Reduced-density-matrix theory and algebraic structures

International Nuclear Information System (INIS)

Kryachko, E.S.

1978-01-01

A survey of recent work on algebraic structures and reduced-density-matrix theory is presented. The approach leads to a method of classifying reduced density matrices and generalizes the notion of open and closed shells in many-body theory. 6 references

A J matrix engine for density functional theory calculations

International Nuclear Information System (INIS)

White, C.A.; Head-Gordon, M.

1996-01-01

We introduce a new method for the formation of the J matrix (Coulomb interaction matrix) within a basis of Cartesian Gaussian functions, as needed in density functional theory and Hartree endash Fock calculations. By summing the density matrix into the underlying Gaussian integral formulas, we have developed a J matrix open-quote open-quote engine close-quote close-quote which forms the exact J matrix without explicitly forming the full set of two electron integral intermediates. Several precomputable quantities have been identified, substantially reducing the number of floating point operations and memory accesses needed in a J matrix calculation. Initial timings indicate a speedup of greater than four times for the (pp parallel pp) class of integrals with speedups increasing to over ten times for (ff parallel ff) integrals. copyright 1996 American Institute of Physics

Dual descriptors within the framework of spin-polarized density functional theory.

Science.gov (United States)

Chamorro, E; Pérez, P; Duque, M; De Proft, F; Geerlings, P

2008-08-14

Spin-polarized density functional theory (SP-DFT) allows both the analysis of charge-transfer (e.g., electrophilic and nucleophilic reactivity) and of spin-polarization processes (e.g., photophysical changes arising from electron transitions). In analogy with the dual descriptor introduced by Morell et al. [J. Phys. Chem. A 109, 205 (2005)], we introduce new dual descriptors intended to simultaneously give information of the molecular regions where the spin-polarization process linking states of different multiplicity will drive electron density and spin density changes. The electronic charge and spin rearrangement in the spin forbidden radiative transitions S(0)-->T(n,pi(*)) and S(0)-->T(pi,pi(*)) in formaldehyde and ethylene, respectively, have been used as benchmark examples illustrating the usefulness of the new spin-polarization dual descriptors. These quantities indicate those regions where spin-orbit coupling effects are at work in such processes. Additionally, the qualitative relationship between the topology of the spin-polarization dual descriptors and the vertical singlet triplet energy gap in simple substituted carbene series has been also discussed. It is shown that the electron density and spin density rearrangements arise in agreement with spectroscopic experimental evidence and other theoretical results on the selected target systems.

Polarized Moessbauer transitions in mixed hyperfine interactions

International Nuclear Information System (INIS)

Barb, D.; Tarina, D.

1975-01-01

A contribution to the theory of elliptical polarization in the Moessbauer effect for transitions between mixed nuclear states is reported. A relation between the two-dimensional complex vector parameterization and the photon polarization density matrix was used in describing changes in the polarization of the gamma-ray involved. (A.K.)

Increased extracellular matrix density decreases MCF10A breast cell acinus formation in 3D culture conditions.

Science.gov (United States)

Lance, Amanda; Yang, Chih-Chao; Swamydas, Muthulekha; Dean, Delphine; Deitch, Sandy; Burg, Karen J L; Dréau, Didier

2016-01-01

The extracellular matrix (ECM) contributes to the generation and dynamic of normal breast tissue, in particular to the generation of polarized acinar and ductal structures. In vitro 3D culture conditions, including variations in the composition of the ECM, have been shown to directly influence the formation and organization of acinus-like and duct-like structures. Furthermore, the density of the ECM appears to also play a role in the normal mammary tissue and tumour formation. Here we show that the density of the ECM directly influences the number, organization and function of breast acini. Briefly, non-malignant human breast MCF10A cells were incubated in increasing densities of a Matrigel®-collagen I matrix. Elastic moduli near and distant to the acinus structures were measured by atomic force microscopy, and the number of acinus structures was determined. Immunochemistry was used to investigate the expression levels of E-cadherin, laminin, matrix metalloproteinase-14 and ß-casein in MCF10A cells. The modulus of the ECM was significantly increased near the acinus structures and the number of acinus structures decreased with the increase in Matrigel-collagen I density. As evaluated by the expression of laminin, the organization of the acinus structures present was altered as the density of the ECM increased. Increases in both E-cadherin and MMP14 expression by MCF10A cells as ECM density increased were also observed. In contrast, MCF10A cells expressed lower ß-casein levels as the ECM density increased. Taken together, these observations highlight the key role of ECM density in modulating the number, organization and function of breast acini. Copyright © 2013 John Wiley & Sons, Ltd.

Polarization Behavior of Squeeze Cast Al2O3 Fiber Reinforced Aluminum Matrix Composites

International Nuclear Information System (INIS)

Ham, S. H.; Kang, Y. C.; Cho, K. M.; Park, I. M.

1992-01-01

Electrochemical polarization behavior of squeeze cast Al 2 O 3 short fiber reinforced Al alloy matrix composites was investigated for the basic understanding of the corrosion properties of the composites. The composites were fabricated with variations of fiber volume fraction and matrix alloys. It was found that the reinforced composites are more susceptible to corrosion attack than the unreinforced matrix alloys in general. Corrosion resistance shows decreasing tendency with increasing Al 2 O 3 fiber volume fraction in AC8A matrix. Effect of the matrix alloys revealed that the AC8A Al matrix composite is less susceptible to corrosion attack than the 2024 and 7075 Al matrix composites. Effect of plastic deformation on electrochemical polarization behavior of the squeeze cast Al/Al 2 O 3 composites was examined after extrusion of AC8A-10v/o Al 2 O 3 . Result shows that corrosion resistance is deteriorated after plastic deformation

Two-body density matrix for closed s-d shell nuclei

International Nuclear Information System (INIS)

Dimitrova, S.S.; Kadrev, D.N.; Antonov, A.N.; Stoitsov, M.V.

2000-01-01

The two-body density matrix for 4 He, 16 O and 40 Ca within the Low-order approximation of the Jastrow correlation method is considered. Closed analytical expressions for the two-body density matrix, the center of mass and relative local densities and momentum distributions are presented. The effects of the short-range correlations on the two-body nuclear characteristics are investigated. (orig.)

Transition matrices and orbitals from reduced density matrix theory

Energy Technology Data Exchange (ETDEWEB)

Etienne, Thibaud [Université de Lorraine – Nancy, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); CNRS, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); Unité de Chimie Physique Théorique et Structurale, Université de Namur, Rue de Bruxelles 61, 5000 Namur (Belgium)

2015-06-28

In this contribution, we report two different methodologies for characterizing the electronic structure reorganization occurring when a chromophore undergoes an electronic transition. For the first method, we start by setting the theoretical background necessary to the reinterpretation through simple tensor analysis of (i) the transition density matrix and (ii) the natural transition orbitals in the scope of reduced density matrix theory. This novel interpretation is made more clear thanks to a short compendium of the one-particle reduced density matrix theory in a Fock space. The formalism is further applied to two different classes of excited states calculation methods, both requiring a single-determinant reference, that express an excited state as a hole-particle mono-excited configurations expansion, to which particle-hole correlation is coupled (time-dependent Hartree-Fock/time-dependent density functional theory) or not (configuration interaction single/Tamm-Dancoff approximation). For the second methodology presented in this paper, we introduce a novel and complementary concept related to electronic transitions with the canonical transition density matrix and the canonical transition orbitals. Their expression actually reflects the electronic cloud polarisation in the orbital space with a decomposition based on the actual contribution of one-particle excitations from occupied canonical orbitals to virtual ones. This approach validates our novel interpretation of the transition density matrix elements in terms of the Euclidean norm of elementary transition vectors in a linear tensor space. A proper use of these new concepts leads to the conclusion that despite the different principles underlying their construction, they provide two equivalent excited states topological analyses. This connexion is evidenced through simple illustrations of (in)organic dyes electronic transitions analysis.

ILK modulates epithelial polarity and matrix formation in hair follicles.

Science.gov (United States)

Rudkouskaya, Alena; Welch, Ian; Dagnino, Lina

2014-03-01

Hair follicle morphogenesis requires coordination of multiple signals and communication between its epithelial and mesenchymal constituents. Cell adhesion protein platforms, which include integrins and integrin-linked kinase (ILK), are critical for hair follicle formation. However, their precise contribution to this process is poorly understood. We show that in the absence of ILK, the hair follicle matrix lineage fails to develop, likely due to abnormalities in development of apical-basal cell polarity, as well as in laminin-511 and basement membrane assembly at the tip of the hair bud. These defects also result in impaired specification of hair matrix and absence of precortex and inner sheath root cell lineages. The molecular pathways affected in ILK-deficient follicles are similar to those in the absence of epidermal integrin β1 and include Wnt, but not sonic hedgehog, signaling. ILK-deficient hair buds also show abnormalities in the dermal papilla. Addition of exogenous laminin-511 restores morphological and molecular markers associated with hair matrix formation, indicating that ILK regulates hair bud cell polarity and functions upstream from laminin-511 assembly to regulate the developmental progression of hair follicles beyond the germ stage.

The problem of the universal density functional and the density matrix functional theory

International Nuclear Information System (INIS)

Bobrov, V. B.; Trigger, S. A.

2013-01-01

The analysis in this paper shows that the Hohenberg-Kohn theorem is the constellation of two statements: (i) the mathematically rigorous Hohenberg-Kohn lemma, which demonstrates that the same ground-state density cannot correspond to two different potentials of an external field, and (ii) the hypothesis of the existence of the universal density functional. Based on the obtained explicit expression for the nonrel-ativistic particle energy in a local external field, we prove that the energy of the system of more than two non-interacting electrons cannot be a functional of the inhomogeneous density. This result is generalized to the system of interacting electrons. It means that the Hohenberg-Kohn lemma cannot provide justification of the universal density functional for fermions. At the same time, statements of the density functional theory remain valid when considering any number of noninteracting ground-state bosons due to the Bose condensation effect. In the framework of the density matrix functional theory, the hypothesis of the existence of the universal density matrix functional corresponds to the cases of noninteracting particles and to interaction in the Hartree-Fock approximation.

Reduced density matrix functional theory at finite temperature

Energy Technology Data Exchange (ETDEWEB)

Baldsiefen, Tim

2012-10-15

Density functional theory (DFT) is highly successful in many fields of research. There are, however, areas in which its performance is rather limited. An important example is the description of thermodynamical variables of a quantum system in thermodynamical equilibrium. Although the finite-temperature version of DFT (FT-DFT) rests on a firm theoretical basis and is only one year younger than its brother, groundstate DFT, it has been successfully applied to only a few problems. Because FT-DFT, like DFT, is in principle exact, these shortcomings can be attributed to the difficulties of deriving valuable functionals for FT-DFT. In this thesis, we are going to present an alternative theoretical description of quantum systems in thermal equilibrium. It is based on the 1-reduced density matrix (1RDM) of the system, rather than on its density and will rather cumbersomly be called finite-temperature reduced density matrix functional theory (FT-RDMFT). Its zero-temperature counterpart (RDMFT) proved to be successful in several fields, formerly difficult to address via DFT. These fields include, for example, the calculation of dissociation energies or the calculation of the fundamental gap, also for Mott insulators. This success is mainly due to the fact that the 1RDM carries more directly accessible ''manybody'' information than the density alone, leading for example to an exact description of the kinetic energy functional. This sparks the hope that a description of thermodynamical systems employing the 1RDM via FT-RDMFT can yield an improvement over FT-DFT. Giving a short review of RDMFT and pointing out difficulties when describing spin-polarized systems initiates our work. We then lay the theoretical framework for FT-RDMFT by proving the required Hohenberg-Kohn-like theorems, investigating and determining the domain of FT-RDMFT functionals and by deriving several properties of the exact functional. Subsequently, we present a perturbative method to

Reduced density matrix functional theory at finite temperature

International Nuclear Information System (INIS)

Baldsiefen, Tim

2012-10-01

Density functional theory (DFT) is highly successful in many fields of research. There are, however, areas in which its performance is rather limited. An important example is the description of thermodynamical variables of a quantum system in thermodynamical equilibrium. Although the finite-temperature version of DFT (FT-DFT) rests on a firm theoretical basis and is only one year younger than its brother, groundstate DFT, it has been successfully applied to only a few problems. Because FT-DFT, like DFT, is in principle exact, these shortcomings can be attributed to the difficulties of deriving valuable functionals for FT-DFT. In this thesis, we are going to present an alternative theoretical description of quantum systems in thermal equilibrium. It is based on the 1-reduced density matrix (1RDM) of the system, rather than on its density and will rather cumbersomly be called finite-temperature reduced density matrix functional theory (FT-RDMFT). Its zero-temperature counterpart (RDMFT) proved to be successful in several fields, formerly difficult to address via DFT. These fields include, for example, the calculation of dissociation energies or the calculation of the fundamental gap, also for Mott insulators. This success is mainly due to the fact that the 1RDM carries more directly accessible ''manybody'' information than the density alone, leading for example to an exact description of the kinetic energy functional. This sparks the hope that a description of thermodynamical systems employing the 1RDM via FT-RDMFT can yield an improvement over FT-DFT. Giving a short review of RDMFT and pointing out difficulties when describing spin-polarized systems initiates our work. We then lay the theoretical framework for FT-RDMFT by proving the required Hohenberg-Kohn-like theorems, investigating and determining the domain of FT-RDMFT functionals and by deriving several properties of the exact functional. Subsequently, we present a perturbative method to iteratively construct

Localized electron density enhancements in the high-altitude polar ionosphere and their relationships with storm-enhanced density (SED plumes and polar tongues of ionization (TOI

Directory of Open Access Journals (Sweden)

Y. Kitanoya

2011-02-01

Full Text Available Events of localized electron density increase in the high-altitude (>3000 km polar ionosphere are occasionally identified by the thermal plasma instruments on the Akebono satellite. In this paper, we investigate the vertical density structure in one of such events in detail using simultaneous observations by the Akebono and DMSP F15 satellites, the SuperDARN radars, and a network of ground Global Positioning System (GPS receivers, and the statistical characteristics of a large number (>10 000 of such events using Akebono data over half of an 11-year solar cycle. At Akebono altitude, the parallel drift velocity is remarkably low and the O+ ion composition ratio remarkably high, inside the high plasma-density regions at high altitude. Detailed comparisons between Akebono, DMSP ion velocity and density, and GPS total electron content (TEC data suggest that the localized plasma density increase observed at high altitude on Akebono was likely connected with the polar tongue of ionization (TOI and/or storm enhanced density (SED plume observed in the F-region ionosphere. Together with the SuperDARN plasma convection map these data suggest that the TOI/SED plume penetrated into the polar cap due to anti-sunward convection and the plume existed in the same convection channel as the dense plasma at high altitude; in other words, the two were probably connected to each other by the convecting magnetic field lines. The observed features are consistent with the observed high-density plasma being transported from the mid-latitude ionosphere or plasmasphere and unlikely a part of the polar wind population.

Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms

Science.gov (United States)

Chan, Garnet Kin-Lic; Keselman, Anna; Nakatani, Naoki; Li, Zhendong; White, Steven R.

2016-07-01

Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.

The ab-initio density matrix renormalization group in practice

Energy Technology Data Exchange (ETDEWEB)

Olivares-Amaya, Roberto; Hu, Weifeng; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Nakatani, Naoki [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Catalysis Research Center, Hokkaido University, Kita 21 Nishi 10, Sapporo, Hokkaido 001-0021 (Japan)

2015-01-21

The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

The ab-initio density matrix renormalization group in practice.

Science.gov (United States)

Olivares-Amaya, Roberto; Hu, Weifeng; Nakatani, Naoki; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic

2015-01-21

The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

Spin transfer matrix formulation and snake resonances for polarized proton beams

International Nuclear Information System (INIS)

Tepikian, S.

1986-01-01

The polarization of a spin polarized proton beam in a circular accelerator is described by a spin transfer matrix. Using this method, they investigate three problems: (1) the crossing of multiple spin resonances, (2) resonance jumping and (3) an accelerator with Siberian snakes. When crossing two (or more) spin resonances, there are no analytic solutions available. However, they can obtain analytic expressions if the two spin resonances are well separated (nonoverlapping) or very close together (overlapping). Between these two extremes they resort to numerical solution of the spin equations. Resonance jumping can be studied using the tools developed for analyzing the cross of multiple spin resonances. These theoretical results compare favorably with experimental results obtained from the AGS at Brookhaven. For large accelerators, resonance jumping becomes impractical and other methods such as Siberian snakes must be used to keep the beam spin polarized. An accelerator with Siberian snakes and isolated spin resonances can be described with a spin transfer matrix. From this, they find a new type of spin depolarizing resonance, called snake resonances

Reduced density matrix functional theory via a wave function based approach

Energy Technology Data Exchange (ETDEWEB)

Schade, Robert; Bloechl, Peter [Institute for Theoretical Physics, Clausthal University of Technology, Clausthal (Germany); Pruschke, Thomas [Institute for Theoretical Physics, University of Goettingen, Goettingen (Germany)

2016-07-01

We propose a new method for the calculation of the electronic and atomic structure of correlated electron systems based on reduced density matrix functional theory (rDMFT). The density-matrix functional is evaluated on the fly using Levy's constrained search formalism. The present implementation rests on a local approximation of the interaction reminiscent to that of dynamical mean field theory (DMFT). We focus here on additional approximations to the exact density-matrix functional in the local approximation and evaluate their performance.

The SLAC high-density gaseous polarized 3He target

International Nuclear Information System (INIS)

Johnson, J.R.; Chupp, T.E.; Smith, T.B.; Cates, G.D.; Driehuys, B.; Middleton, H.; Newbury, N.R.; Hughes, E.W.; Meyer, W.

1995-01-01

A large-scale high-pressure gaseous 3 He polarized target has been developed for use with a high-intensity polarized electron beam at the Stanford Linear Accelerator Center. This target was used successfully in an experiment to study the spin structure of the neutron. The target provided an areal density of about 7x10 21 nuclei/cm 2 and operated at 3 He polarizations between about 30% and 40% for the six-week duration of the experiment. ((orig.))

Possibility of Quantum Teleportation and the Reduced Density Matrix

Institute of Scientific and Technical Information of China (English)

朱红波; 曾谨言

2001-01-01

It is shown that only the maximally entangled two-particle (spin 1/2) states whose one-particle reduced density matrix is p (i) = (1/2)I2 can realize the teleportation of an arbitrary one-particle spin state. Based on this,to teleport an arbitrary k-particle spin state, one must prepare an N-particle entangled state whose k-particle (k ＜ N) reduced density matrix has the structure 2-kI2k (I2k being the 2k × 2k identity matrix). The N-particle Greenberger-Horne-Zeilinger states cannot realize the teleportation of an arbitrary k-particle (N＞k≥2) state,except for special states with only two components.

Decay of autoionizing states in time-dependent density functional and reduced density matrix functional theory

Energy Technology Data Exchange (ETDEWEB)

Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

2013-07-01

Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.

