) and with lightest unitary pion mass ∼300 MeV. For the first time, the full set of relevant four-quark operators is renormalised non-perturbatively through RI-SMOM schemes; a detailed description of the renormalisation procedure is presented in a companion paper. We argue that the intermediate renormalisation scheme is responsible for the discrepancies found by different collaborations. We also study different normalisations and determine the matrix elements of the relevant four-quark operators with a precision of ∼5% or better.

  4. Certified reference material for analytical quality assurance of minor and trace elements in food and related matrixes based on a typical Japanese diet: interlaboratory study.

    Science.gov (United States)

    Joshinaga, J; Morita, M; Yukawa, M; Shiraishi, K; Kawamura, H

    2001-01-01

    A Certified Reference Material (CRM) was prepared at the National Institute for Environmental Studies (NIES), Japan, in collaboration with the National Institute of Radiological Sciences (NIRS), Japan, for the analytical quality assurance of minor and trace elements in food and related matrixes. The starting material for the CRM was all food served in 29 households in Japan over two 3-day periods in 1997-1998, and thus the CRM represented a typical Japanese diet. All foods (meals, snacks, and beverages) were homogenized, freeze-dried, pulverized, blended, dispensed into 1,100 bottles, and sterilized. The within- and between-bottle homogeneity of the prepared CRM was satisfactory for most of the elements. The concentrations of 14 elements (Na, Mg, K, Ca, Mn, Cu, Zn, As, Se, Sr, Cd, Sn, Ba, and U) were certified based on a collaborative analysis involving NIES, NIRS, and 20 other laboratories. Reference values were given for the concentrations of 12 additional elements (P, Cl, Fe, Co, Ni, Br, Rb, Mo, I, Cs, Pb, and Th). The elements certified and those given reference values include minerals, essential trace elements, contaminant elements, and long-lived radionuclides. Thus, this CRM is of practical value in the quality assurance of element analysis of foods and diets in nutritional, environmental, and radiological research.

  5. Application of dot matrix LCD in multi-element portable X-ray fluorescence spectrometry The LCD is stated for Liquid Crystal Display

    CERN Document Server

    Lin Yan Chang; Lai Wan Chang; Zhou Si Chun

    2002-01-01

    Dot matrix LCD based on T6963C is a low power supply module. It needs no complex interface circuits connecting with MCU. Application in text and graphics is easy. Application of this LCD in multi-element portable XRF spectrometry is show. How to use it in Chinese, pull-down menu, spectrum and how to design the interface circuits with embedded computer are shown as well

  6. A Measurement of the Top Quark Mass with the D0 Detector at s**(1/2) = 1.96-TeV using the Matrix Element Method

    Energy Technology Data Exchange (ETDEWEB)

    Kroeninger, Kevin Alexander; /Bonn U.

    2004-04-01

    Using a data set of 158 and 169 pb{sup -1} of D0 Run-II data in the electron and muon plus jets channel, respectively, the top quark mass has been measured using the Matrix Element Method. The method and its implementation are described. Its performance is studied in Monte Carlo using ensemble tests and the method is applied to the Moriond 2004 data set.

  7. Spin density matrix elements in exclusive ρ 0 electroproduction on 1H and 2H targets at 27.5 GeV beam energy

    Science.gov (United States)

    Airapetian, A.; Akopov, N.; Akopov, Z.; Andrus, A.; Aschenauer, E. C.; Augustyniak, W.; Avakian, R.; Avetissian, A.; Avetissian, E.; Belostotski, S.; Bianchi, N.; Blok, H. P.; Böttcher, H.; Bonomo, C.; Borissov, A.; Brüll, A.; Bryzgalov, V.; Capiluppi, M.; Capitani, G. P.; Cisbani, E.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P. F.; Deconinck, W.; de Leo, R.; Demey, M.; de Nardo, L.; de Sanctis, E.; Diefenthaler, M.; di Nezza, P.; Dreschler, J.; Düren, M.; Ehrenfried, M.; Elalaoui-Moulay, A.; Elbakian, G.; Ellinghaus, F.; Elschenbroich, U.; Fabbri, R.; Fantoni, A.; Felawka, L.; Frullani, S.; Funel, A.; Gabbert, D.; Gapienko, G.; Gapienko, V.; Garibaldi, F.; Gavrilov, G.; Gharibyan, V.; Giordano, F.; Gliske, S.; Grebeniouk, O.; Gregor, I. M.; Guler, H.; Hadjidakis, C.; Hartig, M.; Hasch, D.; Hasegawa, T.; Hesselink, W. H. A.; Hill, G.; Hillenbrand, A.; Hoek, M.; Holler, Y.; Hommez, B.; Hristova, I.; Iarygin, G.; Imazu, Y.; Ivanilov, A.; Izotov, A.; Jackson, H. E.; Jgoun, A.; Kaiser, R.; Keri, T.; Kinney, E.; Kisselev, A.; Kobayashi, T.; Kopytin, M.; Korotkov, V.; Kozlov, V.; Kravchenko, P.; Krivokhijine, V. G.; Lagamba, L.; Lamb, R.; Lapikás, L.; Lehmann, I.; Lenisa, P.; Liebing, P.; Linden-Levy, L. A.; Lorenzon, W.; Lu, S.; Lu, X.-R.; Ma, B.-Q.; Maiheu, B.; Makins, N. C. R.; Manaenkov, S. I.; Mao, Y.; Marianski, B.; Marukyan, H.; Mexner, V.; Miller, C. A.; Miyachi, Y.; Muccifora, V.; Murray, M.; Mussgiller, A.; Nagaitsev, A.; Nappi, E.; Naryshkin, Y.; Nass, A.; Negodaev, M.; Nowak, W.-D.; Osborne, A.; Pappalardo, L. L.; Perez-Benito, R.; Pickert, N.; Raithel, M.; Reggiani, D.; Reimer, P. E.; Reischl, A.; Reolon, A. R.; Riedl, C.; Rith, K.; Rock, S. E.; Rosner, G.; Rostomyan, A.; Rubacek, L.; Rubin, J.; Ryckbosch, D.; Salomatin, Y.; Sanjiev, I.; Schäfer, A.; Schnell, G.; Schüler, K. P.; Seitz, B.; Shearer, C.; Shibata, T.-A.; Shutov, V.; Stancari, M.; Statera, M.; Steffens, J. E.; Steijger, J. J. M.; Stenzel, H.; Stewart, J.; Stinzing, F.; Streit, J.; Tait, P.; Taroian, S.; Tchuiko, B.; Terkulov, A.; Trzcinski, A.; Tytgat, M.; Vandenbroucke, A.; van der Nat, P. B.; van der Steenhoven, G.; van Haarlem, Y.; van Hulse, C.; Varanda, M.; Veretennikov, D.; Vikhrov, V.; Vilardi, I.; Vogel, C.; Wang, S.; Yaschenko, S.; Ye, H.; Ye, Y.; Ye, Z.; Yen, S.; Yu, W.; Zeiler, D.; Zihlmann, B.; Zupranski, P.

    2009-08-01

    Spin Density Matrix Elements (SDMEs) describing the angular distribution of exclusive ρ 0 electroproduction and decay are determined in the HERMES experiment with 27.6 GeV beam energy and unpolarized hydrogen and deuterium targets. Eight (fifteen) SDMEs that are related (unrelated) to the longitudinal polarization of the beam are extracted in the kinematic region 1exchange amplitudes; these amplitudes are naturally generated with a quark-exchange mechanism.

  8. Measurement of the matrix elements for the decays eta -> pi(+)pi(-)pi(0) and eta/eta ' -> pi(0)pi(0)pi(0)

    NARCIS (Netherlands)

    Ablikim, M.; Achasov, M. N.; Ai, X.C.; Albayrak, O.; Albrecht, M.; Ambrose, D. J.; Amoroso, A.; Haddadi, Z.; Kalantar-Nayestanaki, N.; Kavatsyuk, M.; Loehner, H.; Messchendorp, J.G.; Tiemens, M.

    2015-01-01

    Based on a sample of 1.31 x 10(9) J/psi events collected with the BESIII detector at the BEPCII collider, Dalitz plot analyses of selected 79,625 eta -> pi(+)pi(-)pi(0) events, 33,908 eta -> pi(0)pi(0)pi(0) events, and 1,888 eta' -> pi(0)pi(0)pi(0) events are performed. The measured matrix elements

  9. A Measurement of the Top Quark Mass in 1.96 TeV Proton-Antiproton Collisions Using a Novel Matrix Element Method

    Energy Technology Data Exchange (ETDEWEB)

    Freeman, John [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    A measurement of the top quark mass in t$\\bar{t}$ → l + jets candidate events, obtained from p$\\bar{p}$ collisions at √s = 1.96 TeV at the Fermilab Tevatron using the CDF II detector, is presented. The measurement approach is that of a matrix element method. For each candidate event, a two dimensional likelihood is calculated in the top pole mass and a constant scale factor, 'JES', where JES multiplies the input particle jet momenta and is designed to account for the systematic uncertainty of the jet momentum reconstruction. As with all matrix element techniques, the method involves an integration using the Standard Model matrix element for t$\\bar{t}$ production and decay. However, the technique presented is unique in that the matrix element is modified to compensate for kinematic assumptions which are made to reduce computation time. Background events are dealt with through use of an event observable which distinguishes signal from background, as well as through a cut on the value of an event's maximum likelihood. Results are based on a 955 pb-1 data sample, using events with a high-pT lepton and exactly four high-energy jets, at least one of which is tagged as coming from a b quark; 149 events pass all the selection requirements. They find Mmeas = 169.8 ± 2.3(stat.) ± 1.4(syst.) GeV/c2.

  10. Measurement of the top quark mass with the matrix element method in the semileptonic decay channel at D0

    Energy Technology Data Exchange (ETDEWEB)

    Haefner, Petra

    2008-07-31

    The top quark plays a special role in the Standard Model of Particle Physics. With its enormous mass of about 170 GeV it is as heavy as a gold atom and is the only quark with a mass near the electroweak scale. Together with the W boson mass, the top quark mass allows indirect constraints on the mass of the hypothetical Higgs boson, which might hold the clue to the origin of mass. Top pair production with a semileptonic decay t anti t{yields}W{sup {+-}}W{sup -+}b anti b{yields}q anti ql{nu}b anti b is the ''golden channel'' for mass measurements, due to a large branching fraction and a relatively low background contamination compared to other decay channels. Top mass measurements based on this decay, performed with the matrix element method, have always been among the single best measurements in the world. In 2007, the top mass world average broke the 1% level of precision. Its measurement is no longer dominated by statistical but instead by systematic uncertainties. The reduction of systematic uncertainties has therefore become a key issue for further progress. This thesis introduces two new developments in the treatment of b jets. The first improvement is an optimization in the way b identification information is used. It leads to an enhanced separation between signal and background processes and reduces the statistical uncertainty by about 16%. The second improvement determines differences in the detector response and thus the energy scales of light jets and b jets. Thereby, it addresses the major source of systematic uncertainty in the latest top mass measurements. The method was validated on Monte Carlo events at the generator level, calibrated with fully simulated events, including detector simulation, and applied to D0 Run II data corresponding to 1 fb{sup -1} of integrated luminosity. Possible sources of systematic uncertainties were studied. The top mass is measured to be: m{sub t}=(169.2{+-}3.5(stat.){+-}1.0(syst.)) GeV. The

  11. Simplified boson realization of the SOq(3) subalgebra of Uq(3) and matrix elements of SO(3) quadrupole operators

    International Nuclear Information System (INIS)

    Bonatsos, D.; Lo Liduce, N.; Raychev, P.; Roussev, R.; Terziev, P.

    1996-01-01

    Quantum algebras (also called quantum groups) are nonlinear generalization of the usual Lie algebras, to which the reduce in the limiting case when the deformed parameters are set equal to unity. From mathematical point of view they have the structure of Holf algebras. The interest for applications of quantum algebras in physics was triggered in 1989 by the introduction of the q-deformed harmonic oscillator. In this connection the quantum algebra su q (2) has been used for description of superdeformed bands of even-even nuclei and rotational nuclear and molecular spectra. The construction of chains of subalgebras of a given q-algebra is a non trivial problem, since the existence of a chain of subalgebras of the corresponding Lie algebra does not guarantee the existence of the q-analogue of this chain. In particular, the so q (3) subalgebra of u q (3) has attracted much attention, since its classical analogue is a basic ingredient of several nuclear models, as the Elliot model and the su(3) limit of the Interacting Boson Model (IBM), the Fermion Dynamical Symmetry Model (FDSM), the Interacting Vector Boson Model (IVBM), the nuclear vibron model for clustering, as well as of the su(3) limit of the vibron model for molecules. In the present report we compute the reduced matrix elements of a special second-rank tensor operator (quadrupole operator) in the so q (3) subgroup of u q (3) basis (for the most symmetric u q (3)-representations) and investigate some of their properties. Also we construct a simplified boson realization of the so q (3) subalgebra of u q (3) and the corresponding so q (3) basis states. It should be noted that the obtained results are valid only for real values of the deformation parameter q. On the other hand the comparison of the experimental data with the predictions of a number of physical models, based on the q deformed su q (2) algebra, shows that one can achieve a good agreement between theory and experiment only if q is a pure phase (q

  12. Measurement of the top quark mass with the matrix element method in the semileptonic decay channel at D0

    International Nuclear Information System (INIS)

    Haefner, Petra

    2008-01-01

    The top quark plays a special role in the Standard Model of Particle Physics. With its enormous mass of about 170 GeV it is as heavy as a gold atom and is the only quark with a mass near the electroweak scale. Together with the W boson mass, the top quark mass allows indirect constraints on the mass of the hypothetical Higgs boson, which might hold the clue to the origin of mass. Top pair production with a semileptonic decay t anti t→W ± W -+ b anti b→q anti qlνb anti b is the ''golden channel'' for mass measurements, due to a large branching fraction and a relatively low background contamination compared to other decay channels. Top mass measurements based on this decay, performed with the matrix element method, have always been among the single best measurements in the world. In 2007, the top mass world average broke the 1% level of precision. Its measurement is no longer dominated by statistical but instead by systematic uncertainties. The reduction of systematic uncertainties has therefore become a key issue for further progress. This thesis introduces two new developments in the treatment of b jets. The first improvement is an optimization in the way b identification information is used. It leads to an enhanced separation between signal and background processes and reduces the statistical uncertainty by about 16%. The second improvement determines differences in the detector response and thus the energy scales of light jets and b jets. Thereby, it addresses the major source of systematic uncertainty in the latest top mass measurements. The method was validated on Monte Carlo events at the generator level, calibrated with fully simulated events, including detector simulation, and applied to D0 Run II data corresponding to 1 fb -1 of integrated luminosity. Possible sources of systematic uncertainties were studied. The top mass is measured to be: m t =(169.2±3.5(stat.)±1.0(syst.)) GeV. The simultaneous measurement of a scaling factor for the jet energy

  13. Detection and characterization of silver nanoparticles in chicken meat by asymmetric flow field flow fractionation with detection by conventional or single particle ICP-MS

    DEFF Research Database (Denmark)

    Löschner, Katrin; Navratilova, Jana; Købler, Carsten

    2013-01-01

    A method of analysis of silver nanoparticles (AgNPs) in chicken meat was developed. The homogenized chicken meat sample, which was spiked with AgNPs, was subjected to enzymolysis by Proteinase K for 40 min at 37 °C. Transmission electron microscopy and inductively coupled plasma mass spectrometry...... (ICP-MS) in single particle mode were used to characterize the number-based size distribution of AgNPs in the meat digestate. Because similar size distributions were found in the meat digestate and in the aqueous suspension of AgNPs used for spiking the meat, it was shown that no detectable dissolution...... of the AgNPs took place during the sample preparation stage. The digestate was injected into the asymmetric flow field flow fractionation (AF(4)) -ICP-MS system, which enabled fractionation of nanoparticles from the remaining meat matrix, and resulted in one large peak in the fractograms as well as two...

  14. Continuous Modeling Technique of Fiber Pullout from a Cement Matrix with Different Interface Mechanical Properties Using Finite Element Program

    OpenAIRE

    Friedrich, Leandro Ferreira; Wang, Chong

    2016-01-01

    Abstract Fiber-matrix interface performance has a great influence on the mechanical properties of fiber reinforced composite. This influence is mainly presented during fiber pullout from the matrix. As fiber pullout process consists of fiber debonding stage and pullout stage which involve complex contact problem, numerical modeling is a best way to investigate the interface influence. Although many numerical research works have been conducted, practical and effective technique suitable for co...