The time-dependent density matrix renormalisation group method

Science.gov (United States)

Ma, Haibo; Luo, Zhen; Yao, Yao

2018-04-01

Substantial progress of the time-dependent density matrix renormalisation group (t-DMRG) method in the recent 15 years is reviewed in this paper. By integrating the time evolution with the sweep procedures in density matrix renormalisation group (DMRG), t-DMRG provides an efficient tool for real-time simulations of the quantum dynamics for one-dimensional (1D) or quasi-1D strongly correlated systems with a large number of degrees of freedom. In the illustrative applications, the t-DMRG approach is applied to investigate the nonadiabatic processes in realistic chemical systems, including exciton dissociation and triplet fission in polymers and molecular aggregates as well as internal conversion in pyrazine molecule.

Quantum reconstruction of an intense polarization squeezed optical state

DEFF Research Database (Denmark)

Marquardt, Ch.; Heersink, J.; Dong, R.

2007-01-01

We perform a reconstruction of the polarization sector of the density matrix of an intense polarization squeezed beam starting from a complete set of Stokes measurements. By using an appropriate quasidistribution, we map this onto the Poincare space, providing a full quantum mechanical characteri...

Imaging linear and circular polarization features in leaves with complete Mueller matrix polarimetry.

Science.gov (United States)

Patty, C H Lucas; Luo, David A; Snik, Frans; Ariese, Freek; Buma, Wybren Jan; Ten Kate, Inge Loes; van Spanning, Rob J M; Sparks, William B; Germer, Thomas A; Garab, Győző; Kudenov, Michael W

2018-06-01

Spectropolarimetry of intact plant leaves allows to probe the molecular architecture of vegetation photosynthesis in a non-invasive and non-destructive way and, as such, can offer a wealth of physiological information. In addition to the molecular signals due to the photosynthetic machinery, the cell structure and its arrangement within a leaf can create and modify polarization signals. Using Mueller matrix polarimetry with rotating retarder modulation, we have visualized spatial variations in polarization in transmission around the chlorophyll a absorbance band from 650 nm to 710 nm. We show linear and circular polarization measurements of maple leaves and cultivated maize leaves and discuss the corresponding Mueller matrices and the Mueller matrix decompositions, which show distinct features in diattenuation, polarizance, retardance and depolarization. Importantly, while normal leaf tissue shows a typical split signal with both a negative and a positive peak in the induced fractional circular polarization and circular dichroism, the signals close to the veins only display a negative band. The results are similar to the negative band as reported earlier for single macrodomains. We discuss the possible role of the chloroplast orientation around the veins as a cause of this phenomenon. Systematic artefacts are ruled out as three independent measurements by different instruments gave similar results. These results provide better insight into circular polarization measurements on whole leaves and options for vegetation remote sensing using circular polarization. Copyright © 2018 The Author(s). Published by Elsevier B.V. All rights reserved.

Proliferative effects of apical, but not basal, matrix metalloproteinase-7 activity in polarized MDCK cells

International Nuclear Information System (INIS)

Harrell, Permila C.; McCawley, Lisa J.; Fingleton, Barbara; McIntyre, J. Oliver; Matrisian, Lynn M.

2005-01-01

Matrix metalloproteinase-7 (MMP-7) is primarily expressed in glandular epithelium. Therefore, its mechanism of action may be influenced by its regulated vectorial release to either the apical and/or basolateral compartments, where it would act on its various substrates. To gain a better understanding of where MMP-7 is released in polarized epithelium, we have analyzed its pattern of secretion in polarized MDCK cells expressing stably transfected human MMP-7 (MDCK-MMP-7), and HCA-7 and Caco2 human colon cancer cell lines. In all cell lines, latent MMP-7 was secreted to both cellular compartments, but was 1.5- to 3-fold more abundant in the basolateral compartment as compared to the apical. However, studies in the MDCK system demonstrated that MMP-7 activity was 2-fold greater in the apical compartment of MDCK-MMP-7 HIGH -polarized monolayers, which suggests the apical co-release of an MMP-7 activator. In functional assays, MMP-7 over-expression increased cell saturation density as a result of increased cell proliferation with no effect on apoptosis. Apical MMP-7 activity was shown to be responsible for the proliferative effect, which occurred, as demonstrated by media transfer experiments, through cleavage of an apical substrate and not through the generation of a soluble factor. Taken together, our findings demonstrate the importance of MMP-7 secretion in relation to its mechanism of action when expressed in a polarized epithelium

Bond index: relation to second-order density matrix and charge fluctuations

International Nuclear Information System (INIS)

Giambiagi, M.S. de; Giambiagi, M.; Jorge, F.E.

1985-01-01

It is shown that, in the same way as the atomic charge is an invariant built from the first-order density matrix, the closed-shell generalized bond index is an invariant associated with the second-order reduced density matrix. The active charge of an atom (sum of bond indices) is shown to be the sum of all density correlation functions between it and the other atoms in the molecule; similarly, the self-charge is the fluctuation of its total charge. (Author) [pt

Truncation scheme of time-dependent density-matrix approach II

Energy Technology Data Exchange (ETDEWEB)

Tohyama, Mitsuru [Kyorin University School of Medicine, Mitaka, Tokyo (Japan); Schuck, Peter [Institut de Physique Nucleaire, IN2P3-CNRS, Universite Paris-Sud, Orsay (France); Laboratoire de Physique et de Modelisation des Milieux Condenses, CNRS et Universite Joseph Fourier, Grenoble (France)

2017-09-15

A truncation scheme of the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy for reduced density matrices, where a three-body density matrix is approximated by two-body density matrices, is improved to take into account a normalization effect. The truncation scheme is tested for the Lipkin model. It is shown that the obtained results are in good agreement with the exact solutions. (orig.)

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study.

Science.gov (United States)

Theophilou, Iris; Lathiotakis, Nektarios N; Helbig, Nicole

2018-03-21

We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study

Science.gov (United States)

Theophilou, Iris; Lathiotakis, Nektarios N.; Helbig, Nicole

2018-03-01

We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."

Correlated density matrix theory of spatially inhomogeneous Bose fluids

International Nuclear Information System (INIS)

Gernoth, K.A.; Clark, J.W.; Ristig, M.L.

1994-06-01

In this paper, the variational Hartree-Jastrow theory of the ground state of spatially inhomogeneous Bose systems is extended to finite temperatures. The theory presented here is a generalization also in the sense that it extends the correlated density matrix approach, formulated previously for uniform Bose fluids, to systems with nonuniform density profiles. The method provides a framework in which the effects of thermal excitations on the spatial structure of a Bose fluid, as represented by the density profile and the two-body distribution functions, may be discussed on the basis on an ab initio microscopic description of the system. Thermal excitations make their appearance through self-consistently determined one-body and two-body potentials which enter the nonlinear, coupled Euler-Lagrange equations for the one-body density and for the pair distribution function. Since back-flow correlations are neglected, the excitations are described by a Feynman eigenvalue equation, suitably generalized to nonzero temperatures. The only external quantities entering the correlated density matrix theory elaborated here are the bare two-body interaction potential and, in actual applications, the boundary conditions to be imposed on the one-body density. 30 refs

Explicit treatment of N-body correlations within a density-matrix formalism

International Nuclear Information System (INIS)

Shun-Jin, W.; Cassing, W.

1985-01-01

The nuclear many-body problem is reformulated in the density-matrix approach such that n-body correlations are separated out from the reduced density matrix rho/sub n/. A set of equations for the time evolution of the n-body correlations c/sub n/ is derived which allows for physically transparent truncations with respect to the order of correlations. In the stationary limit (c/sub n/ = 0) a restriction to two-body correlations yields a generalized Bethe-Goldstone equation a restriction to body correlations yields generalized Faddeev equations in the density-matrix formulation. Furthermore it can be shown that any truncation of the set of equations (c/sub n/ = 0, n>m) is compatible with conservation laws, a quality which in general is not fulfilled if higher order correlations are treated perturbatively

Correlation density matrices for one-dimensional quantum chains based on the density matrix renormalization group

International Nuclear Information System (INIS)

Muender, W; Weichselbaum, A; Holzner, A; Delft, Jan von; Henley, C L

2010-01-01

A useful concept for finding numerically the dominant correlations of a given ground state in an interacting quantum lattice system in an unbiased way is the correlation density matrix (CDM). For two disjoint, separated clusters, it is defined to be the density matrix of their union minus the direct product of their individual density matrices and contains all the correlations between the two clusters. We show how to extract from the CDM a survey of the relative strengths of the system's correlations in different symmetry sectors and the nature of their decay with distance (power law or exponential), as well as detailed information on the operators carrying long-range correlations and the spatial dependence of their correlation functions. To achieve this goal, we introduce a new method of analysing the CDM, termed the dominant operator basis (DOB) method, which identifies in an unbiased fashion a small set of operators for each cluster that serve as a basis for the dominant correlations of the system. We illustrate this method by analysing the CDM for a spinless extended Hubbard model that features a competition between charge density correlations and pairing correlations, and show that the DOB method successfully identifies their relative strengths and dominant correlators. To calculate the ground state of this model, we use the density matrix renormalization group, formulated in terms of a variational matrix product state (MPS) approach within which subsequent determination of the CDM is very straightforward. In an extended appendix, we give a detailed tutorial introduction to our variational MPS approach for ground state calculations for one-dimensional quantum chain models. We present in detail how MPSs overcome the problem of large Hilbert space dimensions in these models and describe all the techniques needed for handling them in practice.

Spin polarized and density modulated phases in symmetric electron-electron and electron-hole bilayers.

Science.gov (United States)

Kumar, Krishan; Moudgil, R K

2012-10-17

We have studied symmetric electron-electron and electron-hole bilayers to explore the stable homogeneous spin phase and the feasibility of inhomogeneous charge-/spin-density ground states. The former is resolved by comparing the ground-state energies in states of different spin polarizations, while the latter is resolved by searching for a divergence in the wavevector-dependent static charge/spin susceptibility. For this endeavour, we have used the dielectric approach within the self-consistent mean-field theory of Singwi et al. We find that the inter-layer interactions tend to change an abrupt spin-polarization transition of an isolated layer into a nearly gradual one, even though the partially spin-polarized phases are not clearly stable within the accuracy of our calculation. The transition density is seen to decrease with a reduction in layer spacing, implying a suppression of spin polarization by inter-layer interactions. Indeed, the suppression shows up distinctly in the spin susceptibility computed from the spin-polarization dependence of the ground-state energy. However, below a critical layer spacing, the unpolarized liquid becomes unstable against a charge-density-wave (CDW) ground state at a density preceding full spin polarization, with the transition density for the CDW state increasing on further reduction in the layer spacing. Due to attractive e-h correlations, the CDW state is found to be more pronounced in the e-h bilayer. On the other hand, the static spin susceptibility diverges only in the long-wavelength limit, which simply represents a transition to the homogeneous spin-polarized phase.

Exact many-body dynamics with stochastic one-body density matrix evolution

International Nuclear Information System (INIS)

Lacroix, D.

2004-05-01

In this article, we discuss some properties of the exact treatment of the many-body problem with stochastic Schroedinger equation (SSE). Starting from the SSE theory, an equivalent reformulation is proposed in terms of quantum jumps in the density matrix space. The technical details of the derivation a stochastic version of the Liouville von Neumann equation are given. It is shown that the exact Many-Body problem could be replaced by an ensemble of one-body density evolution, where each density matrix evolves according to its own mean-field augmented by a one-body noise. (author)

Impact of CLAS and COMPASS data on polarized parton densities and higher twist

International Nuclear Information System (INIS)

Leader, Elliot; Sidorov, Aleksander V.; Stamenov, Dimiter B.

2007-01-01

We have reanalyzed the world data on inclusive polarized deep inelastic scattering (DIS) including the very precise CLAS proton and deuteron data, as well as the latest COMPASS data on the asymmetry A 1 d , and have studied the impact of these data on polarized parton densities and higher twist effects. We demonstrate that the low Q 2 CLAS data improve essentially our knowledge of higher twist corrections to the spin structure function g 1 , while the large Q 2 COMPASS data influence mainly the strange quark density. In our new analysis we find that a negative polarized gluon density, or one that changes sign as a function of x, cannot be ruled out on the basis of the present DIS data

Two-loop massive operator matrix elements for polarized and unpolarized deep-inelastic scattering

Energy Technology Data Exchange (ETDEWEB)

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

2007-06-15

The O({alpha}{sup 2}{sub s}) massive operator matrix elements for unpolarized and polarized heavy flavor production at asymptotic values Q{sup 2} >> m{sup 2} are calculated in Mellin space without applying the integration-by-parts method. (orig.)

3-D time-domain induced polarization tomography: a new approach based on a source current density formulation

Science.gov (United States)

Soueid Ahmed, A.; Revil, A.

2018-04-01

Induced polarization (IP) of porous rocks can be associated with a secondary source current density, which is proportional to both the intrinsic chargeability and the primary (applied) current density. This gives the possibility of reformulating the time domain induced polarization (TDIP) problem as a time-dependent self-potential-type problem. This new approach implies a change of strategy regarding data acquisition and inversion, allowing major time savings for both. For inverting TDIP data, we first retrieve the electrical resistivity distribution. Then, we use this electrical resistivity distribution to reconstruct the primary current density during the injection/retrieval of the (primary) current between the current electrodes A and B. The time-lapse secondary source current density distribution is determined given the primary source current density and a distribution of chargeability (forward modelling step). The inverse problem is linear between the secondary voltages (measured at all the electrodes) and the computed secondary source current density. A kernel matrix relating the secondary observed voltages data to the source current density model is computed once (using the electrical conductivity distribution), and then used throughout the inversion process. This recovered source current density model is in turn used to estimate the time-dependent chargeability (normalized voltages) in each cell of the domain of interest. Assuming a Cole-Cole model for simplicity, we can reconstruct the 3-D distributions of the relaxation time τ and the Cole-Cole exponent c by fitting the intrinsic chargeability decay curve to a Cole-Cole relaxation model for each cell. Two simple cases are studied in details to explain this new approach. In the first case, we estimate the Cole-Cole parameters as well as the source current density field from a synthetic TDIP data set. Our approach is successfully able to reveal the presence of the anomaly and to invert its Cole

The density-matrix renormalization group: a short introduction.

Science.gov (United States)

Schollwöck, Ulrich

2011-07-13

The density-matrix renormalization group (DMRG) method has established itself over the last decade as the leading method for the simulation of the statics and dynamics of one-dimensional strongly correlated quantum lattice systems. The DMRG is a method that shares features of a renormalization group procedure (which here generates a flow in the space of reduced density operators) and of a variational method that operates on a highly interesting class of quantum states, so-called matrix product states (MPSs). The DMRG method is presented here entirely in the MPS language. While the DMRG generally fails in larger two-dimensional systems, the MPS picture suggests a straightforward generalization to higher dimensions in the framework of tensor network states. The resulting algorithms, however, suffer from difficulties absent in one dimension, apart from a much more unfavourable efficiency, such that their ultimate success remains far from clear at the moment.

Matrix density effects on the mechanical properties of SiC fiber-reinforced silicon nitride matrix properties

Science.gov (United States)

Bhatt, Ramakrishna T.; Kiser, Lames D.

1990-01-01

The room temperature mechanical properties were measured for SiC fiber reinforced reaction-bonded silicon nitride composites (SiC/RBSN) of different densities. The composites consisted of approx. 30 vol percent uniaxially aligned 142 micron diameter SiC fibers (Textron SCS-6) in a reaction-bonded Si3N4 matrix. The composite density was varied by changing the consolidation pressure during RBSN processing and by hot isostatically pressing the SiC/RBSN composites. Results indicate that as the consolidation pressure was increased from 27 to 138 MPa, the average pore size of the nitrided composites decreased from 0.04 to 0.02 microns and the composite density increased from 2.07 to 2.45 gm/cc. Nonetheless, these improvements resulted in only small increases in the first matrix cracking stress, primary elastic modulus, and ultimate tensile strength values of the composites. In contrast, HIP consolidation of SiC/RBSN resulted in a fully dense material whose first matrix cracking stress and elastic modulus were approx. 15 and 50 percent higher, respectively, and ultimate tensile strength values were approx. 40 percent lower than those for unHIPed SiC/RBSN composites. The modulus behavior for all specimens can be explained by simple rule-of-mixture theory. Also, the loss in ultimate strength for the HIPed composites appears to be related to a degradation in fiber strength at the HIP temperature. However, the density effect on matrix fracture strength was much less than would be expected based on typical monolithic Si3N4 behavior, suggesting that composite theory is indeed operating. Possible practical implications of these observations are discussed.

The Physics of Polarization

Science.gov (United States)

Landi Degl'Innocenti, Egidio

2015-10-01

The introductory lecture that has been delivered at this Symposium is a condensed version of an extended course held by the author at the XII Canary Island Winter School from November 13 to November 21, 2000. The full series of lectures can be found in Landi Degl'Innocenti (2002). The original reference is organized in 20 Sections that are here itemized: 1. Introduction, 2. Description of polarized radiation, 3. Polarization and optical devices: Jones calculus and Muller matrices, 4. The Fresnel equations, 5. Dichroism and anomalous dispersion, 6. Polarization in everyday life, 7. Polarization due to radiating charges, 8. The linear antenna, 9. Thomson scattering, 10. Rayleigh scattering, 11. A digression on Mie scattering, 12. Bremsstrahlung radiation, 13. Cyclotron radiation, 14. Synchrotron radiation, 15. Polarization in spectral lines, 16. Density matrix and atomic polarization, 17. Radiative transfer and statistical equilibrium equations, 18. The amplification condition in polarized radiative transfer, and 19. Coupling radiative transfer and statistical equilibrium equations.

One-body density matrix and the momentum density in 4He and 3He

International Nuclear Information System (INIS)

Whitlock, P.A.; Panoff, R.M.

1984-01-01

The one-body density matrix and the momentum density for liquid and solid 4 He, determined from Green's Function Monte Carlo calculations using the HFDHE2 pair potential, are described. Values for the condensate fraction and the kinetic energy derived from these calculations are given and compared to recent experimental results. Preliminary results from variational Monte Carlo calculations on n(r) and n(k) for liquid 3 He are also reported

Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units.