  15. Use of stirred tanks for studying matrix effects caused by inorganic acids, easily ionized elements and organic solvents in inductively coupled plasma atomic emission spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Paredes, Eduardo [Departamento de Quimica Analitica, Nutricion y Bromatologia, University of Alicante, 03080 Alicante (Spain); Maestre, Salvador E. [Departamento de Quimica Analitica, Nutricion y Bromatologia, University of Alicante, 03080 Alicante (Spain); Todoli, Jose L. [Departamento de Quimica Analitica, Nutricion y Bromatologia, University of Alicante, 03080 Alicante (Spain)]. E-mail: jose.todoli@ua.es

    2006-03-15

    A stirred tank was used for the first time to elucidate the mechanism responsible for inductively coupled plasma atomic emission spectroscopy (ICP-AES) matrix effects caused by inorganic, acids and easily ionized elements (EIEs), as well as organic, ethanol and acetic acid, compounds. In order to gradually increase the matrix concentration, a matrix solution was introduced inside a stirred container (tank) initially filled with an aqueous multielement standard. PolyTetraFluoroEthylene (PTFE) tubing was used to deliver the resulting solution to the liquid sample introduction system. Matrix concentration ranged from 0 to 2 mol l{sup -1} in the case of inorganic acids (i.e., nitric, sulfuric, hydrochloric and a mixture of them), from 0 to about 2500 mg l{sup -1} for EIEs (i.e., sodium, calcium and mixtures of both) and from 0% to 15%, w/w for organic compounds. Up to 40-50 different solutions were prepared and measured in a period of time shorter than 6-7 min. This investigation was carried out in terms of emission intensity and tertiary aerosols characteristics. The experimental setup used in the present work allowed to thoroughly study the effect of matrix concentration on analytical signal. Generally speaking, the experiments concerning tertiary aerosol characterization revealed that, in the case of inorganic acids and EIEs, the mechanism responsible for changes in aerosol characteristics was the droplet fission. In contrast, for organic matrices it was found that the interference was caused by a change in both aerosol transport and plasma thermal characteristics. The extent of the interferences caused by organic as well as inorganic compounds was compared for a set of 14 emission lines through a wide range of matrix concentrations. With a stirred tank, it is possible to choose an efficient internal standard for any given matrix composition. The time required to complete this procedure was shorter than 7 min.

  16. Use of stirred tanks for studying matrix effects caused by inorganic acids, easily ionized elements and organic solvents in inductively coupled plasma atomic emission spectrometry

    International Nuclear Information System (INIS)

    Paredes, Eduardo; Maestre, Salvador E.; Todoli, Jose L.

    2006-01-01

    A stirred tank was used for the first time to elucidate the mechanism responsible for inductively coupled plasma atomic emission spectroscopy (ICP-AES) matrix effects caused by inorganic, acids and easily ionized elements (EIEs), as well as organic, ethanol and acetic acid, compounds. In order to gradually increase the matrix concentration, a matrix solution was introduced inside a stirred container (tank) initially filled with an aqueous multielement standard. PolyTetraFluoroEthylene (PTFE) tubing was used to deliver the resulting solution to the liquid sample introduction system. Matrix concentration ranged from 0 to 2 mol l -1 in the case of inorganic acids (i.e., nitric, sulfuric, hydrochloric and a mixture of them), from 0 to about 2500 mg l -1 for EIEs (i.e., sodium, calcium and mixtures of both) and from 0% to 15%, w/w for organic compounds. Up to 40-50 different solutions were prepared and measured in a period of time shorter than 6-7 min. This investigation was carried out in terms of emission intensity and tertiary aerosols characteristics. The experimental setup used in the present work allowed to thoroughly study the effect of matrix concentration on analytical signal. Generally speaking, the experiments concerning tertiary aerosol characterization revealed that, in the case of inorganic acids and EIEs, the mechanism responsible for changes in aerosol characteristics was the droplet fission. In contrast, for organic matrices it was found that the interference was caused by a change in both aerosol transport and plasma thermal characteristics. The extent of the interferences caused by organic as well as inorganic compounds was compared for a set of 14 emission lines through a wide range of matrix concentrations. With a stirred tank, it is possible to choose an efficient internal standard for any given matrix composition. The time required to complete this procedure was shorter than 7 min

  17. Measurement of the electroweak top quark production cross section and the CKM matrix element Vtb with the D0 experiment

    International Nuclear Information System (INIS)

    Kirsch, Matthias

    2009-01-01

    At particle accelerators the Standard Model has been tested and will be tested further to a great precision. The data analyzed in this thesis have been collected at the world's highest energetic-collider, the Tevatron, located at the Fermi National Accelerator Laboratory (FNAL) in the vicinity of Chicago, IL, USA. There, protons and antiprotons are collided at a center-of-mass energy of √s = 1.96 TeV. The discovery of the top quark was one of the remarkable results not only for the CDF and D0 experiments at the Tevatron collider, but also for the Standard Model, which had predicted the existence of the top quark because of symmetry arguments long before already. Still, the Tevatron is the only facility able to produce top quarks. The predominant production mechanism of top quarks is the production of a top-antitop quark pair via the strong force. However, the Standard Model also allows the production of single top quarks via the electroweak interaction. This process features the unique opportunity to measure the |V tb | matrix element of the Cabbibo-Kobayashi-Maskawa (CKM) matrix directly, without assuming unitarity of the matrix or assuming that the number of quark generations is three. Hence, the measurement of the cross section of electroweak top quark production is more than the technical challenge to extract a physics process that only occurs one out of ten billion collisions. It is also an important test of the V-A structure of the electroweak interaction and a potential window to physics beyond the Standard Model in the case where the measurement of |V tb | would result in a value significantly different from 1, the value predicted by the Standard Model. At the Tevatron two production processes contribute significantly to the production of single top quarks: the production via the t-channel, also called W-gluon fusion, and the production via the s-channel, known as well as W* process. This analysis searches for the combined s+t channel production cross

  18. Measurement of the electroweak top quark production cross section and the CKM matrix element Vtb with the D0 experiment

    Energy Technology Data Exchange (ETDEWEB)

    Kirsch, Matthias [RWTH Aachen Univ. (Germany)

    2009-06-29

    At particle accelerators the Standard Model has been tested and will be tested further to a great precision. The data analyzed in this thesis have been collected at the world's highest energetic-collider, the Tevatron, located at the Fermi National Accelerator Laboratory (FNAL) in the vicinity of Chicago, IL, USA. There, protons and antiprotons are collided at a center-of-mass energy of {radical}s = 1.96 TeV. The discovery of the top quark was one of the remarkable results not only for the CDF and D0 experiments at the Tevatron collider, but also for the Standard Model, which had predicted the existence of the top quark because of symmetry arguments long before already. Still, the Tevatron is the only facility able to produce top quarks. The predominant production mechanism of top quarks is the production of a top-antitop quark pair via the strong force. However, the Standard Model also allows the production of single top quarks via the electroweak interaction. This process features the unique opportunity to measure the |Vtb| matrix element of the Cabbibo-Kobayashi-Maskawa (CKM) matrix directly, without assuming unitarity of the matrix or assuming that the number of quark generations is three. Hence, the measurement of the cross section of electroweak top quark production is more than the technical challenge to extract a physics process that only occurs one out of ten billion collisions. It is also an important test of the V-A structure of the electroweak interaction and a potential window to physics beyond the Standard Model in the case where the measurement of |V{sub tb}| would result in a value significantly different from 1, the value predicted by the Standard Model. At the Tevatron two production processes contribute significantly to the production of single top quarks: the production via the t-channel, also called W-gluon fusion, and the production via the s-channel, known as well as W* process. This analysis searches for the combined s

  19. Chemical composition of ambient aerosol, ice residues and cloud droplet residues in mixed-phase clouds: single particle analysis during the Cloud and Aerosol Characterization Experiment (CLACE 6

    Directory of Open Access Journals (Sweden)

    M. Kamphus

    2010-08-01

    Full Text Available Two different single particle mass spectrometers were operated in parallel at the Swiss High Alpine Research Station Jungfraujoch (JFJ, 3580 m a.s.l. during the Cloud and Aerosol Characterization Experiment (CLACE 6 in February and March 2007. During mixed phase cloud events ice crystals from 5–20 μm were separated from larger ice aggregates, non-activated, interstitial aerosol particles and supercooled droplets using an Ice-Counterflow Virtual Impactor (Ice-CVI. During one cloud period supercooled droplets were additionally sampled and analyzed by changing the Ice-CVI setup. The small ice particles and droplets were evaporated by injection into dry air inside the Ice-CVI. The resulting ice and droplet residues (IR and DR were analyzed for size and composition by the two single particle mass spectrometers: a custom-built Single Particle Laser-Ablation Time-of-Flight Mass Spectrometer (SPLAT and a commercial Aerosol Time-of-Flight Mass Spectrometer (ATOFMS, TSI Model 3800. During CLACE 6 the SPLAT instrument characterized 355 individual IR that produced a mass spectrum for at least one polarity and the ATOFMS measured 152 IR. The mass spectra were binned in classes, based on the combination of dominating substances, such as mineral dust, sulfate, potassium and elemental carbon or organic material. The derived chemical information from the ice residues is compared to the JFJ ambient aerosol that was sampled while the measurement station was out of clouds (several thousand particles analyzed by SPLAT and ATOFMS and to the composition of the residues of supercooled cloud droplets (SPLAT: 162 cloud droplet residues analyzed, ATOFMS: 1094. The measurements showed that mineral dust was strongly enhanced in the ice particle residues. Close to all of the SPLAT spectra from ice residues did contain signatures from mineral compounds, albeit connected with varying amounts of soluble compounds. Similarly, close to all of the ATOFMS IR spectra show a

  20. Single particle characterization of black carbon aerosols at a tropospheric alpine site in Switzerland

    Science.gov (United States)

    Liu, D.; Flynn, M.; Gysel, M.; Targino, A.; Crawford, I.; Bower, K.; Choularton, T.; Jurányi, Z.; Steinbacher, M.; Hüglin, C.; Curtius, J.; Kampus, M.; Petzold, A.; Weingartner, E.; Baltensperger, U.; Coe, H.

    2010-08-01

    The refractory black carbon (rBC) mass, size distribution (190-720 nm) and mixing state in sub-micron aerosols were characterized from late February to March 2007 using a single particle incandescence method at the high alpine research station Jungfraujoch (JFJ), Switzerland (46.33° N, 7.59° E, 3580 m a.s.l.). JFJ is a ground based location, which is at times exposed to continental free tropospheric air. A median mass absorption coefficient (MAC) of 10.2±3.2 m2 g-1 at λ=630 nm was derived by comparing single particle incandescence measurements of black carbon mass with continuous measurements of absorption coefficient. This value is comparable with other estimates at this location. The aerosols measured at the site were mostly well mixed and aged during transportation via the free troposphere. Pollutant sources were traced by air mass back trajectories, trace gases concentrations and the mass loading of rBC. In southeasterly wind directions, mixed or convective weather types provided the potential to vent polluted boundary layer air from the southern Alpine area and industrial northern Italy, delivering enhanced rBC mass loading and CN concentrations to the JFJ. The aerosol loadings at this site were also significantly influenced by precipitation, which led to the removal of rBC from the atmosphere. Precipitation events were shown to remove about 65% of the rBC mass from the free tropospheric background reducing the mean loading from 13±5 ng m-3 to 6±2 ng m-3(corrected to standard temperature and pressure). Overall, 40±15% of the observed rBC particles within the detectable size range were mixed with large amounts of non-refractory materials present as a thick coating. The growth of particle size into the accumulation mode was positively linked with the degree of rBC mixing, suggesting the important role of condensable materials in increasing particle size and leading to enhanced internal mixing of these materials with rBC. It is the first time that BC mass

  1. Decay modes of high-lying single-particle states in [sup 209]Pb

    Energy Technology Data Exchange (ETDEWEB)

    Beaumel, D.; Fortier, S.; Gales, S.; Guillot, J.; Langevin-Joliot, H.; Laurent, H.; Maison, J.M.; Vernotte, J.; Bordewijk, J.A.; Brandenburg, S.; Krasznahorkay, A.; Crawley, G.M.; Massolo, C.P.; Renteria, M. (Institut de Physique Nucleaire, Institut National de Physique Nucleaire et de Physique des Particules Centre National de la Recherche Scientifique, 91406 Orsay Cedex (France) Kernfysisch Versneller Instituut, 9747AA Groningen (Netherlands) National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824 (United States) Departamento de Fisica, Fac. Cs. Exactas, Universidad Nacional de La Plata, CC No. 67, 1900 La Plata (Argentina))

    1994-05-01

    The neutron decay of high-lying single-particle states in [sup 209]Pb excited by means of the ([alpha],[sup 3]He) 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 present data involving angular correlation measurements and the determination of branching ratios to low lying levels in [sup 208]Pb. The structure located between 8.5 and 12 MeV excitation energy in [sup 209]Pb displays large departures from a pure statistical decay with significant direct feeding of the low-lying collective states (3[sup [minus

  2. Decay modes of high-lying single-particle states in 209Pb

    International Nuclear Information System (INIS)

    Beaumel, D.; Fortier, S.; Gales, S.; Guillot, J.; Crawley, G.M.; Massolo, C.P.; Renteria, M.

    1993-01-01

    The neutron decay of high-lying single-particle states in 209 Pb excited by means of the (α, 3 He) reaction has been investigated at 122 MeV incident energy using the multidetector array EDEN. The high spin values of these states, inferred from previous inclusive experiments, are confirmed by the present data involving angular correlation measurements and the determination of branching ratios to low lying levels in 208 Pb. The structure located between 8.5 and 12 MeV excitation energy in 209 Pb displays large departures from a pure statistical decay with significant direct feeding of the low-lying collective states (3 - ,5 - ) of 208 Pb. At higher excitation energy up to 20 MeV, the measured neutron decay is in agreement with the predictions of the statistical model. (authors). 24 refs., 16 figs., 2 tabs

  3. A clustering approach to multireference alignment of single-particle projections in electron microscopy.

    Science.gov (United States)

    Sorzano, C O S; Bilbao-Castro, J R; Shkolnisky, Y; Alcorlo, M; Melero, R; Caffarena-Fernández, G; Li, M; Xu, G; Marabini, R; Carazo, J M

    2010-08-01

    Two-dimensional analysis of projections of single-particles acquired by an electron microscope is a useful tool to help identifying the different kinds of projections present in a dataset and their different projection directions. Such analysis is also useful to distinguish between different kinds of particles or different particle conformations. In this paper we introduce a new algorithm for performing two-dimensional multireference alignment and classification that is based on a Hierarchical clustering approach using correntropy (instead of the more traditional correlation) and a modified criterion for the definition of the clusters specially suited for cases in which the Signal-to-Noise Ratio of the differences between classes is low. We show that our algorithm offers an improved sensitivity over current methods in use for distinguishing between different projection orientations and different particle conformations. This algorithm is publicly available through the software package Xmipp. Copyright 2010 Elsevier Inc. All rights reserved.

  4. Single-particle structure determination by correlations of snapshot X-ray diffraction patterns

    Science.gov (United States)

    Starodub, D.; Aquila, A.; Bajt, S.; Barthelmess, M.; Barty, A.; Bostedt, C.; Bozek, J. D.; Coppola, N.; Doak, R. B.; Epp, S. W.; Erk, B.; Foucar, L.; Gumprecht, L.; Hampton, C. Y.; Hartmann, A.; Hartmann, R.; Holl, P.; Kassemeyer, S.; Kimmel, N.; Laksmono, H.; Liang, M.; Loh, N. D.; Lomb, L.; Martin, A. V.; Nass, K.; Reich, C.; Rolles, D.; Rudek, B.; Rudenko, A.; Schulz, J.; Shoeman, R. L.; Sierra, R. G.; Soltau, H.; Steinbrener, J.; Stellato, F.; Stern, S.; Weidenspointner, G.; Frank, M.; Ullrich, J.; Strüder, L.; Schlichting, I.; Chapman, H. N.; Spence, J. C. H.; Bogan, M. J.

    2012-12-01

    Diffractive imaging with free-electron lasers allows structure determination from ensembles of weakly scattering identical nanoparticles. The ultra-short, ultra-bright X-ray pulses provide snapshots of the randomly oriented particles frozen in time, and terminate before the onset of structural damage. As signal strength diminishes for small particles, the synthesis of a three-dimensional diffraction volume requires simultaneous involvement of all data. Here we report the first application of a three-dimensional spatial frequency correlation analysis to carry out this synthesis from noisy single-particle femtosecond X-ray diffraction patterns of nearly identical samples in random and unknown orientations, collected at the Linac Coherent Light Source. Our demonstration uses unsupported test particles created via aerosol self-assembly, and composed of two polystyrene spheres of equal diameter. The correlation analysis avoids the need for orientation determination entirely. This method may be applied to the structural determination of biological macromolecules in solution.

  5. Single-particle And Collective Effects Of Cubic Nonlinearity In The Beam Dynamics Of Proton Synchrotrons

    CERN Document Server

    Tran Hy, J

    1998-01-01

    This thesis describes some new studies of the effects of cubic nonlinearities arising from image-charge forces and octupole magnets on the transverse beam dynamics of proton synchrotrons and storage rings, and also a study of the damping of coherent oscillations using a feed-back damper. In the latter case, various corrective algorithms were modeled using linear one-turn maps. Kicks of fixed amplitude but appropriate sign were shown to provide linear damping and no coherent tune shift, though the rate predicted analytically was somewhat higher than that observed in simulations. This algorithm gave much faster damping (for equal power) than conventional proportional kicks, which damp exponentially. Two single-particle effects of the image-change force were investigated: distortion of the momentum dispersion function and amplitude dependence of the betatron tunes (resulting in tune spread). The former is calculated using transfer maps and the method of undetermined coefficients, the latter by solving the cubic ...

  6. Response of microchannel plates in ionization mode to single particles and electromagnetic showers

    Science.gov (United States)

    Barnyakov, A. Yu.; Barnyakov, M. Yu.; Brianza, L.; Cavallari, F.; Cipriani, M.; Ciriolo, V.; del Re, D.; Gelli, S.; Ghezzi, A.; Gotti, C.; Govoni, P.; Katcin, A. A.; Malberti, M.; Martelli, A.; Marzocchi, B.; Meridiani, P.; Organtini, G.; Paramatti, R.; Pigazzini, S.; Preiato, F.; Prisekin, V. G.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Tabarelli de Fatis, T.

    2018-01-01

    Hundreds of concurrent collisions per bunch crossing are expected at future hadron colliders. Precision timing calorimetry has been advocated as a way to mitigate the pileup effects and, thanks to their excellent time resolution, microchannel plates (MCPs) are good candidate detectors for this goal. We report on the response of MCPs, used as secondary emission detectors, to single relativistic particles and to electromagnetic showers. Several prototypes, with different geometries and characteristics, were exposed to particle beams at the INFN-LNF Beam Test Facility and at CERN. Their time resolution and efficiency are measured for single particles and as a function of the multiplicity of particles. Efficiencies between 50% and 90% to single relativistic particles are reached, and up to 100% in presence of a large number of particles. Time resolutions between 20 ps and 30 ps are obtained.

  7. 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

  8. Detecting the shape of anisotropic gold nanoparticles in dispersion with single particle extinction and scattering.

    Science.gov (United States)

    Potenza, M A C; Krpetić, Ž; Sanvito, T; Cai, Q; Monopoli, M; de Araújo, J M; Cella, C; Boselli, L; Castagnola, V; Milani, P; Dawson, K A

    2017-02-23

    The shape and size of nanoparticles are important parameters affecting their biodistribution, bioactivity, and toxicity. The high-throughput characterisation of the nanoparticle shape in dispersion is a fundamental prerequisite for realistic in vitro and in vivo evaluation, however, with routinely available bench-top optical characterisation techniques, it remains a challenging task. Herein, we demonstrate the efficacy of a single particle extinction and scattering (SPES) technique for the in situ detection of the shape of nanoparticles in dispersion, applied to a small library of anisotropic gold particles, with a potential development for in-line detection. The use of SPES paves the way to the routine quantitative analysis of nanoparticles dispersed in biologically relevant fluids, which is of importance for the nanosafety assessment and any in vitro and in vivo administration of nanomaterials.

  9. EMHP: an accurate automated hole masking algorithm for single-particle cryo-EM image processing.

    Science.gov (United States)

    Berndsen, Zachary; Bowman, Charles; Jang, Haerin; Ward, Andrew B

    2017-12-01

    The Electron Microscopy Hole Punch (EMHP) is a streamlined suite of tools for quick assessment, sorting and hole masking of electron micrographs. With recent advances in single-particle electron cryo-microscopy (cryo-EM) data processing allowing for the rapid determination of protein structures using a smaller computational footprint, we saw the need for a fast and simple tool for data pre-processing that could run independent of existing high-performance computing (HPC) infrastructures. EMHP provides a data preprocessing platform in a small package that requires minimal python dependencies to function. https://www.bitbucket.org/chazbot/emhp Apache 2.0 License. bowman@scripps.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

  10. An efficient, movable single-particle detector for use in cryogenic ultra-high vacuum environments.

    Science.gov (United States)

    Spruck, Kaija; Becker, Arno; Fellenberger, Florian; Grieser, Manfred; von Hahn, Robert; Klinkhamer, Vincent; Novotný, Oldřich; Schippers, Stefan; Vogel, Stephen; Wolf, Andreas; Krantz, Claude

    2015-02-01

    A compact, highly efficient single-particle counting detector for ions of keV/u kinetic energy, movable by a long-stroke mechanical translation stage, has been developed at the Max-Planck-Institut für Kernphysik (Max Planck Institute for Nuclear Physics, MPIK). Both, detector and translation mechanics, can operate at ambient temperatures down to ∼10 K and consist fully of ultra-high vacuum compatible, high-temperature bakeable, and non-magnetic materials. The set-up is designed to meet the technical demands of MPIK's Cryogenic Storage Ring. We present a series of functional tests that demonstrate full suitability for this application and characterise the set-up with regard to its particle detection efficiency.

  11. The on-line analysis of aerosol-delivered pharmaceuticals via single particle aerosol mass spectrometry.

    Science.gov (United States)

    Morrical, Bradley D; Balaxi, Maria; Fergenson, David

    2015-07-15

    The use of single particle aerosol mass spectrometry (SPAMS) was evaluated for the analysis of inhaled pharmaceuticals to determine the mass distribution of the individual active pharmaceutical ingredients (API) in both single ingredient and combination drug products. SPAMS is an analytical technique where the individual aerodynamic diameters and chemical compositions of many aerosol particles are determined in real-time. The analysis was performed using a Livermore Instruments SPAMS 3.0, which allowed the efficient analysis of aerosol particles with broad size distributions and can acquire data even under a very large particle load. Data similar to what would normally require roughly three days of experimentation and analysis was collected in a five minute period and analyzed automatically. The results were computed to be comparable to those returned by a typical Next Generation Impactor (NGI) particle size distribution experiment. Copyright © 2015. Published by Elsevier B.V.

  12. Sampling and single particle analysis for the chemical characterisation of fine atmospheric particulates: A review.

    Science.gov (United States)

    Elmes, Michele; Gasparon, Massimo

    2017-11-01

    To better understand the potential environmental and human health impacts of fine airborne particulate matter (APM), detailed physical and chemical characterisation is required. The only means to accurately distinguish between the multiple compositions in APM is by single particle analysis. A variety of methods and instruments are available, which range from filter-based sample collection for off-line laboratory analysis to on-line instruments that detect the airborne particles and generate size distribution and chemical data in real time. There are many reasons for sampling particulates in the ambient atmosphere and as a consequence, different measurement strategies and sampling devices are used depending on the scientific objectives and subsequent analytical techniques. This review is designed as a guide to some of the techniques available for the sampling and subsequent chemical analysis of individual inorganic particles. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Single particle momentum and angular distributions in hadron-hadron collisions at ultrahigh energies

    Science.gov (United States)

    Chou, T. T.; Chen, N. Y.

    1985-01-01

    The forward-backward charged multiplicity distribution (P n sub F, n sub B) of events in the 540 GeV antiproton-proton collider has been extensively studied by the UA5 Collaboration. It was pointed out that the distribution with respect to n = n sub F + n sub B satisfies approximate KNO scaling and that with respect to Z = n sub F - n sub B is binomial. The geometrical model of hadron-hadron collision interprets the large multiplicity fluctuation as due to the widely different nature of collisions at different impact parameters b. For a single impact parameter b, the collision in the geometrical model should exhibit stochastic behavior. This separation of the stochastic and nonstochastic (KNO) aspects of multiparticle production processes gives conceptually a lucid and attractive picture of such collisions, leading to the concept of partition temperature T sub p and the single particle momentum spectrum to be discussed in detail.

  14. 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.

  15. 3D structure determination of protein using TEM single particle analysis.

    Science.gov (United States)

    Sato, Chikara; Mio, Kazuhiro; Kawata, Masaaki; Ogura, Toshihiko

    2014-11-01

    Proteins play important roles in cell functions such as enzymes, cell trafficking, neurotransmission, muscle contraction and hormone secretion. However, some proteins are very difficult to be crystallized and their structures are undetermined. Several techniques have been developed to elucidate the structure of macromolecules; X-ray or electron crystallography, nuclear magnetic resonance spectroscopy, and high-resolution electron microscopy. Among them, electron microscopy based single particle reconstruction (SPA) technique is a computer-aided structure determination method. This method reconstructs the 3D structure from projection images of dispersed protein. A large number of two-dimensional particle images are picked up from EM films, aligned and classified to generate 2D averages, and used to reconstruct the 3D structure by assigning the Euler angle of each 2D average. Due to the necessity of elaborate collaboration between the classical biology and the innovative information technology including parallel computing, scientists needed to break unseen barriers to get a start of this analysis. However, recent progresses in electron microscopes, mathematical algorithms, and computational abilities greatly reduced the height of barriers and expanded targets that are considered to be primarily addressable using single particle analysis. Membrane proteins are one of these targets to which the single particle analysis is successfully applied for the understanding of their 3D structures. For this purpose, we have developed various SPA methods [1-5] and applied them to different proteins [6-8].Here, we introduce reconstructed proteins, and discuss the availability of this technique. The intramembrane-cleaving proteases (I-CLiPs) that sever the transmembrane domains of their substrates have been identified in a range of organisms and play a variety of roles in biological conditions. I-CLiPs have been classified into three groups: serine-, aspartyl- and metalloprotease

  16. Detection and characterization of chemical aerosol using laser-trapping single-particle Raman spectroscopy.

    Science.gov (United States)

    Kalume, Aimable; Beresnev, Leonid A; Santarpia, Joshua; Pan, Yong-Le

    2017-08-10

    Detection and characterization of the presence of chemical agent aerosols in various complex atmospheric environments is an essential defense mission. Raman spectroscopy has the ability to identify chemical molecules, but there are limited numbers of photons detectable from single airborne aerosol particles as they are flowing through a detection system. In this paper, we report on a single-particle Raman spectrometer system that can measure strong spontaneous, stimulated, and resonance Raman spectral peaks from a single laser-trapped chemical aerosol particle, such as a droplet of the VX nerve agent chemical simulant diethyl phthalate. Using this system, time-resolved Raman spectra and elastic scattered intensities were recorded to monitor the chemical properties and size variation of the trapped particle. Such a system supplies a new approach for the detection and characterization of single airborne chemical aerosol particles.

  17. Proton resonance elastic scattering of $^{30}$Mg for single particle structure of $^{31}$Mg

    CERN Multimedia

    The single particle structure of $^{31}$Mg, which is located in the so-called “island of inversion”, will be studied through measuring Isobaric Analog Resonances (IARs) of bound states of $^{31}$Mg. They are located in the high excitation energy of $^{31}$Al. We are going to determine the spectroscopic factors and angular momenta of the parent states by measuring the excitation function of the proton resonance elastic scattering around 0 degrees in the laboratory frame with around 3 MeV/nucleon $^{30}$Mg beam. The present study will reveal the shell evolution around $^{32}$Mg. In addition, the spectroscopic factor of the (7/2)$^{−}$ state which was not yet determined experimentally, may allow one to study the shape coexistence in this nucleus.

  18. Singlet-triplet splittings from the virial theorem and single-particle excitation energies

    Science.gov (United States)

    Becke, Axel D.

    2018-01-01

    The zeroth-order (uncorrelated) singlet-triplet energy difference in single-particle excited configurations is 2Kif, where Kif is the Coulomb self-energy of the product of the transition orbitals. Here we present a non-empirical, virial-theorem argument that the correlated singlet-triplet energy difference should be half of this, namely, Kif. This incredibly simple result gives vertical HOMO-LUMO excitation energies in small-molecule benchmarks as good as the popular TD-B3LYP time-dependent approach to excited states. For linear acenes and nonlinear polycyclic aromatic hydrocarbons, the performance is significantly better than TD-B3LYP. In addition to the virial theorem, the derivation borrows intuitive pair-density concepts from density-functional theory.

  19. Estimating the anomalous diffusion exponent for single particle tracking data with measurement errors - An alternative approach.

    Science.gov (United States)

    Burnecki, Krzysztof; Kepten, Eldad; Garini, Yuval; Sikora, Grzegorz; Weron, Aleksander

    2015-06-11

    Accurately characterizing the anomalous diffusion of a tracer particle has become a central issue in biophysics. However, measurement errors raise difficulty in the characterization of single trajectories, which is usually performed through the time-averaged mean square displacement (TAMSD). In this paper, we study a fractionally integrated moving average (FIMA) process as an appropriate model for anomalous diffusion data with measurement errors. We compare FIMA and traditional TAMSD estimators for the anomalous diffusion exponent. The ability of the FIMA framework to characterize dynamics in a wide range of anomalous exponents and noise levels through the simulation of a toy model (fractional Brownian motion disturbed by Gaussian white noise) is discussed. Comparison to the TAMSD technique, shows that FIMA estimation is superior in many scenarios. This is expected to enable new measurement regimes for single particle tracking (SPT) experiments even in the presence of high measurement errors.

  20. Logarithmic Decay in Single-Particle Relaxation of Hydrated Lysozyme Powder

    Science.gov (United States)

    Lagi, Marco; Baglioni, Piero; Chen, Sow-Hsin

    2009-09-01

    We present the self-dynamics of protein amino acids of hydrated lysozyme powder around the physiological temperature by means of molecular dynamics simulations. The self-intermediate scattering functions of the amino acid residue center of mass display a logarithmic decay over 3 decades of time, from 2 ps to 2 ns, followed by an exponential α relaxation. This kind of slow dynamics resembles the relaxation scenario within the β-relaxation time range predicted by mode coupling theory in the vicinity of higher-order singularities. These results suggest a strong analogy between the single-particle dynamics of the protein and the dynamics of colloidal, polymeric, and molecular glass-forming liquids.

  1. 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

  2. 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...

  3. Single particle analysis with a 360/sup 0/ light scattering photometer

    Energy Technology Data Exchange (ETDEWEB)

    Bartholdi, M.F.

    1979-06-01

    Light scattering by single spherical homogeneous particles in the diameter range 1 to 20 ..mu..m 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/sup 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/sup 0/ to 177.5/sup 0/ at phi = 0/sup 0/ and 180/sup 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/sup 0/ in scattering angle on 6/sup 0/ centers around 360/sup 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.

  4. DEMONIC programming: a computational language for single-particle equilibrium thermodynamics, and its formal semantics.

    Directory of Open Access Journals (Sweden)

    Samson Abramsky

    2015-11-01

    Full Text Available Maxwell's Demon, 'a being whose faculties are so sharpened that he can follow every molecule in its course', has been the centre of much debate about its abilities to violate the second law of thermodynamics. Landauer's hypothesis, that the Demon must erase its memory and incur a thermodynamic cost, has become the standard response to Maxwell's dilemma, and its implications for the thermodynamics of computation reach into many areas of quantum and classical computing. It remains, however, still a hypothesis. Debate has often centred around simple toy models of a single particle in a box. Despite their simplicity, the ability of these systems to accurately represent thermodynamics (specifically to satisfy the second law and whether or not they display Landauer Erasure, has been a matter of ongoing argument. The recent Norton-Ladyman controversy is one such example. In this paper we introduce a programming language to describe these simple thermodynamic processes, and give a formal operational semantics and program logic as a basis for formal reasoning about thermodynamic systems. We formalise the basic single-particle operations as statements in the language, and then show that the second law must be satisfied by any composition of these basic operations. This is done by finding a computational invariant of the system. We show, furthermore, that this invariant requires an erasure cost to exist within the system, equal to kTln2 for a bit of information: Landauer Erasure becomes a theorem of the formal system. The Norton-Ladyman controversy can therefore be resolved in a rigorous fashion, and moreover the formalism we introduce gives a set of reasoning tools for further analysis of Landauer erasure, which are provably consistent with the second law of thermodynamics.

  5. Quantitative diagnosis of HER2 protein expressing breast cancer by single-particle quantum dot imaging.

    Science.gov (United States)

    Miyashita, Minoru; Gonda, Kohsuke; Tada, Hiroshi; Watanabe, Mika; Kitamura, Narufumi; Kamei, Takashi; Sasano, Hironobu; Ishida, Takanori; Ohuchi, Noriaki

    2016-10-01

    Overexpression of HER2 is one of the major causes of breast cancer, and therefore precise diagnosis of its protein expression level is important. However, current methods estimating the HER2-expression level are insufficient due to problem with the lack of quantification. This might result in a gap between diagnostics and therapeutics targeting HER2. Therefore, a new effective diagnostic method is needed. We developed a new immunohistochemical (IHC) technique with quantum dots (QD)-conjugated trastuzumab using single-particle imaging to quantitatively measure the HER2 expression level. Tissues from 37 breast cancer patients with available detailed clinical information were tested by IHC with QDs (IHC-QD) and the correlation with IHC with 3,3'-diaminobenzidine (DAB), fluorescence in situ hybridization (FISH), and IHC-QD was examined. The number of QD-conjugated trastuzumab particles binding specifically to a cancer cell was precisely calculated as the IHC-QD score. The IHC-QD score in 37 cases was correlated proportionally with the score of HER2 gene copy number as assessed by FISH (R = 0.83). When HER2 positivity was judged to be positive, the IHC-QD score with our cut-off level was exactly concordant with the FISH score with a cut-off value of 2.0. Furthermore, IHC-QDs score and time to progression (TTP) of trastuzumab therapy were well correlated in HER2-positive cases (R = 0.69). Conversely, the correlation between FISH score and TTP was not observed. We developed a precisely quantitative IHC method using trastuzumab-conjugated QDs and single-particle imaging analysis and propose the possibility of using IHC-QDs score as a predictive factor for trastuzumab therapy. © 2016 The Authors. Cancer Medicine published by John Wiley & Sons Ltd.