Science.gov (United States)

Cawkwell, M J; Sanville, E J; Mniszewski, S M; Niklasson, Anders M N

2012-11-13

The self-consistent solution of a Schrödinger-like equation for the density matrix is a critical and computationally demanding step in quantum-based models of interatomic bonding. This step was tackled historically via the diagonalization of the Hamiltonian. We have investigated the performance and accuracy of the second-order spectral projection (SP2) algorithm for the computation of the density matrix via a recursive expansion of the Fermi operator in a series of generalized matrix-matrix multiplications. We demonstrate that owing to its simplicity, the SP2 algorithm [Niklasson, A. M. N. Phys. Rev. B2002, 66, 155115] is exceptionally well suited to implementation on graphics processing units (GPUs). The performance in double and single precision arithmetic of a hybrid GPU/central processing unit (CPU) and full GPU implementation of the SP2 algorithm exceed those of a CPU-only implementation of the SP2 algorithm and traditional matrix diagonalization when the dimensions of the matrices exceed about 2000 × 2000. Padding schemes for arrays allocated in the GPU memory that optimize the performance of the CUBLAS implementations of the level 3 BLAS DGEMM and SGEMM subroutines for generalized matrix-matrix multiplications are described in detail. The analysis of the relative performance of the hybrid CPU/GPU and full GPU implementations indicate that the transfer of arrays between the GPU and CPU constitutes only a small fraction of the total computation time. The errors measured in the self-consistent density matrices computed using the SP2 algorithm are generally smaller than those measured in matrices computed via diagonalization. Furthermore, the errors in the density matrices computed using the SP2 algorithm do not exhibit any dependence of system size, whereas the errors increase linearly with the number of orbitals when diagonalization is employed.

Interplay between spin polarization and color superconductivity in high density quark matter

DEFF Research Database (Denmark)

Tsue, Yasuhiko; da Providência, João; Providência, Constança

2013-01-01

Here, it is suggested that a four-point interaction of the tensor type may lead to spin polarization in quark matter at high density. It is found that the two-flavor superconducting phase and the spin polarized phase correspond to distinct local minima of a certain generalized thermodynamical pot...

Differential sensitivity of epithelial cells to extracellular matrix in polarity establishment.

Directory of Open Access Journals (Sweden)

Shigenobu Yonemura

Full Text Available Establishment of apical-basal polarity is crucial for epithelial sheets that form a compartment in the body, which function to maintain the environment in the compartment. Effects of impaired polarization are easily observed in three-dimensional (3-D culture systems rather than in two-dimensional (2-D culture systems. Although the mechanisms for establishing the polarity are not completely understood, signals from the extracellular matrix (ECM are considered to be essential for determining the basal side and eventually generating polarity in the epithelial cells. To elucidate the common features and differences in polarity establishment among various epithelial cells, we analyzed the formation of epithelial apical-basal polarity using three cell lines of different origin: MDCK II cells (dog renal tubules, EpH4 cells (mouse mammary gland, and R2/7 cells (human colon expressing wild-type α-catenin (R2/7 α-Cate cells. These cells showed clear apical-basal polarity in 2-D cultures. In 3-D cultures, however, each cell line displayed different responses to the same ECM. In MDCK II cells, spheroids with a single lumen formed in both Matrigel and collagen gel. In R2/7 α-Cate cells, spheroids showed similar apical-basal polarity as that seen in MDCK II cells, but had multiple lumens. In EpH4 cells, the spheroids displayed an apical-basal polarity that was opposite to that seen in the other two cell types in both ECM gels, at least during the culture period. On the other hand, the three cell lines showed the same apical-basal polarity both in 2-D cultures and in 3-D cultures using the hanging drop method. The three lines also had similar cellular responses to ECM secreted by the cells themselves. Therefore, appropriate culture conditions should be carefully determined in advance when using various epithelial cells to analyze cell polarity or 3-D morphogenesis.

Spectral function from Reduced Density Matrix Functional Theory

Science.gov (United States)

Romaniello, Pina; di Sabatino, Stefano; Berger, Jan A.; Reining, Lucia

2015-03-01

In this work we focus on the calculation of the spectral function, which determines, for example, photoemission spectra, from reduced density matrix functional theory. Starting from its definition in terms of the one-body Green's function we derive an expression for the spectral function that depends on the natural occupation numbers and on an effective energy which accounts for all the charged excitations. This effective energy depends on the two-body as well as higher-order density matrices. Various approximations to this expression are explored by using the exactly solvable Hubbard chains.

Effects of matrix elasticity and cell density on human mesenchymal stem cells differentiation.

Science.gov (United States)

Xue, Ruyue; Li, Julie Yi-Shuan; Yeh, Yiting; Yang, Li; Chien, Shu

2013-09-01

Human mesenchymal stem cells (hMSCs) can differentiate into various cell types, including osteogenic and chondrogenic cells. The matrix elasticity and cell seeding density are important factors in hMSCs differentiation. We cultured hMSCs at different seeding densities on polyacrylamide hydrogels with different stiffness corresponding to Young's moduli of 1.6 ± 0.3 and 40 ± 3.6 kPa. The promotion of osteogenic marker expression by hard gel is overridden by a high seeding density. Cell seeding density, however, did not influence the chondrogenic marker expressions induced by soft gel. These findings suggest that interplays between cell-matrix and cell-cell interactions contribute to hMSCs differentiation. The promotion of osteogenic differentiation on hard matrix was shown to be mediated through the Ras pathway. Inhibition of Ras (RasN17) significantly decreased ERK, Smad1/5/8 and AKT activation, and osteogenic markers expression. However, constitutively active Ras (RasV12) had little effect on osteogenic marker expression, suggesting that the Ras pathways are necessary but not sufficient for osteogenesis. Taken together, our results indicate that matrix elasticity and cell density are important microenvironmental cues driving hMSCs proliferation and differentiation. Copyright © 2013 Orthopaedic Research Society.

Collagen Matrix Density Drives the Metabolic Shift in Breast Cancer Cells

Directory of Open Access Journals (Sweden)

Brett A. Morris

2016-11-01

Full Text Available Increased breast density attributed to collagen I deposition is associated with a 4–6 fold increased risk of developing breast cancer. Here, we assessed cellular metabolic reprogramming of mammary carcinoma cells in response to increased collagen matrix density using an in vitro 3D model. Our initial observations demonstrated changes in functional metabolism in both normal mammary epithelial cells and mammary carcinoma cells in response to changes in matrix density. Further, mammary carcinoma cells grown in high density collagen matrices displayed decreased oxygen consumption and glucose metabolism via the tricarboxylic acid (TCA cycle compared to cells cultured in low density matrices. Despite decreased glucose entry into the TCA cycle, levels of glucose uptake, cell viability, and ROS were not different between high and low density matrices. Interestingly, under high density conditions the contribution of glutamine as a fuel source to drive the TCA cycle was significantly enhanced. These alterations in functional metabolism mirrored significant changes in the expression of metabolic genes involved in glycolysis, oxidative phosphorylation, and the serine synthesis pathway. This study highlights the broad importance of the collagen microenvironment to cellular expression profiles, and shows that changes in density of the collagen microenvironment can modulate metabolic shifts of cancer cells.

Single-particle density matrix and superfluidity in the two-dimensional Bose Coulomb fluid

International Nuclear Information System (INIS)

Minguzzi, A.; Tosi, M.P.; Davoudi, B.

2002-01-01

A study by Magro and Ceperley [Phys. Rev. Lett. 73, 826 (1994)] has shown that the ground state of the two-dimensional fluid of charged bosons with logarithmic interactions is not Bose condensed, but exhibits algebraic off-diagonal order in the single-particle density matrix ρ(r). We use a hydrodynamic Hamiltonian expressed in terms of density and phase operators, in combination with an f-sum rule on the superfluid fraction, to reproduce these results and to extend the evaluation of the density matrix to finite temperature T. This approach allows us to treat the liquid as a superfluid in the absence of a condensate. The algebraic decay of the one-body density matrix is due to correlations between phase fluctuations, and we find that the exponent in the power law is determined by the superfluid density n s (T). We also find that the plasmon gap in the single-particle energy spectrum at long wavelengths decreases with increasing T and closes at the critical temperature for the onset of superfluidity

Comment on "Nonuniqueness of algebraic first-order density-matrix functionals"

Science.gov (United States)

Gritsenko, O. V.

2018-02-01

Wang and Knowles (WK) [Phys. Rev. A 92, 012520 (2015), 10.1103/PhysRevA.92.012520] have given a counterexample to the conventional in reduced density-matrix functional theory representation of the second-order reduced density matrix (2RDM) Γi j ,k l in the basis of the natural orbitals as a function Γi j ,k l(n ) of the orbital occupation numbers (ONs) ni. The observed nonuniqueness of Γi j ,k l for prototype systems of different symmetry has been interpreted as the inherent inability of ON functions to reproduce the 2RDM, due to the insufficient information contained in the 1RDM spectrum. In this Comment, it is argued that, rather than totally invalidating Γi j ,k l(n ) , the WK example exposes its symmetry dependence which, as well as the previously established analogous dependence in density functional theory, is demonstrated with a general formulation based on the Levy constrained search.

A Comparative Study of Collagen Matrix Density Effect on Endothelial Sprout Formation Using Experimental and Computational Approaches.

Science.gov (United States)

Shamloo, Amir; Mohammadaliha, Negar; Heilshorn, Sarah C; Bauer, Amy L

2016-04-01

A thorough understanding of determining factors in angiogenesis is a necessary step to control the development of new blood vessels. Extracellular matrix density is known to have a significant influence on cellular behaviors and consequently can regulate vessel formation. The utilization of experimental platforms in combination with numerical models can be a powerful method to explore the mechanisms of new capillary sprout formation. In this study, using an integrative method, the interplay between the matrix density and angiogenesis was investigated. Owing the fact that the extracellular matrix density is a global parameter that can affect other parameters such as pore size, stiffness, cell-matrix adhesion and cross-linking, deeper understanding of the most important biomechanical or biochemical properties of the ECM causing changes in sprout morphogenesis is crucial. Here, we implemented both computational and experimental methods to analyze the mechanisms responsible for the influence of ECM density on the sprout formation that is difficult to be investigated comprehensively using each of these single methods. For this purpose, we first utilized an innovative approach to quantify the correspondence of the simulated collagen fibril density to the collagen density in the experimental part. Comparing the results of the experimental study and computational model led to some considerable achievements. First, we verified the results of the computational model using the experimental results. Then, we reported parameters such as the ratio of proliferating cells to migrating cells that was difficult to obtain from experimental study. Finally, this integrative system led to gain an understanding of the possible mechanisms responsible for the effect of ECM density on angiogenesis. The results showed that stable and long sprouts were observed at an intermediate collagen matrix density of 1.2 and 1.9 mg/ml due to a balance between the number of migrating and proliferating

Metallicity at interphase boundaries due to polar catastrophe induced by charge density discontinuity

KAUST Repository

Albar, Arwa

2018-02-09

The electronic properties of interphase boundaries are of basic importance for most materials, particularly when those properties deviate strongly from the bulk behavior. We introduce a mechanism that can result in metallicity at stoichiometric interphase boundaries between semiconductors based on the idea of polar catastrophe, which is usually considered only in the context of heterostructures. To this end, we perform ab initio calculations within density functional theory to investigate the electronic states at stoichiometric SnO/SnO2 (110) interphase boundaries. In this system, one would not expect polar catastrophe to have a role according to state-of-the-art theory because the interface lacks formal charge discontinuity. However, we observe the formation of a hole gas between the semiconductors SnO and SnO2. To explain these findings, we provide a generalized theory based on the idea that the charge density discontinuity between SnO and SnO2, a consequence of lattice mismatch, drives a polar catastrophe scenario. As a result, SnO/SnO2 (110) interphase boundaries can develop metallicity depending on the grain size. The concept of metallicity due to polar catastrophe induced by charge density discontinuity is of general validity and applies to many interphase boundaries with lattice mismatch.

Large plasma density enhancements occurring in the northern polar region during the 6 April 2000 superstorm

Science.gov (United States)

Horvath, Ildiko; Lovell, Brian C.

2014-06-01

We focus on the ionospheric response of northern high-latitude region to the 6 April 2000 superstorm and aim to investigate how the storm-enhanced density (SED) plume plasma became distributed in the regions of auroral zone and polar cap plus to study the resultant ionospheric features and their development. Multi-instrument observational results combined with model-generated, two-cell convection maps permitted identifying the high-density plasma's origin and the underlying plasma transportation processes. Results show the plasma density feature of polar cap enhancement (PCE; 600 × 103 i+/cm3) appearing for 7 h during the main phase and characterized by increases reaching up to 6 times of the quiet time values. Meanwhile, strong westward convections ( 17,500 m/s) created low plasma densities in a wider region of the dusk cell. Oppositely, small ( 750 m/s) but rigorous westward drifts drove the SED plume plasma through the auroral zone, wherein plasma densities doubled. As the SED plume plasma traveled along the convection streamlines and entered the polar cap, a continuous enhancement of the tongue of ionization (TOI) developed under steady convection conditions. However, convection changes caused slow convections and flow stagnations and thus segmented the TOI feature by locally depleting the plasma in the affected regions of the auroral zone and polar cap. From the strong correspondence of polar cap potential drop and subauroral polarization stream (SAPS), we conclude that the SAPS E-field strength remained strong, and under its prolonged influence, the SED plume provided a continuous supply of downward flowing high-density plasma for the development and maintenance of PCEs.

Oriented Polar Molecules in a Solid Inert-Gas Matrix: A Proposed Method for Measuring the Electric Dipole Moment of the Electron

Directory of Open Access Journals (Sweden)

A. C. Vutha

2018-01-01

Full Text Available We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the z ^ -direction by an applied electric field, as has recently been demonstrated by Park et al. The trapped molecules are prepared into a state that has its electron spin perpendicular to z ^ , and a magnetic field along z ^ causes precession of this spin. An electron electric dipole moment d e would affect this precession due to the up to 100 GV/cm effective electric field produced by the polar molecule. The large number of polar molecules that can be embedded in a matrix, along with the expected long coherence times for the precession, allows for the possibility of measuring d e to an accuracy that surpasses current measurements by many orders of magnitude. Because the matrix can inhibit molecular rotations and lock the orientation of the polar molecules, it may not be necessary to have an electric field present during the precession. The proposed technique can be applied using a variety of polar molecules and inert gases, which, along with other experimental variables, should allow for careful study of systematic uncertainties in the measurement.

Nuclear reactivity indices in the context of spin polarized density functional theory

International Nuclear Information System (INIS)

Cardenas, Carlos; Lamsabhi, Al Mokhtar; Fuentealba, Patricio

2006-01-01

In this work, the nuclear reactivity indices of density functional theory have been generalized to the spin polarized case and their relationship to electron spin polarized indices has been established. In particular, the spin polarized version of the nuclear Fukui function has been proposed and a finite difference approximation has been used to evaluate it. Applications to a series of triatomic molecules demonstrate the ability of the new functions to predict the geometrical changes due to a change in the spin multiplicity. The main equations in the different ensembles have also been presented

Density matrix embedding in an antisymmetrized geminal power bath

International Nuclear Information System (INIS)

Tsuchimochi, Takashi; Welborn, Matthew; Van Voorhis, Troy

2015-01-01

Density matrix embedding theory (DMET) has emerged as a powerful tool for performing wave function-in-wave function embedding for strongly correlated systems. In traditional DMET, an accurate calculation is performed on a small impurity embedded in a mean field bath. Here, we extend the original DMET equations to account for correlation in the bath via an antisymmetrized geminal power (AGP) wave function. The resulting formalism has a number of advantages. First, it allows one to properly treat the weak correlation limit of independent pairs, which DMET is unable to do with a mean-field bath. Second, it associates a size extensive correlation energy with a given density matrix (for the models tested), which AGP by itself is incapable of providing. Third, it provides a reasonable description of charge redistribution in strongly correlated but non-periodic systems. Thus, AGP-DMET appears to be a good starting point for describing electron correlation in molecules, which are aperiodic and possess both strong and weak electron correlation

Implementation of biological tissue Mueller matrix for polarization-sensitive optical coherence tomography based on LabVIEW

Science.gov (United States)

Lin, Yongping; Zhang, Xiyang; He, Youwu; Cai, Jianyong; Li, Hui

2018-02-01

The Jones matrix and the Mueller matrix are main tools to study polarization devices. The Mueller matrix can also be used for biological tissue research to get complete tissue properties, while the commercial optical coherence tomography system does not give relevant analysis function. Based on the LabVIEW, a near real time display method of Mueller matrix image of biological tissue is developed and it gives the corresponding phase retardant image simultaneously. A quarter-wave plate was placed at 45 in the sample arm. Experimental results of the two orthogonal channels show that the phase retardance based on incident light vector fixed mode and the Mueller matrix based on incident light vector dynamic mode can provide an effective analysis method of the existing system.

Global quantum discord and matrix product density operators

Science.gov (United States)

Huang, Hai-Lin; Cheng, Hong-Guang; Guo, Xiao; Zhang, Duo; Wu, Yuyin; Xu, Jian; Sun, Zhao-Yu

2018-06-01

In a previous study, we have proposed a procedure to study global quantum discord in 1D chains whose ground states are described by matrix product states [Z.-Y. Sun et al., Ann. Phys. 359, 115 (2015)]. In this paper, we show that with a very simple generalization, the procedure can be used to investigate quantum mixed states described by matrix product density operators, such as quantum chains at finite temperatures and 1D subchains in high-dimensional lattices. As an example, we study the global discord in the ground state of a 2D transverse-field Ising lattice, and pay our attention to the scaling behavior of global discord in 1D sub-chains of the lattice. We find that, for any strength of the magnetic field, global discord always shows a linear scaling behavior as the increase of the length of the sub-chains. In addition, global discord and the so-called "discord density" can be used to indicate the quantum phase transition in the model. Furthermore, based upon our numerical results, we make some reliable predictions about the scaling of global discord defined on the n × n sub-squares in the lattice.

Reduced density matrix embedding. General formalism and inter-domain correlation functional.

Science.gov (United States)

Pernal, Katarzyna

2016-08-03

An embedding method for a one-electron reduced density matrix (1-RDM) is proposed. It is based on partitioning of 1-RDM into domains and describing each domain in the effective potential of the other ones. To assure N-representability of the total 1-RDM N-representability and strong-orthogonality conditions are imposed on the domains. The total energy is given as a sum of single-domain energies and domain-domain electron interaction contributions. Higher than two-body inter-domain interaction terms are neglected. The two-body correlation terms are approximated by deriving inter-domain correlation from couplings of density fluctuations of two domains at a time. Unlike in most density embedding methods kinetic energy is treated exactly and it is not required that densities pertaining to the domains are only weakly overlapping. We propose to treat each domain by a corrected perfect-pairing functional. On a few examples it is shown that the embedding reduced density matrix functional method (ERDMF) yields excellent results for molecules that are well described by a single Lewis structure even if strong static intra-domain or dynamic inter-domain correlation effects must be accounted for.

The finite temperature density matrix and two-point correlations in the antiferromagnetic XXZ chain

Science.gov (United States)

Göhmann, Frank; Hasenclever, Nils P.; Seel, Alexander

2005-10-01

We derive finite temperature versions of integral formulae for the two-point correlation functions in the antiferromagnetic XXZ chain. The derivation is based on the summation of density matrix elements characterizing a finite chain segment of length m. On this occasion we also supply a proof of the basic integral formula for the density matrix presented in an earlier publication.

[Particle Size and Number Density Online Analysis for Particle Suspension with Polarization-Differentiation Elastic Light Scattering Spectroscopy].

Science.gov (United States)

Chen, Wei-kang; Fang, Hui

2016-03-01

The basic principle of polarization-differentiation elastic light scattering spectroscopy based techniques is that under the linear polarized light incidence, the singlely scattered light from the superficial biological tissue and diffusively scattered light from the deep tissue can be separated according to the difference of polarization characteristics. The novel point of the paper is to apply this method to the detection of particle suspension and, to realize the simultaneous measurement of its particle size and number density in its natural status. We design and build a coaxial cage optical system, and measure the backscatter signal at a specified angle from a polystyrene microsphere suspension. By controlling the polarization direction of incident light with a linear polarizer and adjusting the polarization direction of collected light with another linear polarizer, we obtain the parallel polarized elastic light scattering spectrum and cross polarized elastic light scattering spectrum. The difference between the two is the differential polarized elastic light scattering spectrum which include only the single scattering information of the particles. We thus compare this spectrum to the Mie scattering calculation and extract the particle size. We then also analyze the cross polarized elastic light scattering spectrum by applying the particle size already extracted. The analysis is based on the approximate expressions taking account of light diffusing, from which we are able to obtain the number density of the particle suspension. We compare our experimental outcomes with the manufacturer-provided values and further analyze the influence of the particle diameter standard deviation on the number density extraction, by which we finally verify the experimental method. The potential applications of the method include the on-line particle quality monitoring for particle manufacture as well as the fat and protein density detection of milk products.

Oriented Polar Molecules in a Solid Inert-Gas Matrix: A Proposed Method for Measuring the Electric Dipole Moment of the Electron

Science.gov (United States)

Vutha, A.; Horbatsch, M.; Hessels, E.

2018-01-01

We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the $\\hat{\\rm{z}}$ direction by an applied electric field, as has recently been demonstrated by Park, et al. [Angewandte Chemie {\\bf 129}, 1066 (2017)]. The trapped molecules are prepared into a state which has its electron spin perpendicular to $\\hat{\\rm{z}}$, and a magnetic field along $\\hat{\\rm{z}}$ causes precession of this spin. An electron electric dipole moment $d_e$ would affect this precession due to the up to 100~GV/cm effective electric field produced by the polar molecule. The large number of polar molecules that can be embedded in a matrix, along with the expected long coherence times for the precession, allows for the possibility of measuring $d_e$ to an accuracy that surpasses current measurements by many orders of magnitude. Because the matrix can inhibit molecular rotations and lock the orientation of the polar molecules, it may not be necessary to have an electric field present during the precession. The proposed technique can be applied using a variety of polar molecules and inert gases, which, along with other experimental variables, should allow for careful study of systematic uncertainties in the measurement.

POLARIZED LINE FORMATION WITH LOWER-LEVEL POLARIZATION AND PARTIAL FREQUENCY REDISTRIBUTION

Energy Technology Data Exchange (ETDEWEB)

Supriya, H. D.; Sampoorna, M.; Nagendra, K. N.; Ravindra, B. [Indian Institute of Astrophysics, Bangalore 560034 (India); Stenflo, J. O. [Institute of Astronomy, ETH Zurich, CH-8093 Zurich (Switzerland)

2016-09-10

In the well-established theories of polarized line formation with partial frequency redistribution (PRD) for a two-level and two-term atom, it is generally assumed that the lower level of the scattering transition is unpolarized. However, the existence of unexplained spectral features in some lines of the Second Solar Spectrum points toward a need to relax this assumption. There exists a density matrix theory that accounts for the polarization of all the atomic levels, but it is based on the flat-spectrum approximation (corresponding to complete frequency redistribution). In the present paper we propose a numerical algorithm to solve the problem of polarized line formation in magnetized media, which includes both the effects of PRD and the lower level polarization (LLP) for a two-level atom. First we derive a collisionless redistribution matrix that includes the combined effects of the PRD and the LLP. We then solve the relevant transfer equation using a two-stage approach. For illustration purposes, we consider two case studies in the non-magnetic regime, namely, the J {sub a} = 1, J {sub b} = 0 and J {sub a} = J {sub b} = 1, where J {sub a} and J {sub b} represent the total angular momentum quantum numbers of the lower and upper states, respectively. Our studies show that the effects of LLP are significant only in the line core. This leads us to propose a simplified numerical approach to solve the concerned radiative transfer problem.

Absolute atomic hydrogen density distribution in a hollow cathode discharge by two-photon polarization spectroscopy

International Nuclear Information System (INIS)

Gonzalo, A B; Rosa, M I de la; Perez, C; Mar, S; Gruetzmacher, K

2004-01-01

We report on quantitative measurements of ground-state atomic hydrogen densities in a stationary plasma far off thermodynamic equilibrium, generated in a hollow cathode discharge, by two-photon polarization spectroscopy via the 1S-2S transition. Absolute densities are obtained using a well established calibration method based on the non-resonant two-photon polarization signal of xenon gas at room temperature, which serves as the reference at the wavelength of the hydrogen transition. This study is dedicated to demonstrating the capability of two-photon polarization spectroscopy close to the detection limit. Therefore, it requires single-longitudinal mode UV-laser radiation provided by an advanced UV-laser spectrometer

Density matrix renormalization group with efficient dynamical electron correlation through range separation

DEFF Research Database (Denmark)

Hedegård, Erik D.; Knecht, Stefan; Kielberg, Jesper Skau

2015-01-01

We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electroncorrelation...... effects in multiconfigurational electronic structure problems....

The density matrix - The story of a failed transfer

Energy Technology Data Exchange (ETDEWEB)

Blum, Alexander [MPI fuer Wissenschaftsgeschichte, Berlin (Germany)

2013-07-01

With the discovery of the positron in 1933, Paul Dirac (along with most other physicists) was forced to really take seriously his earlier suggestion that in the world as we know it all negative energy states are occupied and we are thus surrounded by an infinite sea of electrons. What was needed was a way to treat this large number of electrons in a manageable fashion. Dirac resorted to the use of the density matrix, a technique he had earlier used to describe the large number of electrons in complex atoms. Initially, this transfer from atomic physics to what we would nowadays call particle physics was quite successful, and for a few years the density matrix was the state of the art in describing the Dirac electron sea, but then rapidly fell out of favor. I investigate the causes of this ultimately failed transfer and how it relates to changes in the physical notion of the vacuum, changes which eventually eliminated the analogy on which the transfer had been based in the first place.

A novel matrix approach for controlling the invariant densities of chaotic maps

International Nuclear Information System (INIS)

Rogers, Alan; Shorten, Robert; Heffernan, Daniel M.

2008-01-01

Recent work on positive matrices has resulted in a new matrix method for generating chaotic maps with arbitrary piecewise constant invariant densities, sometimes known as the inverse Frobenius-Perron problem (IFPP). In this paper, we give an extensive introduction to the IFPP, describing existing methods for solving it, and we describe our new matrix approach for solving the IFPP

Effect of Beam Scanning on Target Polarization Scattering Matrix Observed by Fully Polarimetric Phased-array Radar

Directory of Open Access Journals (Sweden)

Li Mianquan

2016-04-01

Full Text Available The polarization feature of a fully Polarimetric Phased-Array Radar (PPAR antenna varies according to the beam-scanning angle, thereby introducing two problems on the target Polarization Scattering Matrix (PSM measurement. First, the antenna polarization basis is defined within the vertical cross-section of an electromagnetic wave propagation direction, and the polarization basis of each beam direction angle is not identical, resulting in the PSM of a fixed-posture target observed by PPAR being not identical for different beam-scanning angles. Second, the cross polarization of the PPAR antenna increases with increasing beamscanning angle, resulting in a crosstalk among the elements of PSM observed by PPAR. This study focuses on the analysis of the abovementioned two aspects of the effect of beam scanning on target PSM observed by PPAR. The results will establish a more accurate observation of the equation for the precision PSM measurement of PPAR.

Effects of polarity, hydrophobicity, and density of ionic liquids on cellulose solubility.

Science.gov (United States)

Abe, Mitsuru; Kuroda, Kosuke; Sato, Daiki; Kunimura, Haruhito; Ohno, Hiroyuki

2015-12-28

We have synthesised novel ionic liquids (ILs) to show both cellulose dissolution ability and LCST-type phase transition after mixing with water. To realise both polar and hydrophobic properties, tetraalkylphosphonium cations and a series of carboxylate anions were employed to assume hydrophobic and highly polar properties, respectively. Effects of their alkyl chain length on the water compatibility and cellulose solubility of the corresponding ILs were systematically examined. We succeeded in synthesising novel ILs which dissolve cellulose and separable with water at moderate temperature. Through the present study, we have clarified that not only polarity but also density of ILs is an important factor in designing the ILs for cellulose dissolution.

Orientation of nuclei excited by polarized neutrons

International Nuclear Information System (INIS)

Lifshits, E.P.

1986-01-01

Polarization and radiation angular distribution of oriented nuclei in inelastic scattering of polarized neutrons were investigated. Nucleus orientation in the final state was described by polarization density matrix (PDM). If PDM is known, angular distributions, linear and circular polarization of γ-quanta emitted by a nucleus can be determined. Analytical expression for PDM, conditions of its diagonalization in the case of direct nucleus excitation and excitation by the stage of compound nucleus were obtained. Orientation of 12 C nuclei in the excited state 4.439 MeV, 2 + at energy of incident neutrons in the laboratory system from 4.8 MeV (excitation threshold) upt to 9 MeV was calculated as an example. Neutrons in initial state are completely polarized along Z axis. Calculations showed that excitation proceeds mainly by the stage of compound nucleus formation and 12 C nucleus is highly polarized in excited state

Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets

Science.gov (United States)

Zhang, Xing; Carter, Emily A.

2018-01-01

We revisit the static response function-based Kohn-Sham (KS) inversion procedure for determining the KS effective potential that corresponds to a given target electron density within finite atomic orbital basis sets. Instead of expanding the potential in an auxiliary basis set, we directly update the potential in its matrix representation. Through numerical examples, we show that the reconstructed density rapidly converges to the target density. Preliminary results are presented to illustrate the possibility of obtaining a local potential in real space from the optimized potential in its matrix representation. We have further applied this matrix-based KS inversion approach to density functional embedding theory. A proof-of-concept study of a solvated proton transfer reaction demonstrates the method's promise.

Snapshot Mueller matrix polarimetry by wavelength polarization coding and application to the study of switching dynamics in a ferroelectric liquid crystal cell.

Directory of Open Access Journals (Sweden)

Le Jeune B.

2010-06-01

Full Text Available This paper describes a snapshot Mueller matrix polarimeter by wavelength polarization coding. This device is aimed at encoding polarization states in the spectral domain through use of a broadband source and high-order retarders. This allows one to measure a full Mueller matrix from a single spectrum whose acquisition time only depends on the detection system aperture. The theoretical fundamentals of this technique are developed prior to validation by experiments. The setup calibration is described as well as optimization and stabilization procedures. Then, it is used to study, by time-resolved Mueller matrix polarimetry, the switching dynamics in a ferroelectric liquid crystal cell.

Penile density and globally used chemicals in Canadian and Greenland polar bears

DEFF Research Database (Denmark)

Sonne, Christian; Dyck, Markus; Rigét, Frank F.

2015-01-01

-range dispersed and to biomagnify to very high concentrations in the tissues of Arctic apex predators such as polar bears (Ursus maritimus). A major concern relating to EDCs is their effects on vital organ-tissues such as bone and it is possible that EDCs represent a more serious challenge to the species......' survival than the more conventionally proposed prey reductions linked to climate change. We therefore analyzed penile bone mineral density (BMD) as a key phenotype for reproductive success in 279 polar bear samples born 1990-2000 representing eight polar bear subpopulations. Since EDC concentrations were...... not available from the same specimens, we compared BMD with published literature information on EDC concentrations. Latitudinal and longitudinal BMD and EDC gradients were clearly observed, with Western Hudson bears having the highest BMD and lowest EDCs, and North East Greenland polar bears carrying the lowest...

A density matrix renormalization group study of low-lying excitations ...

Indian Academy of Sciences (India)

Symmetrized density-matrix-renormalization-group calculations have been carried out, within Pariser-Parr-Pople Hamiltonian, to explore the nature of the ground and low-lying excited states of long polythiophene oligomers. We have exploited 2 symmetry and spin parity of the system to obtain excited states of ...

Density Fluctuations in a Polar Coronal Hole

Science.gov (United States)

Hahn, Michael; D’Huys, Elke; Savin, Daniel Wolf

2018-06-01

We have measured the root-mean-square (rms) amplitude of intensity fluctuations, ΔI, in plume and interplume regions of a polar coronal hole. These intensity fluctuations correspond to density fluctuations. Using data from the Sun Watcher using the Active Pixel System detector and Image Processing on the Project for Onboard Autonomy (Proba2), our results extend up to a height of about 1.35 R ⊙. One advantage of the rms analysis is that it does not rely on a detailed evaluation of the power spectrum, which is limited by noise levels to low heights in the corona. The rms approach can be performed up to larger heights where the noise level is greater, provided that the noise itself can be quantified. At low heights, both the absolute ΔI, and the amplitude relative to the mean intensity, ΔI/I, decrease with height. However, starting at about 1.2 R ⊙, ΔI/I increases, reaching 20%–40% by 1.35 R ⊙. This corresponds to density fluctuations of Δn e/n e ≈ 10%–20%. The increasing relative amplitude implies that the density fluctuations are generated in the corona itself. One possibility is that the density fluctuations are generated by an instability of Alfvén waves. This generation mechanism is consistent with some theoretical models and with observations of Alfvén wave amplitudes in coronal holes. Although we find that the energy of the observed density fluctuations is small, these fluctuations are likely to play an important indirect role in coronal heating by promoting the reflection of Alfvén waves and driving turbulence.

A New Method for Simulating Power Flow Density Focused by a Silicon Lens Antenna Irradiated with Linearly Polarized THz Wave

Directory of Open Access Journals (Sweden)

Catur Apriono

2015-08-01

Full Text Available A terahertz system uses dielectric lens antennas for focusing and collimating beams of terahertz wave radiation. Linearly polarized terahertz wave radiation has been widely applied in the terahertz system. Therefore, an accurate method for analyzing the power flow density in the dielectric lens antenna irradiated with the linearly polarized terahertz wave radiation is important to design the terahertz systems. In optics, ray-tracing method has been used to calculate the power flow density by a number density of rays. In this study, we propose a method of ray-tracing combined with Fresnel’s transmission, including transmittance and polarization of the terahertz wave radiation to calculate power flow density in a Silicon lens antenna. We compare power flow density calculated by the proposed method with the regular ray-tracing method. When the Silicon lens antenna is irradiated with linearly polarized terahertz wave radiation, the proposed method calculates the power flow density more accurately than the regular ray-tracing.

Development and application of a density dependent matrix ...

Science.gov (United States)

Ranging along the Atlantic coast from US Florida to the Maritime Provinces of Canada, the Atlantic killifish (Fundulus heteroclitus) is an important and well-studied model organism for understanding the effects of pollutants and other stressors in estuarine and marine ecosystems. Matrix population models are useful tools for ecological risk assessment because they integrate effects across the life cycle, provide a linkage between endpoints observed in the individual and ecological risk to the population as a whole, and project outcomes for many generations in the future. We developed a density dependent matrix population model for Atlantic killifish by modifying a model developed for fathead minnow (Pimephales promelas) that has proved to be extremely useful, e.g. to incorporate data from laboratory studies and project effects of endocrine disrupting chemicals. We developed a size-structured model (as opposed to one that is based upon developmental stages or age class structure) so that we could readily incorporate output from a Dynamic Energy Budget (DEB) model, currently under development. Due to a lack of sufficient data to accurately define killifish responses to density dependence, we tested a number of scenarios realistic for other fish species in order to demonstrate the outcome of including this ecologically important factor. We applied the model using published data for killifish exposed to dioxin-like compounds, and compared our results to those using

The evolution of tensor polarization

International Nuclear Information System (INIS)

Huang, H.; Lee, S.Y.; Ratner, L.

1993-01-01

By using the equation of motion for the vector polarization, the spin transfer matrix for spin tensor polarization, the spin transfer matrix for spin tensor polarization is derived. The evolution equation for the tensor polarization is studied in the presence of an isolate spin resonance and in the presence of a spin rotor, or snake

Homocomposites of chopped fluorinated polyethylene fiber with low-density polyethylene matrix

International Nuclear Information System (INIS)

Maity, J.; Jacob, C.; Das, C.K.; Alam, S.; Singh, R.P.

2008-01-01

Conventional composites are generally prepared by adding reinforcing agent to a matrix and the matrix wherein the reinforcing agents are different in chemical composition with the later having superior mechanical properties. This work presents the preparation and properties of homocomposites consisting of a low-density polyethylene (LDPE) matrix and an ultra high molecular weight polyethylene (UHMWPE) fiber reinforcing phase. Direct fluorination is an important surface modification process by which only a thin upper layer is modified, the bulk properties of the polymer remaining unchanged. In this work, surface fluorination of UHMWPE fiber was done and then fiber characterization was performed. It was observed that after fluorination the fiber surface became rough. Composites were then prepared using both fluorinated and non-fluorinated polyethylene fiber with a low-density polyethylene (LDPE) matrix to prepare single polymer composites. It was found that the thermal stability and mechanical properties were improved for fluorinated fiber composites. X-ray diffraction (XRD) analysis showed that the crystallinity of the composites increased and it is maximum for fluorinated fiber composites. Tensile strength (TS) and modulus also increased while elongation at break (EB) decreased for fiber composites and was a maximum for fluorinated fiber composites. Scanning electron microscopic analysis indicates that that the distribution of fiber into the matrix is homogeneous. It also indicates the better adhesion between the matrix and the reinforcing agent for modified fiber composites. We also did surface fluorination of the prepared composites and base polymer for knowing its application to different fields such as printability wettability, etc. To determine the various properties such as printability, wettability and adhesion properties, contact angle measurement was done. It was observed that the surface energies of surface modified composites and base polymer increases

Hardness and softness reactivity kernels within the spin-polarized density-functional theory

International Nuclear Information System (INIS)

Chamorro, Eduardo; De Proft, Frank; Geerlings, Paul

2005-01-01

Generalized hardness and softness reactivity kernels are defined within a spin-polarized density-functional theory (SP-DFT) conceptual framework. These quantities constitute the basis for the global, local (i.e., r-position dependent), and nonlocal (i.e., r and r ' -position dependents) indices devoted to the treatment of both charge-transfer and spin-polarization processes in such a reactivity framework. The exact relationships between these descriptors within a SP-DFT framework are derived and the implications for chemical reactivity in such context are outlined

Extending the range of real time density matrix renormalization group simulations

Science.gov (United States)

Kennes, D. M.; Karrasch, C.