  6. Optical, magnetic, and single-particle excitations in the multiband Hubbard model for cuprate superconductors

    Science.gov (United States)

    Wagner, J.; Hanke, W.; Scalapino, D. J.

    1991-05-01

    On the basis of exact diagonalizations, a comparative study of two-particle optical and magnetic, as well as single-particle, excitations is presented for a two-dimensional (2D) multiorbital Hubbard model. For reasonable parameter sets appropriate for the cuprate superconductors, the single-particle excitations display strongly correlated states related to the Zhang-Rice Cu-O singlet construction. These states define the gap (to the upper Hubbard band) at half-filling and become partially occupied by doping holes in our 2×2 unit-cell system. The optical results, which are the first quantitative calculations performed for realistic parameters of the three-band Hubbard model, clearly show three allowed optical transitions: (i) itinerant motion of the Cu-O singlets, having (for doping concentrations x≠0) a spectral Drude distribution around ω=0 with spectral weight proportional to x; (ii) unbinding of the O hole from the Cu spin in the singlet. This gives, in particular, a strong absorption peak due to singlet-->nonbonding oxygen transitions, again with relative weight ~x. It is roughly centered at ω~JKondoUpd. They show a pronounced excitonic effect due to the p-d interaction Upd and have a reduced spectral weight shifted to higher energies for increased dopings. Findings (i)-(iii) are in general accordance with recent experimental data. Our study of the low-energy absorption is complemented with a numerical scaling analysis of the Drude weight in 1D, where, in particular, we find an interesting violation of Lenz's law for 4n-site Hubbard rings. Finally, the magnetic structure factor is calculated for the 2D case. For finite doping it contains a peak at 2JKondo, which should be detectable in experiment.

  7. Non-negative matrix factorization for the near real-time interpretation of absorption effects in elemental distribution images acquired by X-ray fluorescence imaging.

    Science.gov (United States)

    Alfeld, Matthias; Wahabzada, Mirwaes; Bauckhage, Christian; Kersting, Kristian; Wellenreuther, Gerd; Barriobero-Vila, Pere; Requena, Guillermo; Boesenberg, Ulrike; Falkenberg, Gerald

    2016-03-01

    Elemental distribution images acquired by imaging X-ray fluorescence analysis can contain high degrees of redundancy and weakly discernible correlations. In this article near real-time non-negative matrix factorization (NMF) is described for the analysis of a number of data sets acquired from samples of a bi-modal α+β Ti-6Al-6V-2Sn alloy. NMF was used for the first time to reveal absorption artefacts in the elemental distribution images of the samples, where two phases of the alloy, namely α and β, were in superposition. The findings and interpretation of the NMF results were confirmed by Monte Carlo simulation of the layered alloy system. Furthermore, it is shown how the simultaneous factorization of several stacks of elemental distribution images provides uniform basis vectors and consequently simplifies the interpretation of the representation.

  8. Measurement of the top quark mass with the matrix element method in the semileptonic decay channel at D0

    Energy Technology Data Exchange (ETDEWEB)

    Haefner, Petra [Ludwig Maximilian Univ., Munich (Germany)

    2008-07-31

    The top quark plays a special role in the Standard Model of Particle Physics. With its enormous mass of about 170 GeV it is as heavy as a gold atom and is the only quark with a mass near the electroweak scale. Together with theW boson mass, the top quark mass allows indirect constraints on the mass of the hypothetical Higgs boson, which might hold the clue to the origin of mass. Top pair production with a semileptonic decay t $\\bar{t}$ →W±W b$\\bar{b}$ →q $\\bar{t}$lnb$\\bar{b}$ is the ”golden channel” for mass measurements, due to a large branching fraction and a relatively low background contamination compared to other decay channels. Top mass measurements based on this decay, performed with the matrix element method, have always been among the single best measurements in the world. In 2007, the top mass world average broke the 1% level of precision. Its measurement is no longer dominated by statistical but instead by systematic uncertainties. The reduction of systematic uncertainties has therefore become a key issue for further progress. This thesis introduces two new developments in the treatment of b jets. The first improvement is an optimization in the way b identification information is used. It leads to an enhanced separation between signal and background processes and reduces the statistical uncertainty by about 16%. The second improvement determines differences in the detector response and thus the energy scales of light jets and b jets. Thereby, it addresses the major source of systematic uncertainty in the latest top mass measurements. The method was validated on Monte Carlo events at the generator level, calibrated with fully simulated events, including detector simulation, and applied to D0 Run II data corresponding to 1 fb-1 of integrated luminosity. Possible sources of systematic uncertainties were studied. The top mass is measured to be: mt = (169.2±3.5(stat.)±1.0(syst.)) GeV . The

  9. Matrix calculus

    CERN Document Server

    Bodewig, E

    1959-01-01

    Matrix Calculus, Second Revised and Enlarged Edition focuses on systematic calculation with the building blocks of a matrix and rows and columns, shunning the use of individual elements. The publication first offers information on vectors, matrices, further applications, measures of the magnitude of a matrix, and forms. The text then examines eigenvalues and exact solutions, including the characteristic equation, eigenrows, extremum properties of the eigenvalues, bounds for the eigenvalues, elementary divisors, and bounds for the determinant. The text ponders on approximate solutions, as well

  10. The use of cation exchange matrix separation coupled with ICP-MS to directly determine platinum group element (PGE) and other trace element emissions from passenger cars equipped with diesel particulate filters (DPF)

    Energy Technology Data Exchange (ETDEWEB)

    Cairns, Warren R.L.; Cozzi, Giulio [Institute for the Dynamics of Environmental Processes-CNR, Venice (Italy); De Boni, Antonella; Gabrieli, Jacopo [University of Venice, Department of Environmental Science, Venice (Italy); Asti, Massimo; Merlone Borla, Edoardo; Parussa, Flavio [Centro Ricerche Fiat, Orbassano (Italy); Moretto, Ezio [FIAT Powertrain Technologies S.p.A, Turin (Italy); Cescon, Paolo; Barbante, Carlo [University of Venice, Department of Environmental Science, Venice (Italy); Institute for the Dynamics of Environmental Processes-CNR, Venice (Italy); Boutron, Claude [Laboratoire de Glaciologie et Geophysique de l' Environnement, UMR CNRS 5183, B.P. 96, Saint Martin d' Heres Cedex (France)

    2011-03-15

    Inductively coupled plasma-mass spectrometry coupled with cation exchange matrix separation has been optimised for the direct determination of platinum group element (PGE) and trace element emissions from a diesel engine car. After matrix separation method detection limits of 1.6 ng g{sup -1} for Pd, 0.4 ng g{sup -1} for Rh and 4.3 ng g{sup -1} for Pt were achieved, the method was validated against the certified reference material BCR 723, urban road dust. The test vehicle was fitted with new and aged catalytic converters with and without diesel particulate filters (DPF). Samples were collected after three consecutive New European Driving Cycle (NEDC) of the particulate and ''soluble'' phases using a home-made sampler optimised for trace element analysis. Emission factors for the PGEs ranged from 0.021 ng km{sup -1} for Rh to 70.5 ng km{sup -1} for Pt; when a DPF was fitted, the emission factors for the PGEs actually used in the catalysts dropped by up to 97% (for Pt). Trace element emission factors were found to drop by a maximum of 92% for Ni to a minimum of 18% for Y when a DPF was fitted; a new DPF was also found to cause a reduction of up to 86% in the emission of particulate matter. (orig.)

  11. B s → Kℓν ℓ and B ( s) → π( K) ℓ + ℓ - decays at large recoil and CKM matrix elements

    Science.gov (United States)

    Khodjamirian, Alexander; Rusov, Aleksey V.

    2017-08-01

    We provide hadronic input for the B-meson semileptonic transitions to a light pseudoscalar meson at large recoil. The B s → K form factor calculated from QCD light-cone sum rule is updated, to be used for a | V ub | determination from the B s → Kℓν width. Furthermore, we calculate the hadronic input for the binned observables of B → πℓ + ℓ - and B → Kℓ + ℓ -. In addition to the form factors, the nonlocal hadronic matrix elements are obtained, combining QCD factorization and light-cone sum rules with hadronic dispersion relations. We emphasize that, due to nonlocal effects, the ratio of branching fractions of these decays is not sufficient for an accurate extraction of the | V td /V ts | ratio. Instead, we suggest to determine the Wolfenstein parameters A, ρ, η of the CKM matrix, combining the branching fractions of B → Kℓ + ℓ - and B → πℓ + ℓ - with the direct CP -asymmetry in the latter decay. We also obtain the hadronic matrix elements for a yet unexplored channel B s → Kℓ + ℓ -.

  12. Insight into the in-cloud formation of oxalate based on in situ measurement by single particle mass spectrometry

    Science.gov (United States)

    Zhang, Guohua; Lin, Qinhao; Peng, Long; Yang, Yuxiang; Fu, Yuzhen; Bi, Xinhui; Li, Mei; Chen, Duohong; Chen, Jianxin; Cai, Zhang; Wang, Xinming; Peng, Ping'an; Sheng, Guoying; Zhou, Zhen

    2017-11-01

    While ground-based works suggest the significance of in-cloud production (or aqueous formation) to oxalate, direct evidence is rare. With the in situ measurements performed at a remote mountain site (1690 m above sea level) in southern China, we first reported the size-resolved mixing state of oxalate in the cloud droplet residual (cloud RES), the cloud interstitial (cloud INT), and ambient (cloud-free) particles by single particle mass spectrometry. The results support the growing evidence that in-cloud aqueous reactions promote the formation of oxalate, with ˜ 15 % of the cloud RES and cloud INT particles containing oxalate in contrast to only ˜ 5 % of the cloud-free particles. Furthermore, individual particle analysis provides unique insight into the formation of oxalate during in-cloud processing. Oxalate was predominantly (> 70 % in number) internally mixed with the aged biomass-burning particles, highlighting the impact of biomass burning on the formation of oxalate. In contrast, oxalate was underrepresented in aged elemental carbon particles, although they represented the largest fraction of the detected particles. It can be interpreted by the individual particle mixing state that the aged biomass-burning particles contained an abundance of organic components serving as precursors for oxalate. Through the analysis of the relationship between oxalate and organic acids (-45[HCO2]-, -59[CH3CO2]-, -71[C2H3CO2]-, -73[C2HO3]-), the results show that in-cloud aqueous reactions dramatically improved the conversion of organic acids to oxalate. The abundance of glyoxylate associated with the aged biomass-burning particles is a controlling factor for the in-cloud production of oxalate. Since only limited information on oxalate is available in the free troposphere, the results also provide an important reference for future understanding of the abundance, evolution, and climate impacts of oxalate.

  13. Three dimensional finite element modeling of skeletal muscle using a two-domain approach: Linked fiber-matrix mesh model

    NARCIS (Netherlands)

    Yucesoy, C.A.; Huijing, P.A.J.B.M.; Koopman, Hubertus F.J.M.; Grootenboer, H.J.

    2002-01-01

    In previous applications of the finite element method in modeling mechanical behavior of skeletal muscle, the passive and active properties of muscle tissue were lumped in one finite element. Although this approach yields increased understanding of effects of force transmission, it does not support

  14. Basic Finite Element Method

    International Nuclear Information System (INIS)

    Lee, Byeong Hae

    1992-02-01

    This book gives descriptions of basic finite element method, which includes basic finite element method and data, black box, writing of data, definition of VECTOR, definition of matrix, matrix and multiplication of matrix, addition of matrix, and unit matrix, conception of hardness matrix like spring power and displacement, governed equation of an elastic body, finite element method, Fortran method and programming such as composition of computer, order of programming and data card and Fortran card, finite element program and application of nonelastic problem.

  15. 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.

  16. 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.

  17. Detection and characterisation of aluminium-containing nanoparticles in Chinese noodles by single particle ICP-MS

    DEFF Research Database (Denmark)

    Löschner, Katrin; Correia, Manuel; López Chaves, Carlos

    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 convent......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......-containing particles in food by spICP-MS....

  18. Integrated Method for Purification and Single-Particle Characterization of Lentiviral Vector Systems by Size Exclusion Chromatography and Tunable Resistive Pulse Sensing.

    Science.gov (United States)

    Heider, Susanne; Muzard, Julien; Zaruba, Marianne; Metzner, Christoph

    2017-07-01

    Elements derived from lentiviral particles such as viral vectors or virus-like particles are commonly used for biotechnological and biomedical applications, for example in mammalian protein expression, gene delivery or therapy, and vaccine development. Preparations of high purity are necessary in most cases, especially for clinical applications. For purification, a wide range of methods are available, from density gradient centrifugation to affinity chromatography. In this study we have employed size exclusion columns specifically designed for the easy purification of extracellular vesicles including exosomes. In addition to viral marker protein and total protein analysis, a well-established single-particle characterization technology, termed tunable resistive pulse sensing, was employed to analyze fractions of highest particle load and purity and characterize the preparations by size and surface charge/electrophoretic mobility. With this study, we propose an integrated platform combining size exclusion chromatography and tunable resistive pulse sensing for monitoring production and purification of viral particles.

  19. Online single particle measurements of black carbon coatings, structure and optical properties

    Science.gov (United States)

    Allan, James; Liu, Dantong; Taylor, Jonathan; Flynn, Michael; Williams, Paul; Morgan, William; Whitehead, James; Alfarra, Rami; McFiggans, Gordon; Coe, Hugh

    2016-04-01

    The impacts of black carbon on meteorology and climate remain a major source of uncertainty, owing in part to the complex relationship between the bulk composition of the particulates and their optical properties. A particular complication stems from how light interacts with particles in response to the microphysical configuration and any 'coatings', i.e. non-black carbon material that is either co-emitted or subsequently obtained through atmospheric processing. This may cause the particle to more efficiently absorb or scatter light and may even change the sign of its radiative forcing potential. While much insight has been gained through measurements of bulk aerosol properties, either while suspended or after collection on a filter or impactor substrate, this does not provide a complete picture and thus may not adequately constrain the system. Here we present an overview of recent work to better constrain the properties of black carbon using online, in situ measurements of single particles, primarily using a Single Particle Soot Photometer (SP2). We have developed novel methods of inverting the data produced and combining the different metrics derived so as to give the most effective insights into black carbon sources, processes and properties. We have also used this measurement in conjunction with other instruments (sometimes in series) and used the data to challenge many commonly used models of optical properties such as core-shell Mie, Rayleigh-Debeye-Gans and effective medium. This work has been carried out in a variety of atmospheric environments and with laboratory-produced soots, e.g. from a diesel engine rig. Highlights include the finding that with real-world atmospheric aerosols, bulk optical measurements may be insufficient to derive brown carbon parameters without detailed morphological data. We also show that the enhancement of absorption for both ambient and laboratory generated particles only occurs after the coating mass fraction reaches a certain

  20. 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

  1. Radiation damage in single-particle cryo-electron microscopy: effects of dose and dose rate

    International Nuclear Information System (INIS)

    Karuppasamy, Manikandan; Karimi Nejadasl, Fatemeh; Vulovic, Milos; Koster, Abraham J.; Ravelli, Raimond B. G.

    2011-01-01

    The effects of dose and dose-rate were investigated for single-particle cryo-electron microscopy using stroboscopic data collection. A dose-rate effect was observed favoring lower flux densities. Radiation damage is an important resolution limiting factor both in macromolecular X-ray crystallography and cryo-electron microscopy. Systematic studies in macromolecular X-ray crystallography greatly benefited from the use of dose, expressed as energy deposited per mass unit, which is derived from parameters including incident flux, beam energy, beam size, sample composition and sample size. In here, the use of dose is reintroduced for electron microscopy, accounting for the electron energy, incident flux and measured sample thickness and composition. Knowledge of the amount of energy deposited allowed us to compare doses with experimental limits in macromolecular X-ray crystallography, to obtain an upper estimate of radical concentrations that build up in the vitreous sample, and to translate heat-transfer simulations carried out for macromolecular X-ray crystallography to cryo-electron microscopy. Stroboscopic exposure series of 50–250 images were collected for different incident flux densities and integration times from Lumbricus terrestris extracellular hemoglobin. The images within each series were computationally aligned and analyzed with similarity metrics such as Fourier ring correlation, Fourier ring phase residual and figure of merit. Prior to gas bubble formation, the images become linearly brighter with dose, at a rate of approximately 0.1% per 10 MGy. The gradual decomposition of a vitrified hemoglobin sample could be visualized at a series of doses up to 5500 MGy, by which dose the sample was sublimed. Comparison of equal-dose series collected with different incident flux densities showed a dose-rate effect favoring lower flux densities. Heat simulations predict that sample heating will only become an issue for very large dose rates (50 e − Å −2 s

  2. 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

  3. 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

  4. 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

  5. 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.

  6. 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

  7. A review of progress in single particle tracking: from methods to biophysical insights

    Science.gov (United States)

    Manzo, Carlo; Garcia-Parajo, Maria F.