2016-03-01

We discuss a few simple modifications to time-dependent density matrix renormalization group (DMRG) algorithms which allow to access larger time scales. We specifically aim at beginners and present practical aspects of how to implement these modifications within any standard matrix product state (MPS) based formulation of the method. Most importantly, we show how to 'combine' the Schrödinger and Heisenberg time evolutions of arbitrary pure states | ψ 〉 and operators A in the evaluation of 〈A〉ψ(t) = 〈 ψ | A(t) | ψ 〉 . This includes quantum quenches. The generalization to (non-)thermal mixed state dynamics 〈A〉ρ(t) =Tr [ ρA(t) ] induced by an initial density matrix ρ is straightforward. In the context of linear response (ground state or finite temperature T > 0) correlation functions, one can extend the simulation time by a factor of two by 'exploiting time translation invariance', which is efficiently implementable within MPS DMRG. We present a simple analytic argument for why a recently-introduced disentangler succeeds in reducing the effort of time-dependent simulations at T > 0. Finally, we advocate the python programming language as an elegant option for beginners to set up a DMRG code.

Spin polarization versus color–flavor locking in high-density quark matter

DEFF Research Database (Denmark)

Tsue, Yasuhiko; da Providência, João; Providência, Constança

2015-01-01

It is shown that spin polarization with respect to each flavor in three-flavor quark matter occurs instead of color–flavor locking at high baryon density by using the Nambu–Jona-Lasinio model with four-point tensor-type interaction. Also, it is indicated that the order of phase transition between...

Stationary solution of a time dependent density matrix formalism

International Nuclear Information System (INIS)

Tohyama, Mitsuru

1994-01-01

A stationary solution of a time-dependent density-matrix formalism, which is an extension of the time-dependent Hartree-Fock theory to include the effects of two-body correlations, is obtained for the Lipkin model hamiltonian, using an adiabatic treatment of the two-body interaction. It is found that the obtained result is a reasonable approximation for the exact solution of the model. (author)

Postsynaptic density protein 95 in the striosome and matrix compartments of the human neostriatum.

Directory of Open Access Journals (Sweden)

Ryoma eMorigaki

2015-11-01

Full Text Available The human neostriatum consists of two functional subdivisions referred to as the striosome (patch and matrix compartments. The striosome-matrix dopamine systems play a central role in cortico-thalamo-basal ganglia circuits, and their involvement is thought to underlie the genesis of multiple movement and behavioral disorders, and of drug addiction. Human neuropathology also has shown that striosomes and matrix have differential vulnerability patterns in several striatal neurodegenerative diseases. Postsynaptic density protein 95 (PSD-95, also known as DLG4, is a major scaffolding protein in the postsynaptic densities of dendritic spines. PSD-95 is now known to negatively regulate not only N-methyl-D-aspartate glutamate signaling, but also dopamine D1 signals at sites of postsynaptic transmission. Accordingly, a neuroprotective role for PSD-95 against dopamine D1 receptor (D1R-mediated neurotoxicity in striatal neurodegeneration also has been suggested. Here, we used a highly sensitive immunohistochemistry technique to show that in the human neostriatum, PSD-95 is differentially concentrated in the striosome and matrix compartments, with a higher density of PSD-95 labeling in the matrix compartment than in the striosomes. This compartment-specific distribution of PSD-95 was strikingly complementary to that of D1R. In addition to the possible involvement of PSD-95-mediated synaptic function in compartment-specific dopamine signals, we suggest that the striosomes might be more susceptible to D1R-mediated neurotoxicity than the matrix compartment. This notion may provide new insight into the compartment-specific vulnerability of MSNs in striatal neurodegeneration.

Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

Energy Technology Data Exchange (ETDEWEB)

Buecking, N

2007-11-05

In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

Spin density measurement of water-bridged Co-dimer using polarized neutrons

DEFF Research Database (Denmark)

Damgaard-Møller, Emil; Overgaard, Jacob; Chilton, Nick

present an experimentally determined spin density using polarized neutron diffraction in a simple water-bridged cobalt dimer [Co2(H2O)(piv)4(Hpiv)2(py)2] which is known to have a small ferromagnetic coupling between the spin centers. Visualizing the SDD could get us one step further in understanding...

Hyperfine electron-nuclear interactions in the frame of the Density Functional and of the Density Matrix Methods

International Nuclear Information System (INIS)

Pavlov, R.L.; Pavlov, L.I.; Raychev, P.P.; Garistov, V.P.; Dimitrova-Ivanovich, M.

2002-01-01

The matrix elements and expectation values of the hyperfine interaction operators are presented in a form suitable for numerical implementation in density matrix methods. The electron-nuclear spin-spin (dipolar and contact) interactions are considered, as well as the interaction between nuclear spin and electron-orbital motions. These interactions from the effective Breit-Pauli Hamiltonian determine the hyperfine structure in ESR spectra and contribute to chemical shifts in NMR. Applying the Wigner-Eckart theorem in the irreducible tensor-operator technique and the spin-space separation scheme, the matrix elements and expectation values of these relativistic corrections are expressed in analytical form. The final results are presented as products, or sums of products, of factors determined by the spin and (or) angular momentum symmetry and a spatial part determined by the action of the symmetrized tensor-operators on the normalized matrix or function of the spin or charge distribution.

Time dependent density matrix theory and effective interaction

Energy Technology Data Exchange (ETDEWEB)

Tohyama, Mitsuru [Kyorin Univ., Mitaka, Tokyo (Japan). School of Medicine

1998-07-01

A correlated ground state of {sup 16}O and an E2 giant resonance built on it are calculated using an extended version of the time-dependent Hartree-Fock theory called the time-dependent density-matrix theory (TDDM). The Skyrme force is used in the calculation of both a mean field and two-body correlations. It is found that TDDM gives reasonable ground-state correlations and a large spreading width of the E2 giant resonance when single-particle states in the continuum are treated appropriately. (author)

Correlated random-phase approximation from densities and in-medium matrix elements

Energy Technology Data Exchange (ETDEWEB)

Trippel, Richard; Roth, Robert [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany)

2016-07-01

The random-phase approximation (RPA) as well as the second RPA (SRPA) are established tools for the study of collective excitations in nuclei. Addressing the well known lack of correlations, we derived a universal framework for a fully correlated RPA based on the use of one- and two-body densities. We apply densities from coupled cluster theory and investigate the impact of correlations. As an alternative approach to correlations we use matrix elements transformed via in-medium similarity renormalization group (IM-SRG) in combination with RPA and SRPA. We find that within SRPA the use of IM-SRG matrix elements leads to the disappearance of instabilities of low-lying states. For the calculations we use normal-ordered two- plus three-body interactions derived from chiral effective field theory. We apply different Hamiltonians to a number of doubly-magic nuclei and calculate electric transition strengths.

Watching excitons move: the time-dependent transition density matrix

Science.gov (United States)

Ullrich, Carsten

2012-02-01

Time-dependent density-functional theory allows one to calculate excitation energies and the associated transition densities in principle exactly. The transition density matrix (TDM) provides additional information on electron-hole localization and coherence of specific excitations of the many-body system. We have extended the TDM concept into the real-time domain in order to visualize the excited-state dynamics in conjugated molecules. The time-dependent TDM is defined as an implicit density functional, and can be approximately obtained from the time-dependent Kohn-Sham orbitals. The quality of this approximation is assessed in simple model systems. A computational scheme for real molecular systems is presented: the time-dependent Kohn-Sham equations are solved with the OCTOPUS code and the time-dependent Kohn-Sham TDM is calculated using a spatial partitioning scheme. The method is applied to show in real time how locally created electron-hole pairs spread out over neighboring conjugated molecular chains. The coupling mechanism, electron-hole coherence, and the possibility of charge separation are discussed.

Fabrication, polarization, and characterization of PVDF matrix composites for integrated structural load sensing

International Nuclear Information System (INIS)

Haghiashtiani, Ghazaleh; Greminger, Michael A

2015-01-01

The focus of this work is to evaluate a new carbon fiber reinforced composite structure with integrated sensing capabilities. In this composite structure, the typical matrix material used for carbon fiber reinforced composites is replaced with the thermoplastic polyvinylidene difluoride (PVDF). Since PVDF has piezoelectric properties, it enables the structure to be used for integrated load sensing. In addition, the electrical conductivity property of the carbon fabric is harnessed to form the electrodes of the integrated sensor. In order to prevent the carbon fiber electrodes from shorting to each other, a thin Kevlar fabric layer is placed between the two carbon fiber electrode layers as a dielectric. The optimal polarization parameters were determined using a design of experiments approach. Once polarized, the samples were then used in compression and tensile tests to determine the effective d 33 and d 31 piezoelectric coefficients. The degree of polarization of the PVDF material was determined by relating the effective d 33 coefficient of the composite to the achieved d 33 of the PVDF component of the composite using a closed form expression. Using this approach, it was shown that optimal polarization of the composite material results in a PVDF component d 33 of 3.2 pC N −1 . Moreover, the Young’s modulus of the composite structure has been characterized. (paper)

Optical properties of polarization-dependent geometrical phase elements with partially polarized light

International Nuclear Information System (INIS)

Gorodetski, Y.; Biener, G.; Niv, A.; Kleiner, V.; Hasman, E.

2005-01-01

Full Text:The behavior of geometrical phase elements illuminated with partially polarized monochromatic beams is being theoretically as well as experimentally investigated. The element discussed in this paper is composed of wave plates with retardation and space-variant orientation angle. We found that a beam emerging from such an element comprises two polarization orders of right and left-handed circularly polarized states with conjugate geometrical phase modification. This phase equals twice the orientation angle of the space-variant wave plate comprising the element. Apart from the two polarization orders, the emerging beam coherence polarization matrix comprises a matrix termed as the vectorial interference matrix. This matrix contains the information concerning the correlation between the two orthogonal circularly polarized portions of the incident beam. In this paper we measure this correlation by a simple interference experiment. Furthermore, we found that the equivalent mutual intensity of the emerging beam is being modulated according to the geometrical phase induced by the element. Other interesting phenomena along propagation will be discussed theoretically and experimentally demonstrated. We demonstrate experimentally our analysis by using a spherical geometrical phase element, which is realized by use of space-variant sub wavelength grating and illuminated with a CO 2 laser radiation of 10.6μm wavelength

The planar cell polarity protein VANGL2 coordinates remodeling of the extracellular matrix.

Science.gov (United States)

Williams, B Blairanne; Mundell, Nathan; Dunlap, Julie; Jessen, Jason

2012-07-01

Understanding how planar cell polarity (PCP) is established, maintained, and coordinated in migrating cell populations is an important area of research with implications for both embryonic morphogenesis and tumor cell invasion. We recently reported that the PCP protein Vang-like 2 (VANGL2) regulates the endocytosis and cell surface level of membrane type-1 matrix metalloproteinase (MMP14 or MT1-MMP). Here, we further discuss these findings in terms of extracellular matrix (ECM) remodeling, cell migration, and zebrafish gastrulation. We also demonstrate that VANGL2 function impacts the focal degradation of ECM by human cancer cells including the formation or stability of invadopodia. Together, our findings implicate MMP14 as a downstream effector of VANGL2 signaling and suggest a model whereby the regulation of pericellular proteolysis is a fundamental aspect of PCP in migrating cells.

On Combining High and Low Q2 Information on the Polarized Parton Densities

International Nuclear Information System (INIS)

Leader, Elliot; Stamenov, Dimiter B.

2000-01-01

We draw attention to some problems in the combined use of high-Q 2 deep inelastic scattering (DIS) data and low-Q 2 hyperon β-decay data in the determination of the polarized parton densities. We explain why factorization schemes like the JET or AB schemes are the simplest in which to study the implications of the DIS parton densities for the physics of the low-Q 2 region. (author)

Thermostatic properties of semi-infinite polarized nuclear matter

International Nuclear Information System (INIS)

Abd-Alla, M.; Hassan, M.Y.M.; Ramadan, S.

1988-03-01

The surface and curvature properties of semi-infinite polarized nuclear matter (SPNM) are calculated using an expansion for the Fermi integrals up to T 2 . A density matrix expansion is obtained for a modified form of Seyler-Blanchard interaction. New parameters that characterize the surface and curvature properties of SPNM are introduced. The level density parameter is extracted from the low temperature expansion of the free energy and compared with previous calculations. A reasonable agreement is obtained for the parameters calculated before. (author). 78 refs, 1 fig., 5 tabs

Relativistic density matrix in the diagonal momentum representation. Bose-gas

International Nuclear Information System (INIS)

Makhlin, A.N.; Sinyukov, Yu.M.

1984-01-01

The relativistic-invariance treatment of the ideal Bose-system arising from the diagonal momentum representation for the density matrix is developed. The average occupation members and their correlators for statistical systems in arbitrary inertial frames are found on the equal-time hypersurfaces. The relativistic partition function method for the calculation of thermodynamic properties of gases moving as a whole is constructed

Development of an polarization sensitive Fourier domain optical coherence tomography and it utilization on the Mueller matrix determination

International Nuclear Information System (INIS)

Raele, Marcus Paulo

2009-01-01

This study approached theoretical and experimental aspects related with the development of a polarization sensitive, Fourier domain, optical coherence tomography system (PS-FD-OCT) and its utilization on the Mueller Matrix determination. This work began with a bibliographic revision, which describes since the early studies to the actual state of the art of the technique. The mathematical formalism of Fourier domain low coherence interferometry and light polarization was performed as well. Studies based on numerical simulations, of three different algorithm types, responsible to recover the scattering profile, were done. The implemented algorithms were: Direct Fourier Transform, Interpolation and zero-filling. By the end of the simulation study, was possible to conclude that the algorithm zero-filling 2N presented better characteristics when compared with the others. In the experimental part, firstly different OCT setups were assembled and measurements were done in order to verify aspects related with the theory. Then, using a polymeric sample, birefringence images were performed, which allowed determining the sample birefringence quantitatively. Finally, images taken of different polarization states were collected, and through then images related with the Mueller Matrix elements were calculated, which were analyzed individually. (author)

Development of high-polarization Fe/Ge neutron polarizing supermirror: Possibility of fine-tuning of scattering length density in ion beam sputtering

Science.gov (United States)

Maruyama, R.; Yamazaki, D.; Akutsu, K.; Hanashima, T.; Miyata, N.; Aoki, H.; Takeda, M.; Soyama, K.

2018-04-01

The multilayer structure of Fe/Si and Fe/Ge systems fabricated by ion beam sputtering (IBS) was investigated using X-ray and polarized neutron reflectivity measurements and scanning transmission electron microscopy with energy-dispersive X-ray analysis. The obtained result revealed that the incorporation of sputtering gas particles (Ar) in the Ge layer gives rise to a marked reduction in the neutron scattering length density (SLD) and contributes to the SLD contrast between the Fe and Ge layers almost vanishing for spin-down neutrons. Bundesmann et al. (2015) have shown that the implantation of primary Ar ions backscattered at the target is responsible for the incorporation of Ar particles and that the fraction increases with increasing ion incidence angle and increasing polar emission angle. This leads to a possibility of fine-tuning of the SLD for the IBS, which is required to realize a high polarization efficiency of a neutron polarizing supermirror. Fe/Ge polarizing supermirror with m = 5 fabricated under the same condition showed a spin-up reflectivity of 0.70 at the critical momentum transfer. The polarization was higher than 0.985 for the qz range where the correction for the polarization inefficiencies of the beamline works properly. The result of the polarized neutron reflectivity measurement suggests that the "magnetically-dead" layers formed at both sides of the Fe layer, together with the SLD contrast, play a critical role in determining the polarization performance of a polarizing supermirror.

Orbital functionals in density-matrix- and current-density-functional theory

Energy Technology Data Exchange (ETDEWEB)

Helbig, N

2006-05-15

Density-Functional Theory (DFT), although widely used and very successful in the calculation of several observables, fails to correctly describe strongly correlated materials. In the first part of this work we, therefore, introduce reduced-densitymatrix- functional theory (RDMFT) which is one possible way to treat electron correlation beyond DFT. Within this theory the one-body reduced density matrix (1- RDM) is used as the basic variable. Our main interest is the calculation of the fundamental gap which proves very problematic within DFT. In order to calculate the fundamental gap we generalize RDMFT to fractional particle numbers M by describing the system as an ensemble of an N and an N+1 particle system (with N{<=}M{<=}N+1). For each fixed particle number, M, the total energy is minimized with respect to the natural orbitals and their occupation numbers. This leads to the total energy as a function of M. The derivative of this function with respect to the particle number has a discontinuity at integer particle number which is identical to the gap. In addition, we investigate the necessary and sufficient conditions for the 1- RDM of a system with fractional particle number to be N-representable. Numerical results are presented for alkali atoms, small molecules, and periodic systems. Another problem within DFT is the description of non-relativistic many-electron systems in the presence of magnetic fields. It requires the paramagnetic current density and the spin magnetization to be used as basic variables besides the electron density. However, electron-gas-based functionals of current-spin-density-functional Theory (CSDFT) exhibit derivative discontinuities as a function of the magnetic field whenever a new Landau level is occupied, which makes them difficult to use in practice. Since the appearance of Landau levels is, intrinsically, an orbital effect it is appealing to use orbital-dependent functionals. We have developed a CSDFT version of the optimized

Clean-up and matrix effect in LC-MS/MS analysis of food of plant origin for high polar herbicides.

Science.gov (United States)

Kaczyński, Piotr

2017-09-01

This study reports an innovative and sensitive procedure for analysis of difficult high polar herbicides (HPH) in diverse foods of plant origin. The QuPPe (Quick Polar Pesticides) method followed by determination by LC-MS/MS was modified. Chromatographic conditions, extraction, clean-up, and matrix effect were studied. Several liquid chromatography stationary and mobile phases were evaluated, and it was found that hydrophilic interaction chromatography (HILIC) gives good retention and sensitivity. An acidified methanol-water mixture was used as an effective extraction solvent of eleven HPH. Dispersive solid-phase clean-up sorbents (C18, GCB, Florisil, chitosan and graphene) were evaluated. The efficiency of the method was examined using data on recovery, precision and matrix effects. High extraction yields were achieved, and recoveries were within the 64-97% range with relative standard deviations <20% for all HPH in all commodities. Low matrix effects were observed when graphene was used during clean-up of onion extract and when chitosan was used for wheat, potato and pea extract. Copyright © 2017 Elsevier Ltd. All rights reserved.

Extracellular Matrix components regulate cellular polarity and tissue structure in the developing and mature Retina

Directory of Open Access Journals (Sweden)

Shweta Varshney

2015-01-01

Full Text Available While genetic networks and other intrinsic mechanisms regulate much of retinal development, interactions with the extracellular environment shape these networks and modify their output. The present review has focused on the role of one family of extracellular matrix molecules and their signaling pathways in retinal development. In addition to their effects on the developing retina, laminins play a role in maintaining Müller cell polarity and compartmentalization, thereby contributing to retinal homeostasis. This article which is intended for the clinical audience, reviews the fundamentals of retinal development, extracellular matrix organization and the role of laminins in retinal development. The role of laminin in cortical development is also briefly discussed.

Spin observables in p-barp → ΛΛ and density-matrix constraints

International Nuclear Information System (INIS)

Elchikh, Mokhtar; Richard, Jean-Marc

2005-01-01

The positivity conditions of the spin density matrix constrain the spin observables of the reaction p-barp → Λ-barΛ, leading to model-independent, non-trivial inequalities. The formalism is briefly presented and examples of inequalities are provided

Polarized coincidence electroproduction

International Nuclear Information System (INIS)

Heimann, R.L.

1975-03-01

A study is made of the inclusive electroproduction of single hadrons off a polarized target. Bjorken scaling laws and the hadron azimuthal distribution are derived from the quark parton model. The polarization asymmetries scale when the target spin is along the direction of the virtual photon, and (apart from significant exception) vanish for transverse spin. These results have a simple explanation; emphasis is given both to the general mathematical formalism and to intuitive physical reasoning. Through this framework other cases are considered: quarks with anomalous magnetic moment; renormalization group effects and asymptotic freedom; production of vector mesons (whose spin state is analysed by their decay); relation to large transverse momentum hadron production; and a covariant parton model calculation. Spin 0 partons and Regge singularities are also considered. All of these cases (apart from the last two) modify the pattern of conclusions. Vector meson production shows polarization enhancements in the density matrix element rhosub(0+); the renormalization group approach does not lead to any significant suppressions. They are also less severe in parton models for large Psub(T) hadrons, and are not supported by the covariantly formulated calculation. The origins of these differences are isolated and used to exemplify the sensitivity polarized hadron electroproduction has to delicate detail that is otherwise concealed. (author)

Many-body localization from one particle density matrix

Energy Technology Data Exchange (ETDEWEB)

Bera, Soumya; Bardarson, Jens [Max Planck Institute for the Physics of Complex Systems, Dresden (Germany); Schomerus, Henning [Lancaster University, Lancaster (United Kingdom); Heidrich-Meisner, Fabian [Ludwig-Maximilians-Universitaet Muenchen (Germany)

2016-07-01

We show that the one-particle density matrix ρ can be used to characterize the interaction-driven many-body localization transition in isolated fermionic systems. The natural orbitals (the eigenstates) are localized in the many-body localized phase and spread out when one enters the delocalized phase, while the occupation spectrum (the set of eigenvalues) reveals the distinctive Fock- space structure of the many-body eigenstates, exhibiting a step-like discontinuity in the localized phase. The associated one-particle occupation entropy is small in the localized phase and large in the delocalized phase, with diverging fluctuations at the transition.

Impact of band structure and transition matrix elements on polarization properties of the photoluminescence of semipolar and nonpolar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Schade, L.; Schwarz, U.T. [Department of Microsystems Engineering, University of Freiburg, Georges-Koehler-Allee 103, 79108 Freiburg (Germany); Fraunhofer Institute for Applied Solid State Physics (IAF), Tullastrasse 72, 79108 Freiburg (Germany); Wernicke, T. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Weyers, M. [Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany); Kneissl, M. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany)

2011-03-15

Partial or full linear polarization is characteristic for the spontaneous emission of light from semipolar and nonpolar InGaN quantum wells. This property is an implication of the crystalline anisotropy as a basic property of the wurtzite structure. The influence of this anisotropy on the band structure and the transition matrix elements was calculated by a k.p-method for arbitrary quantum well orientations with respect to the c-axis; results are shown here in detail. Optical polarization is a direct consequence of a broken symmetry, mainly affecting the transition matrix elements from the conduction to the valence bands. Furthermore, the strain of the InGaN quantum well strongly depends on the crystal orientation of the substrate, resulting in a valence band mixing. The composition of the eigenfunctions has emerged to be most important for the polarization dependence of strained semipolar and nonpolar InGaN QW. The matrix elements, in combination with the thermal occupation of the bands, determine the polarization of the spontaneously emitted light. Our photoluminescence measurements of nonpolar QW match well with this model. However, in contrast to calculations with standard band parameters, the two topmost subbands show a larger separation in the emitted energy. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Relative Contribution of Matrix Structure, Patch Resources and Management to the Local Densities of Two Large Blue Butterfly Species.

Science.gov (United States)

Kajzer-Bonk, Joanna; Skórka, Piotr; Nowicki, Piotr; Bonk, Maciej; Król, Wiesław; Szpiłyk, Damian; Woyciechowski, Michal

2016-01-01

The type of matrix, the landscape surrounding habitat patches, may determine the distribution and function of local populations. However, the matrix is often heterogeneous, and its various components may differentially contribute to metapopulation processes at different spatial scales, a phenomenon that has rarely been investigated. The aim of this study was to estimate the relative importance of matrix composition and spatial scale, habitat quality, and management intensity on the occurrence and density of local populations of two endangered large blue butterflies: Phengaris teleius and P. nausithous. Presence and abundance data were assessed over two years, 2011-12, in 100 local patches within two heterogeneous regions (near Kraków and Tarnów, southern Poland). The matrix composition was analyzed at eight spatial scales. We observed high occupancy rates in both species, regions and years. With the exception of area and isolation, almost all of the matrix components contributed to Phengaris sp. densities. The different matrix components acted at different spatial scales (grassland cover within 4 and 3 km, field cover within 0.4 and 0.3 km and water cover within 4 km radii for P. teleius and P. nausithous, respectively) and provided the highest independent contribution to the butterfly densities. Additionally, the effects of a 0.4 km radius of forest cover and a food plant cover on P. teleius, and a 1 km radius of settlement cover and management intensity on P. nausithous densities were observed. Contrary to former studies we conclude that the matrix heterogeneity and spatial scale rather than general matrix type are of relevance for densities of butterflies. Conservation strategies for these umbrella species should concentrate on maintaining habitat quality and managing matrix composition at the most appropriate spatial scales.

Relative Contribution of Matrix Structure, Patch Resources and Management to the Local Densities of Two Large Blue Butterfly Species

Science.gov (United States)

Skórka, Piotr; Nowicki, Piotr; Bonk, Maciej; Król, Wiesław; Szpiłyk, Damian; Woyciechowski, Michal

2016-01-01

The type of matrix, the landscape surrounding habitat patches, may determine the distribution and function of local populations. However, the matrix is often heterogeneous, and its various components may differentially contribute to metapopulation processes at different spatial scales, a phenomenon that has rarely been investigated. The aim of this study was to estimate the relative importance of matrix composition and spatial scale, habitat quality, and management intensity on the occurrence and density of local populations of two endangered large blue butterflies: Phengaris teleius and P. nausithous. Presence and abundance data were assessed over two years, 2011–12, in 100 local patches within two heterogeneous regions (near Kraków and Tarnów, southern Poland). The matrix composition was analyzed at eight spatial scales. We observed high occupancy rates in both species, regions and years. With the exception of area and isolation, almost all of the matrix components contributed to Phengaris sp. densities. The different matrix components acted at different spatial scales (grassland cover within 4 and 3 km, field cover within 0.4 and 0.3 km and water cover within 4 km radii for P. teleius and P. nausithous, respectively) and provided the highest independent contribution to the butterfly densities. Additionally, the effects of a 0.4 km radius of forest cover and a food plant cover on P. teleius, and a 1 km radius of settlement cover and management intensity on P. nausithous densities were observed. Contrary to former studies we conclude that the matrix heterogeneity and spatial scale rather than general matrix type are of relevance for densities of butterflies. Conservation strategies for these umbrella species should concentrate on maintaining habitat quality and managing matrix composition at the most appropriate spatial scales. PMID:28005942

Evaluation of dual polarization scattering matrix radar rain backscatter measurements in the X- and Q-bands

Science.gov (United States)

Agrawal, A. P.; Carnegie, D. W.; Boerner, W.-M.

This paper presents an evaluation of polarimetric rain backscatter measurements collected with coherent dual polarization radar systems in the X (8.9 GHz) and Q (45GHz) bands, the first being operated in a pulsed mode and the second being a FM-CW system. The polarimetric measurement data consisted for each band of fifty files of time-sequential scattering matrix measurements expressed in terms of a linear (H, V) antenna polarization state basis. The rain backscattering takes place in a rain cell defined by the beam widths and down range distances of 275 ft through 325 ft and the scattering matrices were measured far below the hydrometeoric scattering center decorrelation time so that ensemble averaging of time-sequential scattering matrices may be applied. In the data evaluation great care was taken in determining: (1) polarimetric Doppler velocities associated with the motion of descending oscillating raindrops and/or eddies within the moving swaths of coastal rain showers, and (2) also the properties of the associated co/cross-polarization rain clutter nulls and their distributions on the Poincare polarization sphere.

Penile density and globally used chemicals in Canadian and Greenland polar bears.

Science.gov (United States)

Sonne, Christian; Dyck, Markus; Rigét, Frank F; Beck Jensen, Jens-Erik; Hyldstrup, Lars; Letcher, Robert J; Gustavson, Kim; Gilbert, M Thomas P; Dietz, Rune

2015-02-01

Industrially produced chemicals have been a major environmental concern across our entire Globe since the onset of rapid industrial development around the early 1900. Many of the substances being used are known to be endocrine disrupting chemicals (EDCs) and are also known to be long-range dispersed and to biomagnify to very high concentrations in the tissues of Arctic apex predators such as polar bears (Ursus maritimus). A major concern relating to EDCs is their effects on vital organ-tissues such as bone and it is possible that EDCs represent a more serious challenge to the species' survival than the more conventionally proposed prey reductions linked to climate change. We therefore analyzed penile bone mineral density (BMD) as a key phenotype for reproductive success in 279 polar bear samples born 1990-2000 representing eight polar bear subpopulations. Since EDC concentrations were not available from the same specimens, we compared BMD with published literature information on EDC concentrations. Latitudinal and longitudinal BMD and EDC gradients were clearly observed, with Western Hudson bears having the highest BMD and lowest EDCs, and North East Greenland polar bears carrying the lowest BMD and highest EDCs. A BMD vs. polychlorinated biphenyls (PCB) regression analysis showed that BMD decreased as a function of the eight subpopulations' PCB concentrations and this relationship was close to being significant (p=0.10, R(2)=0.39). Risk quotient (RQ) estimation demonstrated that PCBs could be in a range that may lead to disruption of normal reproduction and development. It is therefore likely that EDCs directly affect development and bone density in polar bears. Canadian bears had in general the best health and the North East Greenland subpopulation being at the highest risk of having negative health effects. While reductions in BMD is in general unhealthy, reductions in penile BMD could lead to increased risk of species extinction because of mating and subsequent

Quantum Crystallography: Density Matrix-Density Functional Theory and the X-Ray Diffraction Experiment

Science.gov (United States)

Soirat, Arnaud J. A.

Density Matrix Theory is a Quantum Mechanical formalism in which the wavefunction is eliminated and its role taken over by reduced density matrices. The interest of this is that, it allows one, in principle, to calculate any electronic property of a physical system, without having to solve the Schrodinger equation, using only two entities much simpler than an N-body wavefunction: first and second -order reduced density matrices. In practice, though, this very promising possibility faces the tremendous theoretical problem of N-representability, which has been solved for the former, but, until now, voids any hope of theoretically determining the latter. However, it has been shown that single determinant reduced density matrices of any order may be recovered from coherent X-ray diffraction data, if one provides a proper Quantum Mechanical description of the Crystallography experiment. A deeper investigation of this method is the purpose of this work, where we, first, further study the calculation of X-ray reduced density matrices N-representable by a single Slater determinant. In this context, we independently derive necessary and sufficient conditions for the uniqueness of the method. We then show how to account for electron correlation in this model. For the first time, indeed, we derive highly accurate, yet practical, density matrices approximately N-representable by correlated-determinant wavefunctions. The interest of such a result lies in the Quantum Mechanical validity of these density matrices, their property of being entirely obtainable from X-ray coherent diffraction data, their very high accuracy conferred by this known property of the N-representing wavefunction, as well as their definition as explicit functionals of the density. All of these properties are finally used in both a theoretical and a numerical application: in the former, we show that these density matrices may be used in the context of Density Functional Theory to highly accurately determine

Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities

International Nuclear Information System (INIS)

March, N.H.

2006-08-01

A differential equation for the Dirac density matrix γ(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that γ ≡ γ[ρ, t g ] where ρ and t g are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important byproduct of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (author)

A simplified density matrix minimization for linear scaling self-consistent field theory

International Nuclear Information System (INIS)

Challacombe, M.

1999-01-01

A simplified version of the Li, Nunes and Vanderbilt [Phys. Rev. B 47, 10891 (1993)] and Daw [Phys. Rev. B 47, 10895 (1993)] density matrix minimization is introduced that requires four fewer matrix multiplies per minimization step relative to previous formulations. The simplified method also exhibits superior convergence properties, such that the bulk of the work may be shifted to the quadratically convergent McWeeny purification, which brings the density matrix to idempotency. Both orthogonal and nonorthogonal versions are derived. The AINV algorithm of Benzi, Meyer, and Tuma [SIAM J. Sci. Comp. 17, 1135 (1996)] is introduced to linear scaling electronic structure theory, and found to be essential in transformations between orthogonal and nonorthogonal representations. These methods have been developed with an atom-blocked sparse matrix algebra that achieves sustained megafloating point operations per second rates as high as 50% of theoretical, and implemented in the MondoSCF suite of linear scaling SCF programs. For the first time, linear scaling Hartree - Fock theory is demonstrated with three-dimensional systems, including water clusters and estane polymers. The nonorthogonal minimization is shown to be uncompetitive with minimization in an orthonormal representation. An early onset of linear scaling is found for both minimal and double zeta basis sets, and crossovers with a highly optimized eigensolver are achieved. Calculations with up to 6000 basis functions are reported. The scaling of errors with system size is investigated for various levels of approximation. copyright 1999 American Institute of Physics

Reduced one-body density matrix of Tonks–Girardeau gas at finite temperature

International Nuclear Information System (INIS)

Fu Xiao-Chen; Hao Ya-Jiang

2015-01-01

With thermal Bose–Fermi mapping method, we investigate the Tonks–Girardeau gas at finite temperature. It is shown that at low temperature, the Tonks gas displays the Fermi-like density profiles, and with the increase in temperature, the Tonks gas distributes in wider region. The reduced one-body density matrix is diagonal dominant in the whole temperature region, and the off-diagonal elements shall vanish rapidly with the deviation from the diagonal part at high temperature. (paper)

Time-dependent occupation numbers in reduced-density-matrix-functional theory: Application to an interacting Landau-Zener model

International Nuclear Information System (INIS)

Requist, Ryan; Pankratov, Oleg

2011-01-01

We prove that if the two-body terms in the equation of motion for the one-body reduced density matrix are approximated by ground-state functionals, the eigenvalues of the one-body reduced density matrix (occupation numbers) remain constant in time. This deficiency is related to the inability of such an approximation to account for relative phases in the two-body reduced density matrix. We derive an exact differential equation giving the functional dependence of these phases in an interacting Landau-Zener model and study their behavior in short- and long-time regimes. The phases undergo resonances whenever the occupation numbers approach the boundaries of the interval [0,1]. In the long-time regime, the occupation numbers display correlation-induced oscillations and the memory dependence of the functionals assumes a simple form.

Application of the Ursell-Mayer method in the theory of spin-polarized atomic hydrogen

International Nuclear Information System (INIS)

Kilic, S.; Radelja, T.

1981-01-01

Employing the Ursell-Mayer method and Ljolje semi-free gas model analytic relations describing ground state properties (energy, pressure, compressibility, sound velocity, radial distribution function and one-particle density matrix) of spin-polarized atomic hydrogen were derived. The expressions are valid up to density 2 10 26 atoms/m 3 . It was found out that at density of 2 10 26 atoms/m 3 the condensation of particle in momentum space is 88% (at absolute zero). (orig.)

From Real Materials to Model Hamiltonians With Density Matrix Downfolding

Directory of Open Access Journals (Sweden)

Huihuo Zheng

2018-05-01

Full Text Available Due to advances in computer hardware and new algorithms, it is now possible to perform highly accurate many-body simulations of realistic materials with all their intrinsic complications. The success of these simulations leaves us with a conundrum: how do we extract useful physical models and insight from these simulations? In this article, we present a formal theory of downfolding–extracting an effective Hamiltonian from first-principles calculations. The theory maps the downfolding problem into fitting information derived from wave functions sampled from a low-energy subspace of the full Hilbert space. Since this fitting process most commonly uses reduced density matrices, we term it density matrix downfolding (DMD.

Hanle-Zeeman Scattering Matrix for Magnetic Dipole Transitions

Energy Technology Data Exchange (ETDEWEB)

Megha, A.; Sampoorna, M.; Nagendra, K. N.; Sankarasubramanian, K., E-mail: megha@iiap.res.in, E-mail: sampoorna@iiap.res.in, E-mail: knn@iiap.res.in, E-mail: sankar@iiap.res.in [Indian Institute of Astrophysics, Koramangala, Bengaluru 560 034 (India)

2017-06-01

The polarization of the light that is scattered by the coronal ions is influenced by the anisotropic illumination from the photosphere and the magnetic field structuring in the solar corona. The properties of the coronal magnetic fields can be well studied by understanding the polarization properties of coronal forbidden emission lines that arise from magnetic dipole ( M 1) transitions in the highly ionized atoms that are present in the corona. We present the classical scattering theory of the forbidden lines for a more general case of arbitrary-strength magnetic fields. We derive the scattering matrix for M 1 transitions using the classical magnetic dipole model of Casini and Lin and applying the scattering matrix approach of Stenflo. We consider a two-level atom model and neglect collisional effects. The scattering matrix so derived is used to study the Stokes profiles formed in coronal conditions in those regions where the radiative excitations dominate collisional excitations. To this end, we take into account the integration over a cone of an unpolarized radiation from the solar disk incident on the scattering atoms. Furthermore, we also integrate along the line of sight to calculate the emerging polarized line profiles. We consider radial and dipole magnetic field configurations and spherically symmetric density distributions. For our studies we adopt the atomic parameters corresponding to the [Fe xiii] 10747 Å coronal forbidden line. We also discuss the nature of the scattering matrix for M 1 transitions and compare it with that for the electric dipole ( E 1) transitions.

Magnetic field vector and electron density diagnostics from linear polarization measurements in 14 solar prominences

Science.gov (United States)

Bommier, V.

1986-01-01

The Hanle effect is the modification of the linear polarization parameters of a spectral line due to the effect of the magnetic field. It has been successfully applied to the magnetic field vector diagnostic in solar prominences. The magnetic field vector is determined by comparing the measured polarization to the polarization computed, taking into account all the polarizing and depolarizing processes in line formation and the depolarizing effect of the magnetic field. The method was applied to simultaneous polarization measurements in the Helium D3 line and in the hydrogen beta line in 14 prominences. Four polarization parameters are measured, which lead to the determination of the three coordinates of the magnetic field vector and the electron density, owing to the sensitivity of the hydrogen beta line to the non-negligible effect of depolarizing collisions with electrons and protons of the medium. A mean value of 1.3 x 10 to the 10th power cu. cm. is derived in 14 prominences.