    2015-12-01

    Optical microscopy has for centuries been a key tool to study living cells with minimum invasiveness. The advent of single molecule techniques over the past two decades has revolutionized the field of cell biology by providing a more quantitative picture of the complex and highly dynamic organization of living systems. Amongst these techniques, single particle tracking (SPT) has emerged as a powerful approach to study a variety of dynamic processes in life sciences. SPT provides access to single molecule behavior in the natural context of living cells, thereby allowing a complete statistical characterization of the system under study. In this review we describe the foundations of SPT together with novel optical implementations that nowadays allow the investigation of single molecule dynamic events with increasingly high spatiotemporal resolution using molecular densities closer to physiological expression levels. We outline some of the algorithms for the faithful reconstruction of SPT trajectories as well as data analysis, and highlight biological examples where the technique has provided novel insights into the role of diffusion regulating cellular function. The last part of the review concentrates on different theoretical models that describe anomalous transport behavior and ergodicity breaking observed from SPT studies in living cells.

  8. Investigating single-particle structure in 26Na using the new SHARC array

    International Nuclear Information System (INIS)

    Wilson, G.L.; Catford, W.N.; Diget, C.Aa.

    2015-01-01

    The changing of the nuclear shells for light, neutron-rich nuclei, and the single-particle nature of 26 Na, has been explored by studying 25 Na(d, p) 26 Na in inverse kinematics, using a beam of 25 Na ions at 5 MeV per nucleon, provided by the ISAC-II facility at TRIUMF, Vancouver. Charged particles were detected with a highly-segmented silicon array that surrounded the 0.5 mg/cm 2 (CD 2 ) n target. Gamma rays from the recoiling 26 Na nucleus were detected using eight Compton-suppressed HPGe clover detectors. Recoil tagging was provided by an in-beam scintillation foil, downstream of the germanium array. A novel technique of utilising pγ- and pγγ-gating to extract proton angular distributions from states populated close in energy was employed with success. New states in 26 Na that are populated directly have been identified, using γ-decay patterns. Shell model calculations for comparison to experimental results are ongoing, using different model bases. (author)

  9. Investigating Single-Particle Structure in 26Na Using the New SHARC Array

    Science.gov (United States)

    Wilson, G. L.; Catford, W. N.; Diget, C. Aa.; Orr, N. A.; Matta, A.; Hackman, G.; Williams, S. J.; Simpson, E. C.; Celik, I. C.; Achouri, N. L.; Adsley, P.; Al-Falou, H.; Ashley, R.; Austin, R. A. E.; Ball, G. C.; Blackmon, J. C.; Boston, A. J.; Boston, H. C.; Brown, S. M.; Cross, D. S.; Djongolov, M.; Drake, T. E.; Hager, U.; Fox, S. P.; Fulton, B. R.; Galinski, N.; Garnsworthy, A. B.; Jamieson, D.; Kanungo, R.; Leach, K.; Orce, J. N.; Pearson, C. J.; Porter-Peden, M.; Sarazin, F.; Sjue, S.; Smalley, D.; Sumithrarachchi, C.; Triambak, S.; Unsworth, C.; Wadsworth, R.

    The changing of the nuclear shells for light, neutron-rich nuclei, and the single-particle nature of 26Na, has been explored by studying 25Na(d, p)26Na in inverse kinematics, using a beam of 25Na ions at 5 MeV per nucleon, provided by the ISAC-II facility at TRIUMF, Vancouver. Charged particles were detected with a highly-segmented silicon array that surrounded the 0.5 mg/cm2 (CD2)n target. Gamma rays from the recoiling 26Na nucleus were detected using eight Compton-suppressed HPGe clover detectors. Recoil tagging was provided by an in-beam scintillation foil, downstream of the germanium array. A novel technique of utilising pγ- and pγγ-gating to extract proton angular distributions from states populated close in energy was employed with success. New states in 26Na that are populated directly have been identified, using γ-decay patterns. Shell model calculations for comparison to experimental results are ongoing, using different model bases.

  10. 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.

  11. Single Particle Transport Through Carbon Nanotube Wires: Effect of Defects and Polyhedral Cap

    Science.gov (United States)

    Anantram, M. P.; Govidan, T. R.

    1999-01-01

    The ability to manipulate carbon nanotubes with increasing precision has enabled a large number of successful electron transport experiments. These studies have primarily focussed on characterizing transport through both metallic and semiconducting wires. Tans et al. demonstrated ballistic transport in single-wall nanotubes for the first time, although the experimental configuration incurred large contact resistance. Subsequently, methods of producing low contact resistances have been developed and two terminal conductances smaller than 50 k-ohms have been repeatably demonstrated in single-wall and multi-wall nanotubes. In multi-wall nanotubes, Frank et al. demonstrated a resistance of approximately h/2e(exp 2) in a configuration where the outermost layer made contact to a liquid metal. This was followed by the work of de Pablo et al. where a resistance of h(bar)/27e(exp 2) (approximately 478 ohms) was measured in a configuration where electrical contact was made to many layers of a multi-wall nanotube. Frank et al. and Pablo et al. note that each conducting layer contributes a conductance of only 2e(exp 2)/h, instead of the 4e(exp 2)/h that a single particle mode counting picture yields. These small resistances have been obtained in microns long nanotubes, making them the best conducting molecular wires to date. The large conductance of nanotube wires stems from the fact that the crossing bands of nanotubes are robust to defect scattering.

  12. Accelerators for critical experiments involving single-particle upset in solid-state microcircuits

    Science.gov (United States)

    Zoutendyk, J. A.

    1985-01-01

    Charged-particle interactions in microelectronic circuit chips (integrated circuits) present a particularly insidious problem for solid-state electronic systems due to the generation of soft errors or single-particle event upset (SEU) by either cosmic rays or other radiation sources. Particle accelerators are used to provide both light and heavy ions in order to assess the propensity of integrated circuit chips for SEU. Critical aspects of this assessment involve the ability to analytically model SEU for the prediction of error rates in known radiation environments. In order to accurately model SEU, the measurement and prediction of energy deposition in the form of an electron-hole plasma generated along an ion track is of paramount importance. This requires the use of accelerators which allow for ease in both energy control (change of energy) and change of ion species. This and other aspects of ion-beam control and diagnostics (e.g., uniformity and flux) are of critical concern for the experimental verification of theoretical SEU models.

  13. Scattering measurement of single particle for highly sensitive homogeneous detection of DNA in serum.

    Science.gov (United States)

    Zhu, Liang; Li, Guohua; He, Yonghong; Tan, Hui; Sun, Shuqing

    2018-02-01

    A highly sensitive homogeneous method for DNA detection has been developed. The system relies on two kinds of gold nanorod (AuNR) probes with complementary DNA sequences to the target DNA. In the presence of the target DNA, two kinds of AuNR probes are assembling into dimers or small aggregates. The target-induced AuNR aggregate has higher scattering intensity than that of a single AuNR because of the plasmonic coupling effect. Dark field microscopy was utilized to image the single particle and measure its scattering intensity. We wrote our own Matlab code and used it to extract the scattering signal of all particles. Difference in distribution of scattering intensity between the single AuNR and its aggregate provides a quantitative basis for the detection of target DNA. A linear dynamic range spanning from 0.1pM to 1nM and a detection limit of ~ 30fM were achieved for the detection of DNA in serum sample. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Particle interactions of fluticasone propionate and salmeterol xinafoate detected with single particle aerosol mass spectrometry (SPAMS).

    Science.gov (United States)

    Jetzer, Martin W; Morrical, Bradley D; Fergenson, David P; Imanidis, Georgios

    2017-10-30

    Particle co-associations between the active pharmaceutical ingredients fluticasone propionate and salmeterol xinafoate were examined in dry powder inhaled (DPI) and metered dose inhaled (MDI) combination products. Single Particle Aerosol Mass Spectrometry was used to investigate the particle interactions in Advair Diskus ® (500/50 mcg) and Seretide ® (125/25 mcg). A simple rules tree was used to identify each compound, either alone or co-associated at the level of the individual particle, using unique marker peaks in the mass spectra for the identification of each drug. High levels of drug particle co-association (fluticasone-salmeterol) were observed in the aerosols emitted from Advair Diskus ® and Seretide ® . The majority of the detected salmeterol particles were found to be in co-association with fluticasone in both tested devices. Another significant finding was that rather coarse fluticasone particles (in DPI) and fine salmeterol particles (both MDI and DPI) were forming the particle co-associations. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Robust model-based analysis of single-particle tracking experiments with Spot-On.

    Science.gov (United States)

    Hansen, Anders S; Woringer, Maxime; Grimm, Jonathan B; Lavis, Luke D; Tjian, Robert; Darzacq, Xavier

    2018-01-04

    Single-particle tracking (SPT) has become an important method to bridge biochemistry and cell biology since it allows direct observation of protein binding and diffusion dynamics in live cells. However, accurately inferring information from SPT studies is challenging due to biases in both data analysis and experimental design. To address analysis bias, we introduce 'Spot-On', an intuitive web-interface. Spot-On implements a kinetic modeling framework that accounts for known biases, including molecules moving out-of-focus, and robustly infers diffusion constants and subpopulations from pooled single-molecule trajectories. To minimize inherent experimental biases, we implement and validate stroboscopic photo-activation SPT (spaSPT), which minimizes motion-blur bias and tracking errors. We validate Spot-On using experimentally realistic simulations and show that Spot-On outperforms other methods. We then apply Spot-On to spaSPT data from live mammalian cells spanning a wide range of nuclear dynamics and demonstrate that Spot-On consistently and robustly infers subpopulation fractions and diffusion constants. © 2018, Hansen et al.

  16. 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.

  17. Single particle transfer reactions: what can they tell us about vibrational states

    International Nuclear Information System (INIS)

    Hering, W.R.

    1975-01-01

    The topic discussed concerns single particle transfer reactions (SPTR) which are, in general, used to study SP states. However, good SP states are rare objects in nature and people who try to look for them have often to settle with something less than ideal. Indeed the picture of a pure SP state is physically not even reasonable. It means that a nucleon is moving around a core nucleus which stays in its ground state: a process which one could call equivalent to elastic scattering of a nucleon which is not free but rather in a bound state. However it is shown that inelastic scattering is a very strong competitor to elastic scattering if the nucleus possesses states of high collectivity. Thus one would expect inelastic scattering to happen also while the nucleon is bound. This is a very intuitive picture of what is called the fragmentation of SP states. A final state psi sub(B) is populated by the transfer reaction A + a → B + b where psi sub(B) = α 1 phi 1 phi sub(A)(0) + α 2 phi 2 phi sub(A)(lambda). Hence the population of psi sub(B) automatically involves the collective state phi sub(A)(lambda). A discussion of how one can get information about phi sub(A)(lambda) out of the experimental data is given. (Auth.)

  18. Refined source apportionment of coal combustion sources by using single particle mass spectrometry.

    Science.gov (United States)

    Xu, Jiao; Wang, Haiting; Li, Xiujian; Li, Yue; Wen, Jie; Zhang, Jinsheng; Shi, Xurong; Li, Mei; Wang, Wei; Shi, Guoliang; Feng, Yinchang

    2018-06-15

    In this study, samples of three typical coal combustion source types, including Domestic bulk coal combustion (DBCC), Heat supply station (HSS), and Power plant (PP) were sampled and large sets of their mass spectra were obtained and analyzed by SPAMS during winter in a megacity in China. A primary goal of this study involves determining representative size-resolved single particle mass spectral signatures of three source types that can be used in source apportionment activities. Chemical types describe the majority of the particles of each source type were extracted by ART-2a algorithm with distinct size characteristics, and the corresponding tracer signals were identified. Mass spectral signatures from three source types were different from each other, and the tracer signals were effective in distinguishing different source types. A high size-resolution source apportionment method were proposed in this study through matching sources' mass spectral signatures to particle spectra in a twelve days ambient sampling to source apportion the particles. Contributions of three source types got different size characteristics, as HSS source got higher contribution in smaller sizes, But PP source got higher contributions as size increased. Source contributions were also quantified during two typical haze episodes, and results indicated that HSS source (for central-heating) and DBCC source (for domestic heating and cooking) may contribute evidently to pollution formation. Copyright © 2018. Published by Elsevier B.V.

  19. Single-Particle Tracking of Human Immunodeficiency Virus Type 1 Productive Entry into Human Primary Macrophages.

    Science.gov (United States)

    Li, Qin; Li, Wei; Yin, Wen; Guo, Jia; Zhang, Zhi-Ping; Zeng, Dejun; Zhang, Xiaowei; Wu, Yuntao; Zhang, Xian-En; Cui, Zongqiang

    2017-04-25

    Macrophages are one of the major targets of human immunodeficiency virus (HIV-1), but the viral entry pathway remains poorly understood in these cells. Noninvasive virus labeling and single-virus tracking are effective tools for studying virus entry. Here, we constructed a quantum dot (QD)-encapsulated infectious HIV-1 particle to track viral entry at a single-particle level in live human primary macrophages. QDs were encapsulated in HIV-1 virions by incorporating viral accessory protein Vpr-conjugated QDs during virus assembly. With the HIV-1 particles encapsulating QDs, we monitored the early phase of viral infection in real time and observed that, during infection, HIV-1 was endocytosed in a clathrin-mediated manner; the particles were translocated into Rab5A-positive endosomes, and the core was released into the cytoplasm by viral envelope-mediated endosomal fusion. Drug inhibition assays verified that endosome fusion contributes to HIV-1 productive infection in primary macrophages. Additionally, we observed that a dynamic actin cytoskeleton is critical for HIV-1 entry and intracellular migration in primary macrophages. HIV-1 dynamics and infection could be blocked by multiple different actin inhibitors. Our study revealed a productive entry pathway in macrophages that requires both endosomal function and actin dynamics, which may assist in the development of inhibitors to block the HIV entry in macrophages.

  20. Detection of Engineered Copper Nanoparticles in Soil Using Single Particle ICP-MS

    Directory of Open Access Journals (Sweden)

    Jana Navratilova

    2015-12-01

    Full Text Available Regulatory efforts rely on nanometrology for the development and implementation of laws regarding the incorporation of engineered nanomaterials (ENMs into industrial and consumer products. Copper is currently one of the most common metals used in the constantly developing and expanding sector of nanotechnology. The use of copper nanoparticles in products, such as agricultural biocides, cosmetics and paints, is increasing. Copper based ENMs will eventually be released to the environment through the use and disposal of nano-enabled products, however, the detection of copper ENMs in environmental samples is a challenging task. Single particle inductively coupled plasma mass spectroscopy (spICP-MS has been suggested as a powerful tool for routine nanometrology efforts. In this work, we apply a spICP-MS method for the detection of engineered copper nanomaterials in colloidal extracts from natural soil samples. Overall, copper nanoparticles were successfully detected in the soil colloidal extracts and the importance of dwell time, background removal, and sample dilution for method optimization and recovery maximization is highlighted.

  1. Pick-off annihilation of positronium in matter using full correlation single particle potentials: solid He.

    Science.gov (United States)

    Zubiaga, A; Tuomisto, F; Puska, M J

    2015-01-29

    We investigate the modeling of positronium (Ps) states and their pick-off annihilation trapped at open volumes pockets in condensed molecular matter. Our starting point is the interacting many-body system of Ps and a He atom because it is the smallest entity that can mimic the energy gap between the highest occupied and lowest unoccupied molecular orbitals of molecules, and yet the many-body structure of the HePs system can be calculated accurately enough. The exact-diagonalization solution of the HePs system enables us to construct a pairwise full-correlation single-particle potential for the Ps-He interaction, and the total potential in solids is obtained as a superposition of the pairwise potentials. We study in detail Ps states and their pick-off annihilation rates in voids inside solid He and analyze experimental results for Ps-induced voids in liquid He obtaining the radii of the voids. More importantly, we generalize our conclusions by testing the validity of the Tao-Eldrup model, widely used to analyze ortho-Ps annihilation measurements for voids in molecular matter, against our theoretical results for the solid He. Moreover, we discuss the influence of the partial charges of polar molecules and the strength of the van der Waals interaction on the pick-off annihilation rate.

  2. 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. ...

  3. Single Particle and PET-based Platform for Identifying Optimal Plasmonic Nano-Heaters for Photothermal Cancer Therapy

    DEFF Research Database (Denmark)

    Jørgensen, Jesper Tranekjær; Nørregaard, Kamilla; Tian, Pengfei

    2016-01-01

    Plasmonic nanoparticle-based photothermal cancer therapy is a promising new tool to inflict localized and irreversible damage to tumor tissue by hyperthermia, without harming surrounding healthy tissue. We developed a single particle and positron emission tomography (PET)-based platform to quanti...

  4. Large-Scale Single Particle and Cell Trapping based on Rotating Electric Field Induced-Charge Electroosmosis.

    Science.gov (United States)

    Wu, Yupan; Ren, Yukun; Tao, Ye; Hou, Likai; Jiang, Hongyuan

    2016-12-06

    We propose a simple, inexpensive microfluidic chip for large-scale trapping of single particles and cells based on induced-charge electroosmosis in a rotating electric field (ROT-ICEO). A central floating electrode array, was placed in the center of the gap between four driving electrodes with a quadrature configuration and used to immobilize single particles or cells. Cells were trapped on the electrode array by the interaction between ROT-ICEO flow and buoyancy flow. We experimentally optimized the efficiency of trapping single particles by investigating important parameters like particle or cell density and electric potential. Experimental and numerical results showed good agreement. The operation of the chip was verified by trapping single polystyrene (PS) microspheres with diameters of 5 and 20 μm and single yeast cells. The highest single particle occupancy of 73% was obtained using a floating electrode array with a diameter of 20 μm with an amplitude voltage of 5 V and frequency of 10 kHz for PS microbeads with a 5-μm diameter and density of 800 particles/μL. The ROT-ICEO flow could hold cells against fluid flows with a rate of less than 0.45 μL/min. This novel, simple, robust method to trap single cells has enormous potential in genetic and metabolic engineering.

  5. Single particle deformation and analysis of the same silica coated gold nanorods before and after fs-laser pulse excitation

    NARCIS (Netherlands)

    Albrecht, W.; Deng, Tian-Song; Goris, Bart; van Huis, M.A.; Bals, Sarah; van Blaaderen, Alfons

    2016-01-01

    We performed single particle deformation experiments on silicacoated gold nanorods under femtosecond (fs) illumination. Changes in the particle shape were analyzed by electron microscopy and associated changes in the plasmon resonance by electron energy loss spectroscopy. Silica-coated rods were

  6. 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

  7. A matrix free, partitioned solution of fluid-structure interaction problems using finite volume and finite element methods

    CSIR Research Space (South Africa)

    Suliman, Ridhwaan

    2015-01-01

    Full Text Available A fully-coupled partitioned finite volume–finite volume and hybrid finite volume–finite element fluid-structure interaction scheme is presented. The fluid domain is modelled as a viscous incompressible isothermal region governed by the Navier...

  8. Theory and computation of the matrix elements of the full interaction of the electromagnetic field with an atomic state: Application to the Rydberg and the continuous spectrum

    International Nuclear Information System (INIS)

    Komninos, Yannis; Mercouris, Theodoros; Nicolaides, Cleanthes A.

    2002-01-01

    We develop practical formulas for the calculation of the matrix elements of the interaction of the electromagnetic field with an atomic state, beyond the long-wavelength approximation. The atom-plus-field Hamiltonian is chosen to have the multipolar form, containing the electric, paramagnetic, and diamagnetic operators. The final workable expressions include the interactions to all orders and are derived by first expanding the fields in partial waves. The electric-field operator reaches a constant value as the radial variable becomes large, contrary to the result of the electric-dipole approximation (EDA) where the value of the corresponding operator increases indefinitely. Applications are given for Rydberg states of hydrogen up to n=50 and for free-free transitions in a Coulomb potential. Such matrix elements are relevant to a number of real and virtual processes occurring during laser-atom interactions. The computation is done numerically, using a combination of analytic with numerical techniques. By comparing the results of the EDA with those of the exact treatment, it is shown that the former is inadequate in such cases. This finding has repercussions on the theory and understanding of the physics of quantum systems in high-lying Rydberg levels and wave packets or in scattering states

  9. A search for the ttH (H → bb) channel at the Large Hadron Collider with the ATLAS detector using a matrix element method

    CERN Document Server

    Basye, Austin Thomas

    A matrix element method analysis of the Standard Model Higgs boson, produced in association with two top quarks decaying to the lepton-plus-jets channel is presented. Based on 20.3 fb−1 of √s=8 TeV data, produced at the Large Hadron Collider and collected by the ATLAS detector, this analysis utilizes multiple advanced techniques to search for tt ̄H signatures with a 125 GeV Higgs boson decaying to two b-quarks. After categorizing selected events based on their jet and b-tag multiplicities, signal rich regions are analyzed using the matrix element method. Resulting variables are then propagated to two parallel multivariate analyses utilizing Neural Networks and Boosted Decision Trees respectively. As no significant excess is found, an observed (expected) limit of 3.4 (2.2) times the Standard Model cross-section is determined at 95% confidence, using the CLs method, for the Neural Network analysis. For the Boosted Decision Tree analysis, an observed (expected) limit of 5.2 (2.7) times the Standard Model cr...

  10. Neutral kaon mixing beyond the Standard Model with n{sub f}=2+1 chiral fermions. Part 1: bare matrix elements and physical results

    Energy Technology Data Exchange (ETDEWEB)

    Garron, Nicolas [Theoretical Physics Division, Department of Mathematical Sciences, University of Liverpool,Brownlow Hill, Liverpool, L69 3BX (United Kingdom); Hudspith, Renwick J. [Department of Physics and Astronomy, York University,4700 Keele Street, Toronto, Ontario, M3J 1P3 (Canada); Lytle, Andrew T. [SUPA, School of Physics and Astronomy, University of Glasgow,University Avenue, Glasgow, G12 8QQ (United Kingdom); Collaboration: The RBC/UKQCD collaboration

    2016-11-02

    We compute the hadronic matrix elements of the four-quark operators relevant for K{sup 0}−K̄{sup 0} mixing beyond the Standard Model. Our results are from lattice QCD simulations with n{sub f}=2+1 flavours of domain-wall fermion, which exhibit continuum-like chiral-flavour symmetry. The simulations are performed at two different values of the lattice spacing (a∼0.08 and a∼0.11 fm) and with lightest unitary pion mass ∼300 MeV. For the first time, the full set of relevant four-quark operators is renormalised non-perturbatively through RI-SMOM schemes; a detailed description of the renormalisation procedure is presented in a companion paper. We argue that the intermediate renormalisation scheme is responsible for the discrepancies found by different collaborations. We also study different normalisations and determine the matrix elements of the relevant four-quark operators with a precision of ∼5% or better.

  11. An Axisymmetric Boundary Element Model for Determination of Articular Cartilage Pericellular Matrix Properties In situ via Inverse Analysis of Chondron Deformation

    Science.gov (United States)

    Kim, Eunjung; Guilak, Farshid; Haider, Mansoor A.

    2013-01-01

    The pericellular matrix (PCM) is the narrow tissue region surrounding all chondrocytes in articular cartilage and, together, the chondrocyte(s) and surrounding PCM have been termed the chondron. Previous theoretical and experimental studies suggest that the structure and properties of the PCM significantly influence the biomechanical environment at the microscopic scale of the chondrocytes within cartilage. In the present study, an axisymmetric boundary element method (BEM) was developed for linear elastic domains with internal interfaces. The new BEM was employed in a multiscale continuum model to determine linear elastic properties of the PCM in situ, via inverse analysis of previously reported experimental data for the three-dimensional morphological changes of chondrons within a cartilage explant in equilibrium unconfined compression (Choi et al., J Biomech, 40:2596–603, 2007). The microscale geometry of the chondron (cell and PCM) within the cartilage extracellular matrix (ECM) was represented as a three-zone equilibrated biphasic region comprised of an ellipsoidal chondrocyte with encapsulating PCM that was embedded within a spherical ECM subjected to boundary conditions for unconfined compression at its outer boundary. Accuracy of the three-zone BEM model was evaluated and compared to analytical finite element solutions. The model was then integrated with a nonlinear optimization technique (Nelder-Mead) to determine PCM elastic properties within the cartilage explant by solving an inverse problem associated with the in situ experimental data for chondron deformation. Depending on the assumed material properties of the ECM and the choice of cost function in the optimization, estimates of the PCM Young’s modulus ranged from ~24 to 59 kPa, consistent with previous measurements of PCM properties on extracted chondrons using micropipette aspiration. Taken together with previous experimental and theoretical studies of cell-matrix interactions in cartilage

  12. Principles and biophysical applications of single particle super-localization and rotational tracking

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Yan [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    While conventional Single Particle Tracking (SPT) techniques acquire 2D or 3D trajectories of particle probes, we have developed Single Particle Orientation and Rotational Tracking (SPORT) techniques to extract orientation and rotational information. Combined with DIC microscopy, the SPORT technique has been applied in biophysical studies, including membrane diffusion and intracellular transport. The rotational dynamics of nanoparticle vectors on live cell membranes was recorded and its influence on the fate of these nanoparticle vectors was elucidated. The rotational motions of gold nanorods with various surface modifiers were tracked continuously at a temporal resolution of 5 ms under a DIC microscope. We found that the rotational behaviors of gold nanorod vectors are strongly related to their surface charge, specific surface functional groups, and the availability of receptors on cell membranes. The study of rotational Brownian motion of nanoparticles on cell membranes will lead to a better understanding of the mechanisms of drug delivery and provide guidance in designing surface modification strategies for drug delivery vectors under various circumstances. To characterize the rotation mode of surface functionalized gold nanorods on cell membranes, the SPORT technique is combined with the correlation analysis of the bright and dark DIC intensities. The unique capabilities of visualizing and understanding rotational motions of functionalized nanoparticles on live cell membranes allow us to correlate rotational and translational dynamics in unprecedented detail and provide new insights for complex membrane processes, including electrostatic interactions, ligand-receptor binding, and lateral (confined and hopping) diffusion of membrane receptors. Surface-functionalized nanoparticles interact with the membrane in fundamentally different ways and exhibit distinct rotational modes. The early events of particle-membrane approach and attachment are directly visualized

  13. Characterisation of Black Carbon (BC) mixing state and flux in Beijing using single particle measurements.

    Science.gov (United States)

    Joshi, Rutambhara; Liu, Dantong; Allan, James; Coe, Hugh; Flynn, Michael; Broda, Kurtis; Olfert, Jason; Irwin, Martin; Sun, Yele; Fu, Pingqing; Wang, Junfeng; Ge, Xinlei; Langford, Ben; Nemitz, Eiko; Mullinger, Neil

    2017-04-01

    BC is generated by the incomplete combustion of carbonaceous fuels and it is an important component of fine PM2.5. In the atmosphere BC particles have a complex structure and its mixing state has crucial impact on optical properties. Quantifying the sources and emissions of black carbon in urban environments is important and presently uncertain, particularly in megacities undergoing rapid growth and change in emissions. During the winter of 2016 (10th Nov-10th Dec) the BC was characterised as part of a large joint UK-China field experiment in Beijing. This paper focuses on understanding the mixing state of BC as well as identification and quantification of BC sources. We used a combination of a Centrifugal Particle Mass Analyser (CPMA) and a Single Particle Soot Photometer (SP2) to uniquely quantify the morphology independent mass of single refractory BC particles and their coating content. The CPMA allows us to select pre-charged aerosol particles according to their mass to charge ratio and the SP2 provides information on the mass of refractory BC through a laser-induced incandescence method. Furthermore, another SP2 was used to measure the BC flux at 100m height using the Eddy Covariance method. We have successfully gathered 4 weeks of continuous measurements which include several severe pollution events in Beijing. Here we present preliminary results, characterising the distribution of coating mass on BC particles in Beijing and linking this to the main sources of BC in the city. We will provide initial estimates of the BC flux over a several kilometre footprint. Such analysis will provide important information for the further investigation of source distribution, emission, lifetime and optical properties of BC under complex environments in Beijing.

  14. RNA interference and single particle tracking analysis of hepatitis C virus endocytosis.

    Directory of Open Access Journals (Sweden)

    Kelly E Coller

    2009-12-01

    Full Text Available Hepatitis C virus (HCV enters hepatocytes following a complex set of receptor interactions, culminating in internalization via clathrin-mediated endocytosis. However, aside from receptors, little is known about the cellular molecular requirements for infectious HCV entry. Therefore, we analyzed a siRNA library that targets 140 cellular membrane trafficking genes to identify host genes required for infectious HCV production and HCV pseudoparticle entry. This approach identified 16 host cofactors of HCV entry that function primarily in clathrin-mediated endocytosis, including components of the clathrin endocytosis machinery, actin polymerization, receptor internalization and sorting, and endosomal acidification. We next developed single particle tracking analysis of highly infectious fluorescent HCV particles to examine the co-trafficking of HCV virions with cellular cofactors of endocytosis. We observe multiple, sequential interactions of HCV virions with the actin cytoskeleton, including retraction along filopodia, actin nucleation during internalization, and migration of internalized particles along actin stress fibers. HCV co-localizes with clathrin and the ubiquitin ligase c-Cbl prior to internalization. Entering HCV particles are associated with the receptor molecules CD81 and the tight junction protein, claudin-1; however, HCV-claudin-1 interactions were not restricted to Huh-7.5 cell-cell junctions. Surprisingly, HCV internalization generally occurred outside of Huh-7.5 cell-cell junctions, which may reflect the poorly polarized nature of current HCV cell culture models. Following internalization, HCV particles transport with GFP-Rab5a positive endosomes, which is consistent with trafficking to the early endosome. This study presents technical advances for imaging HCV entry, in addition to identifying new host cofactors of HCV infection, some of which may be antiviral targets.

  15. TrackMate: An open and extensible platform for single-particle tracking.

    Science.gov (United States)

    Tinevez, Jean-Yves; Perry, Nick; Schindelin, Johannes; Hoopes, Genevieve M; Reynolds, Gregory D; Laplantine, Emmanuel; Bednarek, Sebastian Y; Shorte, Spencer L; Eliceiri, Kevin W

    2017-02-15

    We present TrackMate, an open source Fiji plugin for the automated, semi-automated, and manual tracking of single-particles. It offers a versatile and modular solution that works out of the box for end users, through a simple and intuitive user interface. It is also easily scriptable and adaptable, operating equally well on 1D over time, 2D over time, 3D over time, or other single and multi-channel image variants. TrackMate provides several visualization and analysis tools that aid in assessing the relevance of results. The utility of TrackMate is further enhanced through its ability to be readily customized to meet specific tracking problems. TrackMate is an extensible platform where developers can easily write their own detection, particle linking, visualization or analysis algorithms within the TrackMate environment. This evolving framework provides researchers with the opportunity to quickly develop and optimize new algorithms based on existing TrackMate modules without the need of having to write de novo user interfaces, including visualization, analysis and exporting tools. The current capabilities of TrackMate are presented in the context of three different biological problems. First, we perform Caenorhabditis-elegans lineage analysis to assess how light-induced damage during imaging impairs its early development. Our TrackMate-based lineage analysis indicates the lack of a cell-specific light-sensitive mechanism. Second, we investigate the recruitment of NEMO (NF-κB essential modulator) clusters in fibroblasts after stimulation by the cytokine IL-1 and show that photodamage can generate artifacts in the shape of TrackMate characterized movements that confuse motility analysis. Finally, we validate the use of TrackMate for quantitative lifetime analysis of clathrin-mediated endocytosis in plant cells. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

  16. Overcoming challenges in single particle inductively coupled plasma mass spectrometry measurement of silver nanoparticles.

    Science.gov (United States)

    Liu, Jingyu; Murphy, Karen E; Winchester, Michael R; Hackley, Vincent A

    2017-10-01

    Single particle ICP-MS has evolved rapidly as a quantitative method for determining nanoparticle size and number concentration at environmentally relevant exposure levels. Central to the application of spICP-MS is a commonly used, but not rigorously validated, calibration approach based on the measured transport efficiency and the response of ionic standards. In this work, we present a comprehensive and systematic study of the accuracy, precision and robustness of spICP-MS using the rigorously characterized reference material (RM) 8017 (Polyvinylpyrrolidone Coated Nominal 75 nm Silver Nanoparticles), recently issued by the National Institute of Standards and Technology (NIST). We report for the first time, statistically significant differences in frequency-based and size-based measures of transport efficiency with NIST RM 8013 Gold Nanoparticles and demonstrate that the size-based measure of transport efficiency is more robust and yields accurate results for the silver nanoparticle RM relative to TEM-based reference values. This finding is significant, because the frequency-based method is more widely applied. Furthermore, we demonstrate that the use of acidified ionic standards improves measurement of ICP-MS Ag response, but does not degrade the accuracy of the results for AgNP suspensions in water or various other diluents. Approaches for controlling AgNP dissolution were investigated and are shown to effectively improve particle stability in dilute suspensions required for spICP-MS analysis, while minimally affecting the measured intensity and allowing for more robust analysis. This study is an important and necessary advancement toward full validation and adoption of spICP-MS by the broader research community. Graphical abstract Measurement challenges in spICP-MS analysis.

  17. FIREX-Related Biomass Burning Research Using ARM Single-Particle Soot Photometer Field Campaign Report

    Energy Technology Data Exchange (ETDEWEB)

    Onasch, Timothy B [Aerodyne Research, Inc.; Sedlacek, Arthur J [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2017-03-15

    The scientific focus of this study was to investigate and quantify the mass loadings, chemical compositions, and optical properties of biomass burning particulate emissions generated in the laboratory from Western U.S. fuels using a similar instrument suite to the one deployed on the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility Gulfstream-1 (G-1) aircraft during the 2013 Biomass Burning Observation Project (BBOP) field study (Kleinman and Sedlacek, 2013). We deployed the single-particle soot photometer (SP2) to make measurements of biomass burning refractory black carbon (rBC) mass loadings and size distributions to correlate with non-refractory particulate matter (NR-PM; i.e., HR-AMS) and rBC (SP-AMS) measurements as a function of photo-oxidation processes in an environmental chamber. With these measurements, we will address the following scientific questions: 1. What are the emission indices (g/kg fuel) of rBC from various wildland fuels from the Pacific Northwest (i.e., relevant to BBOP analysis) as a function of combustion conditions and simulated atmospheric processing in an environmental chamber? 2. What are the optical properties (e.g., mass-specific absorption cross-section [MAC], single-scattering albedo [SSA], and absorption Angstrom exponent [AAE)] of rBC emitted from various wildland fuels and how are they impacted by atmospheric processing? 3. How does the mixing state of rBC in biomass-burning plumes relate to the optical properties? 4. How does the emitted rBC affect radiative forcing?