TREATMENT OF NONADIABATIC TRANSITIONS BY DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS

NARCIS (Netherlands)

MAVRI, J; BERENDSEN, HJC

1994-01-01

A density matrix evolution (DME) method (H.J.C. Berendsen and J. Mavri, J. Phys. Chem., 97 (1993) 13469) to simulate the dynamics of quantum systems embedded in a classical environment is presented. The DME method allows treatment of nonadiabatic transitions. As numerical examples the collinear

Investigation of spin-polarized transport in GaAs nanostructures

Energy Technology Data Exchange (ETDEWEB)

Tierney, B D; Day, T E; Goodnick, S M [Department of Electrical Engineering and Center for Solid State Electronics Research Arizona State University, Tempe, AZ 85287-5706 (United States)], E-mail: brian.tierney@asu.edu

2008-03-15

A spin field effect transistor (spin-FET) has been fabricated that employs nanomagnets as components of quantum point contact (QPC) structures to inject spin-polarized carriers into the high-mobility two-dimensional electron gas (2DEG) of a GaAs quantum well and to detect them. A centrally-placed non-magnetic Rashba gate controls both the density of electrons in the 2DEG and the electronic spin precession. Initial results are presented for comparable device structures modeled with an ensemble Monte Carlo (EMC) method. In the EMC the temporal and spatial evolution of the ensemble carrier spin polarization is governed by a spin density matrix formalism that incorporates the Dresselhaus and Rashba contributions to the D'yakanov-Perel spin-flip scattering mechanism, the predominant spin scattering mechanism in AlGaAs/GaAs heterostructures from 77-300K.

Effect of a new matrix system for low-polar organic compounds in fast atom bombardment mass spectrometry

International Nuclear Information System (INIS)

Takayama, Mitsuo; Fukai, Toshio; Nomura, Taro

1988-01-01

A new matrix system m-NBA-DTDE (1:1) for FABMS of low-polar compounds, such as cholesterol and stearic acid methyl ester, was prepared. The system, i.e., a 1:1 mixture of m-NBA (m-nitrobenzyl alcohol) to DTDE (2,2-dithiodiethanol or 2-hydroxyethyl disulfide), contributed to measuring the positive ion FAB mass spectra of above compounds and morusin permethyl ether, and it brought an effective result on the ion current lifetime and the reproducibility of their spectra. The positive ion FAB mass spectra of these low-polar compounds were compared with the corresponding positive ion EI and CI mass spectra. (author)

Links between matrix bulk density, macropore characteristics and hydraulic behavior of soils

DEFF Research Database (Denmark)

Katuwal, Sheela; Møldrup, Per; Lamandé, Mathieu

2013-01-01

characteristics on soil hydraulic functions has rarely been studied. With the objective of studying the links between these parameters we quantified macropore characteristics of intact soil columns (19 cm diameter x 20 cm high) from two agricultural field sites (Silstrup and Faardrup) in Denmark using coarse...... resolution X-ray CT and linked them with laboratory measurements of air permeability and leaching experiment. In addition to macropore characteristics, we also quantified the CT-number of the matrix as a measure of the bulk density of the matrix, i.e., excluding macropores in the soil. Soils from the two...

Tuning the polarization-induced free hole density in nanowires graded from GaN to AlN

Science.gov (United States)

Golam Sarwar, A. T. M.; Carnevale, Santino D.; Kent, Thomas F.; Yang, Fan; McComb, David W.; Myers, Roberto C.

2015-01-01

We report a systematic study of p-type polarization-induced doping in graded AlGaN nanowire light emitting diodes grown on silicon wafers by plasma-assisted molecular beam epitaxy. The composition gradient in the p-type base is varied in a set of samples from 0.7%Al/nm to 4.95%Al/nm corresponding to negative bound polarization charge densities of 2.2 × 1018 cm-3 to 1.6 × 1019 cm-3. Capacitance measurements and energy band modeling reveal that for gradients greater than or equal to 1.30%Al/nm, the deep donor concentration is negligible and free hole concentrations roughly equal to the bound polarization charge density are achieved up to 1.6 × 1019 cm-3 at a gradient of 4.95%Al/nm. Accurate grading lengths in the p- and n-side of the pn-junction are extracted from scanning transmission electron microscopy images and are used to support energy band calculation and capacitance modeling. These results demonstrate the robust nature of p-type polarization doping in nanowires and put an upper bound on the magnitude of deep donor compensation.

Spin-polarized versus chiral condensate in quark matter at finite temperature and density

DEFF Research Database (Denmark)

Matsuoka, Hiroaki; Tsue, Yasuhiko; da Providencia, Joao

2016-01-01

It is shown that the spin-polarized condensate appears in quark matter at high baryon density and low temperature due to the tensor-type four-point interaction in the Nambu-Jona-Lasiniotype model as a low-energy effective theory of quantum chromodynamics. It is indicated within this low-energy ef...

Development of edge effects around experimental ecosystem hotspots is affected by edge density and matrix type

Science.gov (United States)

Ecological edge effects are sensitive to landscape context. In particular, edge effects can be altered by matrix type and by the presence of other nearby edges. We experimentally altered patch configurations in an African savanna to determine how edge density and matrix type influence edge effect de...

Spin observables in antiproton-proton to AntiLambda-Lambda and density-matrix constraints

OpenAIRE

Elchikh, Mokhtar; Richard, Jean-Marc

2005-01-01

The positivity conditions of the spin density matrix constrain the spin observables of the reaction antiproton-proton to AntiLambda-Lambda, leading to model-independent, non-trivial inequalities. The formalism is briefly presented and examples of inequalities are provided.

Time-dependent reduced density matrix functional theory applied to laser-driven, correlated two-electron dynamics

Energy Technology Data Exchange (ETDEWEB)

Brics, Martins; Kapoor, Varun; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

2013-07-01

Time-dependent density functional theory (TDDFT) with known and practicable exchange-correlation potentials does not capture highly correlated electron dynamics such as single-photon double ionization, autoionization, or nonsequential ionization. Time-dependent reduced density matrix functional theory (TDRDMFT) may remedy these problems. The key ingredients in TDRDMFT are the natural orbitals (NOs), i.e., the eigenfunctions of the one-body reduced density matrix (1-RDM), and the occupation numbers (OCs), i.e., the respective eigenvalues. The two-body reduced density matrix (2-RDM) is then expanded in NOs, and equations of motion for the NOs can be derived. If the expansion coefficients of the 2-RDM were known exactly, the problem at hand would be solved. In practice, approximations have to be made. We study the prospects of TDRDMFT following a top-down approach. We solve the exact two-electron time-dependent Schroedinger equation for a model Helium atom in intense laser fields in order to study highly correlated phenomena such as the population of autoionizing states or single-photon double ionization. From the exact wave function we calculate the exact NOs, OCs, the exact expansion coefficients of the 2-RDM, and the exact potentials in the equations of motion. In that way we can identify how many NOs and which level of approximations are necessary to capture such phenomena.

Detailed studies of a high-density polarized hydrogen gas target for storage rings

International Nuclear Information System (INIS)

Zapfe, K.; Brueckner, W.; Gaul, H.G.; Grieser, M.; Lin, M.T.; Moroz, Z.; Povh, B.; Rall, M.; Stechert, B.; Steffens, E.; Stenger, J.; Stock, F.; Tonhaeuser, J.; Montag, C.; Rathmann, F.; Fick, D.; Braun, B.; Graw, G.; Haeberli, W.

1996-01-01

A high-density target of polarized atomic hydrogen gas for applications in storage rings was produced by injecting atoms from an atomic beam source into a T-shaped storage cell. The influence of the internal gas target on electron-cooled beams of 27 MeV α-particles and 23 MeV protons in the Heidelberg Test Storage Ring has been studied in detail. Target polarization and target thickness were measured by means of 27 MeV α-particles. For hyperfine states 1+2 a target thickness of n=(0.96±0.04) x 10 14 H/cm 2 was achieved with the cell walls cooled to 100 K. Working with a weak magnetic holding field (∼5 G) the maximum target polarization was P T =0.84±0.02 when state 1 and P T =0.46±0.01 when states 1+2 were injected. The target polarization was found to be constant over a period of 3 months with a net charge of Q∼100 C passing the storage cell. (orig.)

Polarization of Coronal Forbidden Lines

Energy Technology Data Exchange (ETDEWEB)

Li, Hao; Qu, Zhongquan [Yunnan Observatories, Chinese Academy of Sciences, Kunming, Yunnan 650011 (China); Landi Degl’Innocenti, Egidio, E-mail: sayahoro@ynao.ac.cn [Dipartimento di Astronomia e Scienza dello Spazio, Università di Firenze, Largo E. Fermi 2, I-50125 Firenze (Italy)

2017-03-20

Since the magnetic field is responsible for most manifestations of solar activity, one of the most challenging problems in solar physics is the diagnostics of solar magnetic fields, particularly in the outer atmosphere. To this end, it is important to develop rigorous diagnostic tools to interpret polarimetric observations in suitable spectral lines. This paper is devoted to analyzing the diagnostic content of linear polarization imaging observations in coronal forbidden lines. Although this technique is restricted to off-limb observations, it represents a significant tool to diagnose the magnetic field structure in the solar corona, where the magnetic field is intrinsically weak and still poorly known. We adopt the quantum theory of polarized line formation developed in the framework of the density matrix formalism, and synthesize images of the emergent linear polarization signal in coronal forbidden lines using potential-field source-surface magnetic field models. The influence of electronic collisions, active regions, and Thomson scattering on the linear polarization of coronal forbidden lines is also examined. It is found that active regions and Thomson scattering are capable of conspicuously influencing the orientation of the linear polarization. These effects have to be carefully taken into account to increase the accuracy of the field diagnostics. We also found that linear polarization observation in suitable lines can give valuable information on the long-term evolution of the magnetic field in the solar corona.

On the statistical interpretation of quantum mechanics: evolution of the density matrix

International Nuclear Information System (INIS)

Benzecri, J.P.

1986-01-01

Without attempting to identify ontological interpretation with a mathematical structure, we reduce philosophical speculation to five theses. In the discussion of these, a central role is devoted to the mathematical problem of the evolution of the density matrix. This article relates to the first 3 of these 5 theses [fr

Spin polarization driven by a charge-density wave in monolayer 1T−TaS2

KAUST Repository

Zhang, Qingyun

2014-08-06

Using first-principles calculations, we investigate the electronic and vibrational properties of monolayer T-phase TaS2. We demonstrate that a charge-density wave is energetically favorable at low temperature, similar to bulk 1T-TaS2. Electron-phonon coupling is found to be essential for the lattice reconstruction. The charge-density wave results in a strong localization of the electronic states near the Fermi level and consequently in spin polarization, transforming the material into a magnetic semiconductor with enhanced electronic correlations. The combination of inherent spin polarization with a semiconducting nature distinguishes the monolayer fundamentally from the bulk compound as well as from other two-dimensional transition metal dichalcogenides. Monolayer T-phase TaS2 therefore has the potential to enable two-dimensional spintronics. © 2014 American Physical Society.

Spin polarization driven by a charge-density wave in monolayer 1T−TaS2

KAUST Repository

Zhang, Qingyun; Gan, Liyong; Cheng, Yingchun; Schwingenschlö gl, Udo

2014-01-01

Using first-principles calculations, we investigate the electronic and vibrational properties of monolayer T-phase TaS2. We demonstrate that a charge-density wave is energetically favorable at low temperature, similar to bulk 1T-TaS2. Electron-phonon coupling is found to be essential for the lattice reconstruction. The charge-density wave results in a strong localization of the electronic states near the Fermi level and consequently in spin polarization, transforming the material into a magnetic semiconductor with enhanced electronic correlations. The combination of inherent spin polarization with a semiconducting nature distinguishes the monolayer fundamentally from the bulk compound as well as from other two-dimensional transition metal dichalcogenides. Monolayer T-phase TaS2 therefore has the potential to enable two-dimensional spintronics. © 2014 American Physical Society.

Polarized atomic beams for targets

International Nuclear Information System (INIS)

Grueebler, W.

1984-01-01

The basic principle of the production of polarized atomic hydrogen and deuterium beams are reviewed. The status of the present available polarization, density and intensity are presented. The improvement of atomic beam density by cooling the hydrogen atoms to low velocity is discussed. The possible use of polarized atomic beams as targets in storage rings is shown. It is proposed that polarized atomic beams can be used to produce polarized gas targets with high polarization and greatly improved density

Microscopically based energy density functionals for nuclei using the density matrix expansion. II. Full optimization and validation

Science.gov (United States)

Navarro Pérez, R.; Schunck, N.; Dyhdalo, A.; Furnstahl, R. J.; Bogner, S. K.

2018-05-01

Background: Energy density functional methods provide a generic framework to compute properties of atomic nuclei starting from models of nuclear potentials and the rules of quantum mechanics. Until now, the overwhelming majority of functionals have been constructed either from empirical nuclear potentials such as the Skyrme or Gogny forces, or from systematic gradient-like expansions in the spirit of the density functional theory for atoms. Purpose: We seek to obtain a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. We thus consider a functional obtained from the density matrix expansion of local nuclear potentials from chiral effective field theory. We propose a parametrization of this functional carefully calibrated and validated on selected ground-state properties that is suitable for large-scale calculations of nuclear properties. Methods: Our energy functional comprises two main components. The first component is a non-local functional of the density and corresponds to the direct part (Hartree term) of the expectation value of local chiral potentials on a Slater determinant. Contributions to the mean field and the energy of this term are computed by expanding the spatial, finite-range components of the chiral potential onto Gaussian functions. The second component is a local functional of the density and is obtained by applying the density matrix expansion to the exchange part (Fock term) of the expectation value of the local chiral potential. We apply the UNEDF2 optimization protocol to determine the coupling constants of this energy functional. Results: We obtain a set of microscopically constrained functionals for local chiral potentials from leading order up to next-to-next-to-leading order with and without three-body forces and contributions from Δ excitations. These functionals are validated on the calculation of nuclear and neutron matter, nuclear mass tables, single-particle shell structure

Effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of hydroxyapatite-collagen composites as artificial bone materials

Energy Technology Data Exchange (ETDEWEB)

Yunoki, Shunji [Life Science Group, Tokyo Metropolitan Industrial Technology Research Institute, 2-11-1 Fukasawa, Setagaya-ku, Tokyo 158-0081 (Japan); Sugiura, Hiroaki; Kondo, Eiji; Yasuda, Kazunori [Department of Sports Medicine and Joint Surgery, Graduate School of Medicine, Hokkaido University, Kita-15 Nishi-7, Sapporo, Hokkaido 060-8638 Japan (Japan); Ikoma, Toshiyuki; Tanaka, Junzo, E-mail: yunoki.shunji@iri-tokyo.jp [Department of Metallurgy and Ceramics Science, 2-12-1-S7-1, Ookayama, Meguro-ku, Tokyo 152-8550 (Japan)

2011-02-15

The aim of this study was to evaluate the effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of porous hydroxyapatite (HAp)-collagen composites as artificial bone materials. Seven types of porous HAp-collagen composites were prepared from HAp nanocrystals and dense collagen fibrils. Their densities and HAp/collagen weight ratios ranged from 122 to 331 mg cm{sup -3} and from 20/80 to 80/20, respectively. The flexural modulus and strength increased with an increase in density, reaching 2.46 {+-} 0.48 and 0.651 {+-} 0.103 MPa, respectively. The porous composites with a higher collagen-matrix density exhibited much higher mechanical properties at the same densities, suggesting that increasing the collagen-matrix density is an effective way of improving the mechanical properties. It was also suggested that other structural factors in addition to collagen-matrix density are required to achieve bone-like mechanical properties. The in vivo absorbability of the composites was investigated in bone defects of rabbit femurs, demonstrating that the absorption rate decreased with increases in the composite density. An exhaustive increase in density is probably limited by decreases in absorbability as artificial bones.

Effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of hydroxyapatite-collagen composites as artificial bone materials

International Nuclear Information System (INIS)

Yunoki, Shunji; Sugiura, Hiroaki; Kondo, Eiji; Yasuda, Kazunori; Ikoma, Toshiyuki; Tanaka, Junzo

2011-01-01

The aim of this study was to evaluate the effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of porous hydroxyapatite (HAp)-collagen composites as artificial bone materials. Seven types of porous HAp-collagen composites were prepared from HAp nanocrystals and dense collagen fibrils. Their densities and HAp/collagen weight ratios ranged from 122 to 331 mg cm -3 and from 20/80 to 80/20, respectively. The flexural modulus and strength increased with an increase in density, reaching 2.46 ± 0.48 and 0.651 ± 0.103 MPa, respectively. The porous composites with a higher collagen-matrix density exhibited much higher mechanical properties at the same densities, suggesting that increasing the collagen-matrix density is an effective way of improving the mechanical properties. It was also suggested that other structural factors in addition to collagen-matrix density are required to achieve bone-like mechanical properties. The in vivo absorbability of the composites was investigated in bone defects of rabbit femurs, demonstrating that the absorption rate decreased with increases in the composite density. An exhaustive increase in density is probably limited by decreases in absorbability as artificial bones.

Retrieval of Droplet size Density Distribution from Multiple field of view Cross polarized Lidar Signals: Theory and Experimental Validation

Science.gov (United States)

2016-06-02

Retrieval of droplet-size density distribution from multiple-field-of-view cross-polarized lidar signals: theory and experimental validation...Gilles Roy, Luc Bissonnette, Christian Bastille, and Gilles Vallee Multiple-field-of-view (MFOV) secondary-polarization lidar signals are used to...use secondary polarization. A mathematical relation among the PSD, the lidar fields of view, the scattering angles, and the angular depolarization

On the statistical interpretation of quantum mechanics: evolution of the density matrix

International Nuclear Information System (INIS)

Benzecri, J.-P.

1986-01-01

Using two classical examples (the Young slit experiment and coherent and incoherent crystal diffraction of neutrons) we show in a general framework, that for a system viewed as consisting of two components, depolarisation of the density matrix by one of these can result from the application of the Schroedinger equation to the global system [fr

The spin polarized linear response from density functional theory: Theory and application to atoms

Energy Technology Data Exchange (ETDEWEB)

Fias, Stijn, E-mail: sfias@vub.ac.be; Boisdenghien, Zino; De Proft, Frank; Geerlings, Paul [General Chemistry (ALGC), Vrije Universiteit Brussel (Free University Brussels – VUB), Pleinlaan 2, 1050 Brussels (Belgium)

2014-11-14

Within the context of spin polarized conceptual density functional theory, the spin polarized linear response functions are introduced both in the [N, N{sub s}] and [N{sub α}, N{sub β}] representations. The mathematical relations between the spin polarized linear response functions in both representations are examined and an analytical expression for the spin polarized linear response functions in the [N{sub α}, N{sub β}] representation is derived. The spin polarized linear response functions were calculated for all atoms up to and including argon. To simplify the plotting of our results, we integrated χ(r, r′) to a quantity χ(r, r{sup ′}), circumventing the θ and ϕ dependence. This allows us to plot and to investigate the periodicity throughout the first three rows in the periodic table within the two different representations. For the first time, χ{sub αβ}(r, r{sup ′}), χ{sub βα}(r, r{sup ′}), and χ{sub SS}(r, r{sup ′}) plots have been calculated and discussed. By integration of the spin polarized linear response functions, different components to the polarisability, α{sub αα}, α{sub αβ}, α{sub βα}, and α{sub ββ} have been calculated.