  18. Insight into the in-cloud formation of oxalate based on in situ measurement by single particle mass spectrometry

    Directory of Open Access Journals (Sweden)

    G. Zhang

    2017-11-01

    Full Text Available While ground-based works suggest the significance of in-cloud production (or aqueous formation to oxalate, direct evidence is rare. With the in situ measurements performed at a remote mountain site (1690 m above sea level in southern China, we first reported the size-resolved mixing state of oxalate in the cloud droplet residual (cloud RES, the cloud interstitial (cloud INT, and ambient (cloud-free particles by single particle mass spectrometry. The results support the growing evidence that in-cloud aqueous reactions promote the formation of oxalate, with  ∼  15 % of the cloud RES and cloud INT particles containing oxalate in contrast to only  ∼  5 % of the cloud-free particles. Furthermore, individual particle analysis provides unique insight into the formation of oxalate during in-cloud processing. Oxalate was predominantly (> 70 % in number internally mixed with the aged biomass-burning particles, highlighting the impact of biomass burning on the formation of oxalate. In contrast, oxalate was underrepresented in aged elemental carbon particles, although they represented the largest fraction of the detected particles. It can be interpreted by the individual particle mixing state that the aged biomass-burning particles contained an abundance of organic components serving as precursors for oxalate. Through the analysis of the relationship between oxalate and organic acids (−45[HCO2]−, −59[CH3CO2]−, −71[C2H3CO2]−, −73[C2HO3]−, the results show that in-cloud aqueous reactions dramatically improved the conversion of organic acids to oxalate. The abundance of glyoxylate associated with the aged biomass-burning particles is a controlling factor for the in-cloud production of oxalate. Since only limited information on oxalate is available in the free troposphere, the results also provide an important reference for future understanding of the abundance, evolution, and climate impacts of oxalate.

  19. Top Quark Produced Through the Electroweak Force: Discovery Using the Matrix Element Analysis and Search for Heavy Gauge Bosons Using Boosted Decision Trees

    Energy Technology Data Exchange (ETDEWEB)

    Pangilinan, Monica [Brown Univ., Providence, RI (United States)

    2010-05-01

    The top quark produced through the electroweak channel provides a direct measurement of the Vtb element in the CKM matrix which can be viewed as a transition rate of a top quark to a bottom quark. This production channel of top quark is also sensitive to different theories beyond the Standard Model such as heavy charged gauged bosons termed W'. This thesis measures the cross section of the electroweak produced top quark using a technique based on using the matrix elements of the processes under consideration. The technique is applied to 2.3 fb-1 of data from the D0 detector. From a comparison of the matrix element discriminants between data and the signal and background model using Bayesian statistics, we measure the cross section of the top quark produced through the electroweak mechanism σ(p$\\bar{p}$ → tb + X, tqb + X) = 4.30-1.20+0.98 pb. The measured result corresponds to a 4.9σ Gaussian-equivalent significance. By combining this analysis with other analyses based on the Bayesian Neural Network (BNN) and Boosted Decision Tree (BDT) method, the measured cross section is 3.94 ± 0.88 pb with a significance of 5.0σ, resulting in the discovery of electroweak produced top quarks. Using this measured cross section and constraining |Vtb| < 1, the 95% confidence level (C.L.) lower limit is |Vtb| > 0.78. Additionally, a search is made for the production of W' using the same samples from the electroweak produced top quark. An analysis based on the BDT method is used to separate the signal from expected backgrounds. No significant excess is found and 95% C.L. upper limits on the production cross section are set for W' with masses within 600-950 GeV. For four general models of W{prime} boson production using decay channel W' → t$\\bar{p}$, the lower mass limits are the following: M(W'L with SM couplings) > 840 GeV; M(W'R) > 880 GeV or 890 GeV if the

  20. Patchy distribution of magma that fed the Bishop Tuff supereruption: Evidence from matrix glass major and trace-element compositions

    Science.gov (United States)

    Gualda, G. A. R.; Ghiorso, M. S.; Hurst, A. A.; Allen, M. C.; Bradshaw, R. W.

    2017-12-01

    For more than 40 years, the Bishop Tuff has been the archetypical example of a singular, zoned magma body that fed a supereruption. Early-erupted material is pyroxene-free and crystal poor (zircon saturation geothermometry. We apply the same methods to 1538 major-element and 615 trace-element analyses from Chamberlain et al. The results overwhelmingly demonstrate that there is no difference in crystallization temperature or pressure between early and late-erupted magmas. Crystallization pressures and temperatures are unimodal, with modes of 150 MPa and 730 °C (calibration of Watson & Harrison). Our results strongly support lateral juxtaposition of two main magma bodies. Smaller units recognized by Chamberlain et al. crystallized at the same pressures as the main bodies - this suggests the coexistence of larger and smaller magma bodies at the time of the Bishop Tuff supereruption. We compare our findings for the Bishop Tuff with results for very large and supereruptions elsewhere in the world. We argue that supereruptions typically mobilize a complex patchwork of magma bodies that reside within specific levels of the crust. They reveal moments of high-melt productivity in the crust, unlike what we observe in the Earth today.

  1. Measurement of the t-channel single-top-quark-production cross section and the CKM-matrix element Vtb with the CMS experiment

    International Nuclear Information System (INIS)

    Klingebiel, Dennis

    2014-01-01

    The electroweak production of single top quarks offers a unique access to the Cabibbo-Kobayashi-Maskawa (CKM) matrix element V tb , which is a fundamental parameter of the Standard Model of particle physics (SM). In this thesis, measurements of the inclusive t-channel single-top-quark-production cross section, the CKM-matrix element V tb , and the ratio of t-channel top-quark-production and top-antiquark-production cross sections are presented. Proton-proton collisions with a center-of-mass energy of 7 TeV are analyzed. These collisions were recorded with the Compact Muon Solenoid (CMS) experiment at the particle-accelerator complex Large Hadron Collider (LHC), which is operated by the European Organization for Nuclear Research (CERN) near Geneva, Switzerland. The analyzed data correspond to an integrated luminosity of 1.6/fb. This analysis uses events with at least two jets and either an electron or muon. Each event is classified according to the flavor and charge of the electron or muon, the number of jets, and the number of b-tagged jets. Signal and background processes are discriminated using Boosted Decision Trees (BDTs). The signal cross section is simultaneously measured in twelve orthogonal categories. A Bayesian approach is used to infer the signal cross section from data. Particular emphasis is placed on the modeling of systematic uncertainties and the evaluation of their impact on the measurement. Systematic uncertainties are incorporated as additional nuisance parameters into the likelihood function. Marginalization is used to eliminate the nuisance parameters. The single-top-quark t-channel production cross section is measured to be (66.6 +6.7 -6.2 ) pb. The measured value is in agreement with the next-to-next-to-leading order SM prediction. With a relative uncertainty of -9.3% +10.1%, this measurement is significantly more precise than previous measurements in proton-proton und proton-antiproton collisions. The absolute value of the CKM-matrix element

  2. Silver speciation and characterization of nanoparticles released from plastic food containers by single particle ICPMS.

    Science.gov (United States)

    Ramos, K; Gómez-Gómez, M M; Cámara, C; Ramos, L

    2016-05-01

    Silver migration from a commercial baby feeding bottle and a food box containing AgNPs, as confirmed by SEM-EDX analysis, was evaluated using food simulant solutions [i.e., water, 3% (v/v) acetic acid, and 10% and 90% (v/v) ethanol]. Silver release was investigated at temperatures in the 20-70°C range using contact times of up to 10 days. Migration of silver from the food box was in all cases 2 to 3 orders of magnitude higher than that observed for the baby bottle, although the total silver content in the original box material was half of that found in the baby bottle. As expected, for both food containers, silver migration depended on both the nature of the tested solution and the applied conditions. The highest release was observed for 3% acetic acid at 70°C for 2h, corresponding to 62ngdm(2) and 1887ngdm(-2) of silver for the baby bottle and the food box, respectively. Single particle-inductively coupled plasma mass spectrometry (SP-ICPMS) was used to characterise and quantify AgNPs in the food simulants extracts. Sample preparation was optimized to preserve AgNPs integrity. The experimental parameters affecting AgNPs detection, sizing and quantification by SP-ICPMS were also optimised. Analyses of water and acidic extracts revealed the presence of both dissolved silver and AgNPs. Small AgNPs (in the 18-30nm range) and particle number concentrations within the 4-1510 10(6)L(-1) range were detected, corresponding to only 0.1-8.6% of the total silver released from these materials. The only exception was AgNPs migrated into water at 40°C and 70°C from the food box, which accounted for as much as 34% and 69% of the total silver content, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Probing correlated quantum many-body systems at the single-particle level

    International Nuclear Information System (INIS)

    Endres, Manuel

    2013-01-01

    The detection of correlation and response functions plays a crucial role in the experimental characterization of quantum many-body systems. In this thesis, we present novel techniques for the measurement of such functions at the single-particle level. Specifically, we show the single-atom- and single-site-resolved detection of an ultracold quantum gas in an optical lattice. The quantum gas is described by the Bose-Hubbard model, which features a zero temperature phase transition from a superfluid to a Mott-insulating state, a paradigm example of a quantum phase transition. We used the aforementioned detection techniques to study correlation and response properties across the superfluid-Mott-insulator transition. The single-atom sensitivity of our method is achieved by fluorescence detection of individual atoms with a high signal-to-noise ratio. A high-resolution objective collects the fluorescence light and yields in situ 'snapshots' of the quantum gas that allow for a single-site-resolved reconstruction of the atomic distribution. This allowed us to measure two-site and non-local correlation-functions across the superfluid-Mott-insulator transition. Non-local correlation functions are based on the information of an extended region of the system and play an important role for the characterization of low-dimensional quantum phases. While non-local correlation functions were so far only theoretical tools, our results show that they are actually experimentally accessible. Furthermore, we used a new thermometry scheme, based on the counting of individual thermal excitations, to measure the response of the system to lattice modulation. Using this method, we studied the excitation spectrum of the system across the two-dimensional superfluid-Mott-insulator transition. In particular, we detected a 'Higgs' amplitude mode in the strongly-interacting superfluid close to the transition point where the system is described by an effectively Lorentz-invariant low-energy theory

  4. Probing correlated quantum many-body systems at the single-particle level

    Energy Technology Data Exchange (ETDEWEB)

    Endres, Manuel

    2013-02-27

    The detection of correlation and response functions plays a crucial role in the experimental characterization of quantum many-body systems. In this thesis, we present novel techniques for the measurement of such functions at the single-particle level. Specifically, we show the single-atom- and single-site-resolved detection of an ultracold quantum gas in an optical lattice. The quantum gas is described by the Bose-Hubbard model, which features a zero temperature phase transition from a superfluid to a Mott-insulating state, a paradigm example of a quantum phase transition. We used the aforementioned detection techniques to study correlation and response properties across the superfluid-Mott-insulator transition. The single-atom sensitivity of our method is achieved by fluorescence detection of individual atoms with a high signal-to-noise ratio. A high-resolution objective collects the fluorescence light and yields in situ 'snapshots' of the quantum gas that allow for a single-site-resolved reconstruction of the atomic distribution. This allowed us to measure two-site and non-local correlation-functions across the superfluid-Mott-insulator transition. Non-local correlation functions are based on the information of an extended region of the system and play an important role for the characterization of low-dimensional quantum phases. While non-local correlation functions were so far only theoretical tools, our results show that they are actually experimentally accessible. Furthermore, we used a new thermometry scheme, based on the counting of individual thermal excitations, to measure the response of the system to lattice modulation. Using this method, we studied the excitation spectrum of the system across the two-dimensional superfluid-Mott-insulator transition. In particular, we detected a 'Higgs' amplitude mode in the strongly-interacting superfluid close to the transition point where the system is described by an effectively Lorentz

  5. Improving the theoretical prediction for the Bs - B̅s width difference: matrix elements of next-to-leading order ΔB = 2 operators

    Directory of Open Access Journals (Sweden)

    Davies Christine

    2018-01-01

    Full Text Available We present lattice QCD results for the matrix elements of R2 and other dimension-7, ΔB = 2 operators relevant for calculations of Δs, the Bs - B̅s width difference. We have computed correlation functions using 5 ensembles of the MILC Collaboration’s 2+1 + 1-flavour gauge field configurations, spanning 3 lattice spacings and light sea quarks masses down to the physical point. The HISQ action is used for the valence strange quarks, and the NRQCD action is used for the bottom quarks. Once our analysis is complete, the theoretical uncertainty in the Standard Model prediction for ΔΓs will be substantially reduced.

  6. Time-dependent wave-packet method for the complete determination of S-matrix elements for reactive molecular collisions in three dimensions

    Science.gov (United States)

    Judson, Richard S.; Kouri, Donald J.; Neuhauser, Daniel; Baer, Michael

    1990-01-01

    An alternative time-dependent wave-packet method for treating three-dimensional gas phase reactive atom-diatom collisions is presented. The method employs a nonreactive body-frame wave packet propagation procedure, made possible by judicious use of absorbing optical potentials, a novel scheme for interpolating the wave function from coordinates in one arrangement to those in another and the fact that the time-dependent Schroedinger equation is an initial-value problem. The last feature makes possible a computationally viable and accurate procedure for changing from one arrangement's coordinates to another. In addition, the method allows the determination of S-matrix elements over a wide range of energies from a single wave-packet propagation. The method is illustrated by carrying out detailed calculations of inelastic and reactive scattering in the H + H2 system using the Liu-Siegbahn-Truhlar-Horowitz potential surface.

  7. Determination of the CKM-matrix element |Vub| from the electron energy spectrum measured in inclusive B→Xueν decay with the BABAR detector

    International Nuclear Information System (INIS)

    Lueck, Thomas

    2013-01-01

    This document presents a measurement of the CKM matrix-element vertical stroke V ub vertical stroke in inclusive semileptonic B→X u eν events on a dataset of 471 million B anti B events recorded by the BABAR detector. Inclusive B→X u eν decays are selected by reconstructing a high energetic electron (positron). Background suppression is achieved by selecting events with electron (positron) energies near the kinematical allowed endpoint of B→X u eν decays. A B→D * eν veto is applied to further suppress background. This veto uses D * mesons which have been reconstructed with a partial reconstruction technique.

  8. Synthesis of micro-sized shell-isolated 3D plasmonic superstructures for in situ single-particle SERS monitoring

    Science.gov (United States)

    Zhang, Kun; Zhao, Jingjing; Ji, Ji; Liu, Baohong

    2016-04-01

    A single-particle SERS system enabling real-time and in situ observation of Au-catalyzed reactions has been developed. Both the catalytic activity and the SERS effect are coupled into a single bi-functional 3D superstructure comprising Au nanosatellites self-assembled onto a shell-insulated Ag microflower core, which eliminates the interference from photocatalysis.A single-particle SERS system enabling real-time and in situ observation of Au-catalyzed reactions has been developed. Both the catalytic activity and the SERS effect are coupled into a single bi-functional 3D superstructure comprising Au nanosatellites self-assembled onto a shell-insulated Ag microflower core, which eliminates the interference from photocatalysis. Electronic supplementary information (ESI) available: Details of the synthesis and characterization of the Ag@SiO2@Au superstructures (SEM and TEM images, UV/vis and SERS spectra). See DOI: 10.1039/c6nr00278a

  9. Convergence of lateral dynamic measurements in the plasma membrane of live cells from single particle tracking and STED-FCS

    DEFF Research Database (Denmark)

    Lagerholm, B. Christoffer; Andrade, Débora M.; Clausen, Mathias P.

    2017-01-01

    Fluorescence correlation spectroscopy (FCS) in combination with the super-resolution imaging method STED (STED-FCS), and single-particle tracking (SPT) are able to directly probe the lateral dynamics of lipids and proteins in the plasma membrane of live cells at spatial scales much below the diff......Fluorescence correlation spectroscopy (FCS) in combination with the super-resolution imaging method STED (STED-FCS), and single-particle tracking (SPT) are able to directly probe the lateral dynamics of lipids and proteins in the plasma membrane of live cells at spatial scales much below...... the diffraction limit of conventional microscopy. However, a major disparity in interpretation of data from SPT and STED-FCS remains, namely the proposed existence of a very fast (unhindered) lateral diffusion coefficient, ≥5 μm2 s-1, in the plasma membrane of live cells at very short length scales, ≈ 100 nm...

  10. Determination of the ribosome structure to a resolution of 2.5 Å by single-particle cryo-EM.

    Science.gov (United States)

    Liu, Zheng; Gutierrez-Vargas, Cristina; Wei, Jia; Grassucci, Robert A; Sun, Ming; Espina, Noel; Madison-Antenucci, Susan; Tong, Liang; Frank, Joachim

    2017-01-01

    With the advance of new instruments and algorithms, and the accumulation of experience over decades, single-particle cryo-EM has become a pivotal part of structural biology. Recently, we determined the structure of a eukaryotic ribosome at 2.5 Å for the large subunit. The ribosome was derived from Trypanosoma cruzi, the protozoan pathogen of Chagas disease. The high-resolution density map allowed us to discern a large number of unprecedented details including rRNA modifications, water molecules, and ions such as Mg 2+ and Zn 2+ . In this paper, we focus on the procedures for data collection, image processing, and modeling, with particular emphasis on factors that contributed to the attainment of high resolution. The methods described here are readily applicable to other macromolecules for high-resolution reconstruction by single-particle cryo-EM. © 2016 The Protein Society.

  11. 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.

  12. Inclusive single-particle production in two-photon collisions at LEP II with the DELPHI detector

    CERN Document Server

    Abdallah, J.; Adam, W.; Adzic, P.; Albrecht, T.; Alemany-Fernandez, R.; Allmendinger, T.; Allport, P.P.; Amaldi, U.; Amapane, N.; Amato, S.; Anashkin, E.; Andreazza, A.; Andringa, S.; Anjos, N.; Antilogus, P.; Apel, W.D.; Arnoud, Y.; Ask, S.; Asman, B.; Augustin, J.E.; Augustinus, A.; Baillon, P.; Ballestrero, A.; Bambade, P.; Barbier, R.; Bardin, D.; Barker, G.J.; Baroncelli, A.; Battaglia, M.; Baubillier, M.; Becks, K.H.; Begalli, M.; Behrmann, A.; Ben-Haim, E.; Benekos, N.; Benvenuti, A.; Berat, C.; Berggren, M.; Bertrand, D.; Besancon, M.; Besson, N.; Bloch, D.; Blom, M.; Bluj, M.; Bonesini, M.; Boonekamp, M.; Booth, P.S.L.; Borisov, G.; Botner, O.; Bouquet, B.; Bowcock, T.J.V.; Boyko, I.; Bracko, M.; Brenner, R.; Brodet, E.; Bruckman, P.; Brunet, J.M.; Buschbeck, B.; Buschmann, P.; Calvi, M.; Camporesi, T.; Canale, V.; Carena, F.; Castro, N.; Cavallo, F.; Chapkin, M.; Charpentier, Ph.; Checchia, P.; Chierici, R.; Chliapnikov, P.; Chudoba, J.; Chung, S.U.; Cieslik, K.; Collins, P.; Contri, R.; Cosme, G.; Cossutti, F.; Costa, M.J.; Crennell, D.; Cuevas, J.; D'Hondt, J.; da Silva, T.; Da Silva, W.; Della Ricca, G.; De Angelis, A.; De Boer, W.; De Clercq, C.; De Lotto, B.; De Maria, N.; De Min, A.; de Paula, L.; Di Ciaccio, L.; Di Simone, A.; Doroba, K.; Drees, J.; Eigen, G.; Ekelof, T.; Ellert, M.; Elsing, M.; Espirito Santo, M.C.; Fanourakis, G.; Fassouliotis, D.; Feindt, M.; Fernandez, J.; Ferrer, A.; Ferro, F.; Flagmeyer, U.; Foeth, H.; Fokitis, E.; Fulda-Quenzer, F.; Fuster, J.; Gandelman, M.; Garcia, C.; Gavillet, Ph.; Gazis, E.; Gokieli, R.; Golob, B.; Gomez-Ceballos, G.; Goncalves, P.; Graziani, E.; Grosdidier, G.; Grzelak, K.; Guy, J.; Haag, C.; Hallgren, A.; Hamacher, K.; Hamilton, K.; Haug, S.; Hauler, F.; Hedberg, V.; Hennecke, M.; Hoffman, J.; Holmgren, S.O.; Holt, P.J.; Houlden, M.A.; Jackson, J.N.; Jarlskog, G.; Jarry, P.; Jeans, D.; Johansson, E.K.; Jonsson, P.; Joram, C.; Jungermann, L.; Kapusta, F.; Katsanevas, S.; Katsoufis, E.; Kernel, G.; Kersevan, B.P.; Kerzel, U.; King, B.T.; Kjaer, N.J.; Kluit, P.; Kokkinias, P.; Kourkoumelis, C.; Kouznetsov, O.; Krumstein, Z.; Kucharczyk, M.; Lamsa, J.; Leder, G.; Ledroit, F.; Leinonen, L.; Leitner, R.; Lemonne, J.; Lepeltier, V.; Lesiak, T.; Liebig, W.; Liko, D.; Lipniacka, A.; Lopes, J.H.; Lopez, J.M.; Loukas, D.; Lutz, P.; Lyons, L.; MacNaughton, J.; Malek, A.; Maltezos, S.; Mandl, F.; Marco, J.; Marco, R.; Marechal, B.; Margoni, M.; Marin, J.C.; Mariotti, C.; Markou, A.; Martinez-Rivero, C.; Masik, J.; Mastroyiannopoulos, N.; Matorras, F.; Matteuzzi, C.; Mazzucato, F.; Mazzucato, M.; Mc Nulty, R.; Meroni, C.; Migliore, E.; Mitaroff, W.; Mjoernmark, U.; Moa, T.; Moch, M.; Moenig, K.; Monge, R.; Montenegro, J.; Moraes, D.; Moreno, S.; Morettini, P.; Mueller, U.; Muenich, K.; Mulders, M.; Mundim, L.; Murray, W.; Muryn, B.; Myatt, G.; Myklebust, T.; Nassiakou, M.; Navarria, F.; Nawrocki, K.; Nemecek, S.; Nicolaidou, R.; Nikolenko, M.; Oblakowska-Mucha, A.; Obraztsov, V.; Olshevski, A.; Onofre, A.; Orava, R.; Osterberg, K.; Ouraou, A.; Oyanguren, A.; Paganoni, M.; Paiano, S.; Palacios, J.P.; Palka, H.; Papadopoulou, Th.D.; Pape, L.; Parkes, C.; Parodi, F.; Parzefall, U.; Passeri, A.; Passon, O.; Peralta, L.; Perepelitsa, V.; Perrotta, A.; Petrolini, A.; Piedra, J.; Pieri, L.; Pierre, F.; Pimenta, M.; Piotto, E.; Podobnik, T.; Poireau, V.; Pol, M.E.; Polok, G.; Pozdniakov, V.; Pukhaeva, N.; Pullia, A.; Radojicic, D.; Rebecchi, P.; Rehn, J.; Reid, D.; Reinhardt, R.; Renton, P.; Richard, F.; Ridky, J.; Rivero, M.; Rodriguez, D.; Romero, A.; Ronchese, P.; Roudeau, P.; Rovelli, T.; Ruhlmann-Kleider, V.; Ryabtchikov, D.; Sadovsky, A.; Salmi, L.; Salt, J.; Sander, C.; Savoy-Navarro, A.; Schwickerath, U.; Sekulin, R.; Siebel, M.; Sisakian, A.; Smadja, G.; Smirnova, O.; Sokolov, A.; Sopczak, A.; Sosnowski, R.; Spassov, T.; Stanitzki, M.; Stocchi, A.; Strauss, J.; Stugu, B.; Szczekowski, M.; Szeptycka, M.; Szumlak, T.; Tabarelli, T.; Tegenfeldt, F.; Timmermans, J.; Tkatchev, L.; Tobin, M.; Todorovova, S.; Tome, B.; Tonazzo, A.; Tortosa, P.; Travnicek, P.; Treille, D.; Tristram, G.; Trochimczuk, M.; Troncon, C.; Turluer, M.L.; Tyapkin, I.A.; Tyapkin, P.; Tzamarias, S.; Uvarov, V.; Valenti, G.; Van Dam, P.; Van Eldik, J.; van Remortel, N.; Van Vulpen, I.; Vegni, G.; Veloso, F.; Venus, W.; Verdier, P.; Verzi, V.; Vilanova, D.; Vitale, L.; Vrba, V.; Wahlen, H.; Washbrook, A.J.; Weiser, C.; Wicke, D.; Wickens, J.; Wilkinson, G.; Winter, M.; Witek, M.; Yushchenko, O.; Zalewska, A.; Zalewski, P.; Zavrtanik, D.; Zhuravlov, V.; Zimine, N.I.; Zintchenko, A.; Zupan, M.

    2009-01-01

    A study of the inclusive charged hadron production in two-photon collisions is described. The data were collected with the DELPHI detector at LEP II. Results on the inclusive single-particle p_T distribution and the differential charged hadrons dsigma/dp_T cross-section are presented and compared to the predictions of perturbative NLO QCD calculations and to published results.

  13. 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.

  14. A Problem For the Mush Model: Mismatch Between Trace Element Patterns Of Rhyolites And Dacite Matrix Glass

    Science.gov (United States)

    Glazner, A. F.; Wörner, G.

    2016-12-01

    Extraction of liquid from granodiorite mush—the "mush model" of crystal-liquid separation—is a widely accepted method for production of high-silica rhyolite. An obvious test of this hypothesis is to analyze glasses in dacite lavas and tuffs and see if they match the geochemical characteristics of rhyolites. We have done so for glass matrices of 12 dacites from 11 Pliocene-Quaternary volcanoes in the central Andes and find that their glasses, although broadly rhyolitic, fail to match the compositions of rhyolites in several key elements. The mush model thus fails this test. The sample set, analyzed by LA-ICPMS and FE-microprobe, comprises dacites and rhyodacites (avg whole-rock SiO2 67 wt%) with glassy or pumiceous textures and tens of % phenocrysts (dominantly hbl+bio+plag±qtz±san); reference dataset is 3400 silicic volcanic rocks (72-80 wt% SiO2) from circum-Pacific convergent margins. SiO2 in the glasses, calculated volatile-free, ranges up to 79 wt%, with several above the nominal igneous limit of 77.4 wt% and beyond nearly all rhyolites. Although elements that should be held by the crystal fraction (e.g., Ba, Sr, Zr, etc.) overlap with the reference dataset, Y and middle-heavy REE are uniformly lower in the glasses than in rhyolites, and REE patterns are uniformly more scoop-shaped than rhyolites. Modal titanite has only been found in 5 of the dacites; MREE depletion may reflect high modal hornblende. U and Th are significantly higher in the glasses than in rhyolites. It is unlikely that the 12 samples analyzed are all outliers, and we conclude that they contradict the hypothesis that convergent-margin rhyolites form by extraction of liquid from crystal mushes that congeal into granodiorite plutons. Our data are consistent with other failed tests of the mush hypothesis (e.g., comparisons of volcanic and plutonic rocks from the same setting; compositions of aplites) and physical reasoning (e.g., difficulty of separating sub-mm crystals from highly viscous

  15. A local-optimization refinement algorithm in single particle analysis for macromolecular complex with multiple rigid modules

    Directory of Open Access Journals (Sweden)

    Hong Shan

    2015-12-01

    Full Text Available ABSTRACT Single particle analysis, which can be regarded as an average of signals from thousands or even millions of particle projections, is an efficient method to study the three-dimensional structures of biological macromolecules. An intrinsic assumption in single particle analysis is that all the analyzed particles must have identical composition and conformation. Thus specimen heterogeneity in either composition or conformation has raised great challenges for high-resolution analysis. For particles with multiple conformations, inaccurate alignments and orientation parameters will yield an averaged map with diminished resolution and smeared density. Besides extensive classification approaches, here based on the assumption that the macromolecular complex is made up of multiple rigid modules whose relative orientations and positions are in slight fluctuation around equilibriums, we propose a new method called as local optimization refinement to address this conformational heterogeneity for an improved resolution. The key idea is to optimize the orientation and shift parameters of each rigid module and then reconstruct their three-dimensional structures individually. Using simulated data of 80S/70S ribosomes with relative fluctuations between the large (60S/50S and the small (40S/30S subunits, we tested this algorithm and found that the resolutions of both subunits are significantly improved. Our method provides a proof-of-principle solution for high-resolution single particle analysis of macromolecular complexes with dynamic conformations.

  16. A local-optimization refinement algorithm in single particle analysis for macromolecular complex with multiple rigid modules.

    Science.gov (United States)

    Shan, Hong; Wang, Zihao; Zhang, Fa; Xiong, Yong; Yin, Chang-Cheng; Sun, Fei

    2016-01-01

    Single particle analysis, which can be regarded as an average of signals from thousands or even millions of particle projections, is an efficient method to study the three-dimensional structures of biological macromolecules. An intrinsic assumption in single particle analysis is that all the analyzed particles must have identical composition and conformation. Thus specimen heterogeneity in either composition or conformation has raised great challenges for high-resolution analysis. For particles with multiple conformations, inaccurate alignments and orientation parameters will yield an averaged map with diminished resolution and smeared density. Besides extensive classification approaches, here based on the assumption that the macromolecular complex is made up of multiple rigid modules whose relative orientations and positions are in slight fluctuation around equilibriums, we propose a new method called as local optimization refinement to address this conformational heterogeneity for an improved resolution. The key idea is to optimize the orientation and shift parameters of each rigid module and then reconstruct their three-dimensional structures individually. Using simulated data of 80S/70S ribosomes with relative fluctuations between the large (60S/50S) and the small (40S/30S) subunits, we tested this algorithm and found that the resolutions of both subunits are significantly improved. Our method provides a proof-of-principle solution for high-resolution single particle analysis of macromolecular complexes with dynamic conformations.

  17. A tilt-pair based method for assigning the projection directions of randomly oriented single-particle molecules.

    Science.gov (United States)

    Ueno, Yutaka; Mine, Shouhei; Kawasaki, Kazunori

    2015-04-01

    In this article, we describe an improved method to assign the projection angle for averaged images using tilt-pair images for three-dimensional reconstructions from randomly oriented single-particle molecular images. Our study addressed the so-called 'initial volume problem' in the single-particle reconstruction, which involves estimation of projection angles of the particle images. The projected images of the particles in different tilt observations were mixed and averaged for the characteristic views. After the ranking of these group average images in terms of reliable tilt angle information, mutual tilt angles between images are assigned from the constituent tilt-pair information. Then, multiples of the conical tilt series are made and merged to construct a network graph of the particle images in terms of projection angles, which are optimized for the three-dimensional reconstruction. We developed the method with images of a synthetic object and applied it to a single-particle image data set of the purified deacetylase from archaea. With the introduction of low-angle tilt observations to minimize unfavorable imaging conditions due to tilting, the results demonstrated reasonable reconstruction models without imposing symmetry to the structure. This method also guides its users to discriminate particle images of different conformational state of the molecule. © 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.

  18. Effect of Structural Heterogeneity in Chemical Composition on Online Single-Particle Mass Spectrometry Analysis of Sea Spray Aerosol Particles.

    Science.gov (United States)

    Sultana, Camille M; Collins, Douglas B; Prather, Kimberly A

    2017-04-04

    Knowledge of the surface composition of sea spray aerosols (SSA) is critical for understanding and predicting climate-relevant impacts. Offline microscopy and spectroscopy studies have shown that dry supermicron SSA tend to be spatially heterogeneous particles with sodium- and chloride-rich cores surrounded by organic enriched surface layers containing minor inorganic seawater components such as magnesium and calcium. At the same time, single-particle mass spectrometry reveals several different mass spectral ion patterns, suggesting that there may be a number of chemically distinct particle types. This study investigates factors controlling single particle mass spectra of nascent supermicron SSA. Depth profiling experiments conducted on SSA generated by a fritted bubbler and total ion intensity analysis of SSA generated by a marine aerosol reference tank were compared with observations of ambient SSA observed at two coastal locations. Analysis of SSA produced by utilizing controlled laboratory methods reveals that single-particle mass spectra with weak sodium ion signals can be produced by the desorption of the surface of typical dry SSA particles composed of salt cores and organic-rich coatings. Thus, this lab-based study for the first time unifies findings from offline and online measurements as well as lab and field studies of the SSA particle-mixing state.

  19. Facilitating model reconstruction for single-particle scattering using small-angle X-ray scattering methods.

    Science.gov (United States)

    Ma, Shufen; Liu, Haiguang

    2016-04-01

    X-ray free-electron lasers generate intense femtosecond X-ray pulses, so that high-resolution structure determination becomes feasible from noncrystalline samples, such as single particles or single molecules. At the moment, the orientation of sample particles cannot be precisely controlled, and consequently the unknown orientation needs to be recovered using computational algorithms. This delays the model reconstruction until all the scattering patterns have been re-oriented, which often entails a long elapse of time and until the completion of the experiment. The scattering patterns from single particles or multiple particles can be summed to form a virtual powder diffraction pattern, and the low-resolution region, corresponding to the small-angle X-ray scattering (SAXS) regime, can be analysed using existing SAXS methods. This work presents a pipeline that converts single-particle data sets into SAXS data, from which real-time model reconstruction is achieved using the model retrieval approach implemented in the software package SASTBX [Liu, Hexemer & Zwart (2012). J. Appl. Cryst. 45 , 587-593]. To illustrate the applications, two case studies are presented with real experimental data sets collected at the Linac Coherent Light Source.

  20. 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.