Experimental determination of the real elements of the density matrix of H(n=3) atoms produced in 20--100-keV collisions of H+ on Kr

International Nuclear Information System (INIS)

Seifert, N.; Gibson, N.D.; Risley, J.S.

1995-01-01

In continuation of our previous work, charge transfer processes occurring in protons on rare-gas-atom collisions have been investigated. Diagonal and real off-diagonal coherence elements of the density matrix for H(n=3) atoms produced in 20--100-keV electron-capture collisions with Kr atoms are experimentally determined by analyzing the Balmer-α light from the decay of H atoms from the (n=3) state to the (n=2) state. The intensity and polarization of the emitted light are measured as functions of an axially symmetric electric field in the collision region. These data are fitted to a numerical model of the H atom in an electric field in order to extract density-matrix elements. The results are compared to previous studies of H + on He and Ar. The collisionally produced dipole moment of the H(n=3) atom decreases for increasing atomic number of the rare-gas target atoms, which indicates that the final phase of the collision process is not essential for the formation of the dipole moment. This physical picture is further supported by our alignment data. Absolute cross sections for charge transfer to the 3s, 3p, and 3d levels are presented as well

Semileptonic weak and electromagnetic interactions in nuclei: recoil polarization in muon capture

International Nuclear Information System (INIS)

Rosenfelder, R.

1979-01-01

An analysis of the polarization of the recoiling nucleus following the capture of polarized muons by nuclei is performed. New general expressions for arbitrary nuclear spin are obtained in terms of the same reduced matrix elements which govern inelastic electron scattering and β-decay. As an application the A = 12 system is considered and uncertainties in the nuclear structure are studied by using different sets of one-body density matrices. With the canonical values of the weak form factors (i.e. absence of second-class currents) a fairly good agreement with the experimental data is achieved including the inelastic form factor at high momentum transfers and the recently measured average 12 B polarization. Implications of the new corrected value of the average polarization on weak form factors and nuclear structure are discussed. (Auth.)

Part I. Corrosion studies of continuous alumina fiber reinforced aluminum-matrix composites. Part II. Galvanic corrosion between continuous alumina fiber reinforced aluminum-matrix composites and 4340 steel

Science.gov (United States)

Zhu, Jun

Part I. The corrosion performance of continuous alumina fiber reinforced aluminum-matrix composites (CF-AMCs) was investigated in both the laboratory and field environments by comparing them with their respective monolithic matrix alloys, i.e., pure Al, A1-2wt%Cu T6, and Al 6061 T6. The corrosion initiation sites were identified by monitoring the changes in the surface morphology. Corrosion current densities and pH profiles at localized corrosion sites were measured using the scanning-vibrating electrode technique and the scanning ion-selective electrode technique, respectively. The corrosion damage of the materials immersed in various electrolytes, as well as those exposed in a humidity chamber and outdoor environments, was evaluated. Potentiodynamic polarization behavior was also studied. The corrosion initiation for the composites in 3.15 wt% NaCl occurred primarily around the Fe-rich intermetallic particles, which preferentially existed around the fiber/matrix interface on the composites. The corrosion initiation sites were also caused by physical damage (e.g., localized deformation) to the composite surface. At localized corrosion sites, the buildup of acidity was enhanced by the formation of micro-crevices resulting from fibers left in relief as the matrix corroded. The composites that were tested in exposure experiments exhibited higher corrosion rates than their monolithic alloys. The composites and their monolithic alloys were subjected to pitting corrosion when anodically polarized in the 3.15 wt% NaCl, while they passivated when anodically polarized in 0.5 M Na2SO4. The experimental results indicated that the composites exhibited inferior corrosion resistance compared to their monolithic matrix alloys. Part II. Galvanic corrosion studies were conducted on CF-AMCs coupled to 4340 steel since CF-AMCs have low density and excellent mechanical properties and are being considered as potential jacketing materials for reinforcing steel gun barrels. Coupled and

Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search

Science.gov (United States)

Liang, Wenkel; Isborn, Christine M.; Li, Xiaosong

2009-11-01

The calculation of doubly excited states is one of the major problems plaguing the modern day excited state workhorse methodology of linear response time dependent Hartree-Fock (TDHF) and density function theory (TDDFT). We have previously shown that the use of a resonantly tuned field within real-time TDHF and TDDFT is able to simultaneously excite both the α and β electrons to achieve the two-electron excited states of minimal basis H2 and HeH+ [C. M. Isborn and X. Li, J. Chem. Phys. 129, 204107 (2008)]. We now extend this method to many electron systems with the use of our Car-Parrinello density matrix search (CP-DMS) with a first-principles fictitious mass method for wave function optimization [X. Li, C. L. Moss, W. Liang, and Y. Feng, J. Chem. Phys. 130, 234115 (2009)]. Real-time TDHF/TDDFT is used during the application of the laser field perturbation, driving the electron density toward the doubly excited state. The CP-DMS method then converges the density to the nearest stationary state. We present these stationary state doubly excited state energies and properties at the HF and DFT levels for H2, HeH+, lithium hydride, ethylene, and butadiene.

Polarized atomic orbitals for linear scaling methods

Science.gov (United States)

Berghold, Gerd; Parrinello, Michele; Hutter, Jürg

2002-02-01

We present a modified version of the polarized atomic orbital (PAO) method [M. S. Lee and M. Head-Gordon, J. Chem. Phys. 107, 9085 (1997)] to construct minimal basis sets optimized in the molecular environment. The minimal basis set derives its flexibility from the fact that it is formed as a linear combination of a larger set of atomic orbitals. This approach significantly reduces the number of independent variables to be determined during a calculation, while retaining most of the essential chemistry resulting from the admixture of higher angular momentum functions. Furthermore, we combine the PAO method with linear scaling algorithms. We use the Chebyshev polynomial expansion method, the conjugate gradient density matrix search, and the canonical purification of the density matrix. The combined scheme overcomes one of the major drawbacks of standard approaches for large nonorthogonal basis sets, namely numerical instabilities resulting from ill-conditioned overlap matrices. We find that the condition number of the PAO overlap matrix is independent from the condition number of the underlying extended basis set, and consequently no numerical instabilities are encountered. Various applications are shown to confirm this conclusion and to compare the performance of the PAO method with extended basis-set calculations.

Iterative Methods for the Non-LTE Transfer of Polarized Radiation: Resonance Line Polarization in One-dimensional Atmospheres

Science.gov (United States)

Trujillo Bueno, Javier; Manso Sainz, Rafael

1999-05-01

This paper shows how to generalize to non-LTE polarization transfer some operator splitting methods that were originally developed for solving unpolarized transfer problems. These are the Jacobi-based accelerated Λ-iteration (ALI) method of Olson, Auer, & Buchler and the iterative schemes based on Gauss-Seidel and successive overrelaxation (SOR) iteration of Trujillo Bueno and Fabiani Bendicho. The theoretical framework chosen for the formulation of polarization transfer problems is the quantum electrodynamics (QED) theory of Landi Degl'Innocenti, which specifies the excitation state of the atoms in terms of the irreducible tensor components of the atomic density matrix. This first paper establishes the grounds of our numerical approach to non-LTE polarization transfer by concentrating on the standard case of scattering line polarization in a gas of two-level atoms, including the Hanle effect due to a weak microturbulent and isotropic magnetic field. We begin demonstrating that the well-known Λ-iteration method leads to the self-consistent solution of this type of problem if one initializes using the ``exact'' solution corresponding to the unpolarized case. We show then how the above-mentioned splitting methods can be easily derived from this simple Λ-iteration scheme. We show that our SOR method is 10 times faster than the Jacobi-based ALI method, while our implementation of the Gauss-Seidel method is 4 times faster. These iterative schemes lead to the self-consistent solution independently of the chosen initialization. The convergence rate of these iterative methods is very high; they do not require either the construction or the inversion of any matrix, and the computing time per iteration is similar to that of the Λ-iteration method.

Differential cross sections and polarization observables from CLAS K⁎ photoproduction and the search for new N⁎ states

Directory of Open Access Journals (Sweden)

A.V. Anisovich

2017-08-01

Full Text Available The reaction γp→K⁎+Λ was measured using the CLAS detector for photon energies between the threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. For the first time, spin-density matrix elements have been extracted for this reaction. Differential cross sections, spin density matrix elements, and the Λ recoil polarization are compared with theoretical predictions using the BnGa partial wave analysis. The main result is the evidence for significant contributions from N(18951/2− and N(21001/2+ to the reaction. Branching ratios for decays into K⁎Λ for these resonances and further resonances are reported.

Differential cross sections and polarization observables from CLAS K* photoproduction and the search for new N* states

Science.gov (United States)

Anisovich, A. V.; Hicks, K.; Klempt, E.; Nikonov, V. A.; Sarantsev, A.; Tang, W.; Adikaram, D.; Akbar, Z.; Amaryan, M. J.; Anefalos Pereira, S.; Badui, R. A.; Ball, J.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Briscoe, W. J.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Chetry, T.; Ciullo, G.; Clark, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dugger, M.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fanchini, E.; Fedotov, G.; Filippi, A.; Fleming, J. A.; Gevorgyan, N.; Ghandilyan, Y.; Giovanetti, K. L.; Girod, F. X.; Gleason, C.; Gothe, R. W.; Griffioen, K. A.; Guo, L.; Hanretty, C.; Harrison, N.; Hattawy, M.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joosten, S.; Keller, D.; Khachatryan, G.; Khandaker, M.; Kim, W.; Klein, F. J.; Kubarovsky, V.; Lanza, L.; Lenisa, P.; Livingston, K.; MacGregor, I. J. D.; Markov, N.; McKinnon, B.; Meyer, C. A.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Movsisyan, A.; Munevar, E.; Munoz Camacho, C.; Murdoch, G.; Nadel-Turonski, P.; Net, L. A.; Ni, A.; Niccolai, S.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Peng, P.; Phelps, W.; Pisano, S.; Pogorelko, O.; Price, J. W.; Prok, Y.; Puckett, A. J. R.; Raue, B. A.; Ripani, M.; Ritchie, B. G.; Rosner, G.; Roy, P.; Sabatié, F.; Schumacher, R. A.; Sharabian, Y. G.; Skorodumina, Iu.; Smith, G. D.; Sokhan, D.; Sparveris, N.; Stankovic, I.; Stepanyan, S.; Strauch, S.; Sytnik, V.; Tian, Ye.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wood, M. H.; Zachariou, N.; Zhang, J.; Zonta, I.; CLAS Collaboration

2017-08-01

The reaction γp →K*+ Λ was measured using the CLAS detector for photon energies between the threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. For the first time, spin-density matrix elements have been extracted for this reaction. Differential cross sections, spin density matrix elements, and the Λ recoil polarization are compared with theoretical predictions using the BnGa partial wave analysis. The main result is the evidence for significant contributions from N (1895) 1 /2- and N (2100) 1 /2+ to the reaction. Branching ratios for decays into K* Λ for these resonances and further resonances are reported.

The transfer matrix approach to circular graphene quantum dots

International Nuclear Information System (INIS)

Nguyen, H Chau; Nguyen, Nhung T T; Nguyen, V Lien

2016-01-01

We adapt the transfer matrix (T -matrix) method originally designed for one-dimensional quantum mechanical problems to solve the circularly symmetric two-dimensional problem of graphene quantum dots. Similar to one-dimensional problems, we show that the generalized T -matrix contains rich information about the physical properties of these quantum dots. In particular, it is shown that the spectral equations for bound states as well as quasi-bound states of a circular graphene quantum dot and related quantities such as the local density of states and the scattering coefficients are all expressed exactly in terms of the T -matrix for the radial confinement potential. As an example, we use the developed formalism to analyse physical aspects of a graphene quantum dot induced by a trapezoidal radial potential. Among the obtained results, it is in particular suggested that the thermal fluctuations and electrostatic disorders may appear as an obstacle to controlling the valley polarization of Dirac electrons. (paper)

Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

Science.gov (United States)

Yanai, Takeshi; Kurashige, Yuki; Neuscamman, Eric; Chan, Garnet Kin-Lic

2010-01-14

We describe the joint application of the density matrix renormalization group and canonical transformation theory to multireference quantum chemistry. The density matrix renormalization group provides the ability to describe static correlation in large active spaces, while the canonical transformation theory provides a high-order description of the dynamic correlation effects. We demonstrate the joint theory in two benchmark systems designed to test the dynamic and static correlation capabilities of the methods, namely, (i) total correlation energies in long polyenes and (ii) the isomerization curve of the [Cu(2)O(2)](2+) core. The largest complete active spaces and atomic orbital basis sets treated by the joint DMRG-CT theory in these systems correspond to a (24e,24o) active space and 268 atomic orbitals in the polyenes and a (28e,32o) active space and 278 atomic orbitals in [Cu(2)O(2)](2+).

Evolution of Mars’ Northern Polar Seasonal CO2 deposits: variations in surface brightness and bulk density

Science.gov (United States)

Mount, Christopher P.; Titus, Timothy N.

2015-01-01

Small scale variations of seasonal ice are explored at different geomorphic units on the Northern Polar Seasonal Cap (NPSC). We use seasonal rock shadow measurements, combined with visible and thermal observations, to calculate density over time. The coupling of volume density and albedo allows us to determine the microphysical state of the seasonal CO2 ice. We find two distinct endmembers across the NPSC: 1) Snow deposits may anneal to form an overlying slab layer that fractures. These low density deposits maintain relatively constant densities over springtime. 2) Porous slab deposits likely anneal rapidly in early spring and fracture in late spring. These high density deposits dramatically increase in density over time. The endmembers appear to be correlated with latitude.

On the inclusive annihilation of polarized e+e--pair with two observed hadrons

International Nuclear Information System (INIS)

Khachatryan, G.N.; Shakhnazaryan, Yu.G.

1976-01-01

The general consideration of the inclusive annihilation of polarized e + e - -pair with two observed hadrons in final state (e + e - →h 1 h 2 X) is carried out. The annihilation cross section is expressed in terms of five structure functions describing the transition γ*→h 1 h 2 X. The partial widths of the corresponding decay of a virtual photon for different polarizations of the photon are also introduced and the annihilation cross section is written through these widths. The density matrix of the virtual photon and its polarizational multipole moments are given as well

A parton shower based on factorization of the quantum density matrix

OpenAIRE

Nagy, Zoltan; Soper, Davison E.

2014-01-01

We present first results from a new parton shower event generator, D eductor . Anticipating a need for an improved treatment of parton color and spin, the structure of the generator is based on the quantum density matrix in color and spin space. So far, D eductor implements only a standard spin-averaged treatment of spin in parton splittings. Although D eductor implements an improved treatment of color, in this paper we present results in the standard leading color approximation so that we ca...

Gamow-Jordan vectors and non-reducible density operators from higher-order S-matrix poles

International Nuclear Information System (INIS)

Bohm, A.; Loewe, M.; Maxson, S.; Patuleanu, P.; Puentmann, C.; Gadella, M.

1997-01-01

In analogy to Gamow vectors that are obtained from first-order resonance poles of the S-matrix, one can also define higher-order Gamow vectors which are derived from higher-order poles of the S-matrix. An S-matrix pole of r-th order at z R =E R -iΓ/2 leads to r generalized eigenvectors of order k=0,1,hor-ellipsis,r-1, which are also Jordan vectors of degree (k+1) with generalized eigenvalue (E R -iΓ/2). The Gamow-Jordan vectors are elements of a generalized complex eigenvector expansion, whose form suggests the definition of a state operator (density matrix) for the microphysical decaying state of this higher-order pole. This microphysical state is a mixture of non-reducible components. In spite of the fact that the k-th order Gamow-Jordan vectors has the polynomial time-dependence which one always associates with higher-order poles, the microphysical state obeys a purely exponential decay law. copyright 1997 American Institute of Physics

Current-induced spin polarization in InGaAs and GaAs epilayers with varying doping densities

Science.gov (United States)

Luengo-Kovac, M.; Huang, S.; Del Gaudio, D.; Occena, J.; Goldman, R. S.; Raimondi, R.; Sih, V.

2017-11-01

The current-induced spin polarization and momentum-dependent spin-orbit field were measured in InxGa1 -xAs epilayers with varying indium concentrations and silicon doping densities. Samples with higher indium concentrations and carrier concentrations and lower mobilities were found to have larger electrical spin generation efficiencies. Furthermore, current-induced spin polarization was detected in GaAs epilayers despite the absence of measurable spin-orbit fields, indicating that the extrinsic contributions to the spin-polarization mechanism must be considered. Theoretical calculations based on a model that includes extrinsic contributions to the spin dephasing and the spin Hall effect, in addition to the intrinsic Rashba and Dresselhaus spin-orbit coupling, are found to reproduce the experimental finding that the crystal direction with the smaller net spin-orbit field has larger electrical spin generation efficiency and are used to predict how sample parameters affect the magnitude of the current-induced spin polarization.

Partial differential equation for the idempotent Dirac density matrix characterized solely by the exact non-relativistic ground-state electron density for spherical atomic ions

International Nuclear Information System (INIS)

March, N.H.

2009-08-01

In this Journal, March and Suhai have earlier set up a first-order Dirac idempotent density matrix theory for one- and two-level occupancy in which the only input required is the nonrelativistic ground-state electron density. Here, an analytic generalization is provided for the case of spherical electron densities for arbitrary level occupancy. Be-like atomic ions are referred to as an example, but 'almost spherical' molecules like SiH 4 and GeH 4 also become accessible. (author)

Size and density of East Greenland polar bear (Ursus maritimus) skulls

DEFF Research Database (Denmark)

Sonne, Christian; Bechshoft, Thea Ø.; Rigét, Frank F.

2013-01-01

density (BMD) in 87 East Greenland male polar bears (Ursus maritimus) sampled in the time period of 1892-2010. The purpose of the study was to investigate if these measures are potential candidates as indicators for stress associated with climate change and long-range transported toxic industrial...... of the limited sample size in period 2 and lower mean age in period 4. Therefore, precautions should be taken towards a final conclusion on BMD and CBL as bioindicators for climate oscillations and exposure to toxic environmental chemicals. It is recommended that the sampling and archiving of East Greenland...... chemicals. The analyses showed that both BMD and CBL in polar bears sampled in period 4 (1999-2010, n = 57) were significantly lower when compared with period 2 (1920-1936, n = 19) (both p

A reduced-scaling density matrix-based method for the computation of the vibrational Hessian matrix at the self-consistent field level

International Nuclear Information System (INIS)

Kussmann, Jörg; Luenser, Arne; Beer, Matthias; Ochsenfeld, Christian

2015-01-01

An analytical method to calculate the molecular vibrational Hessian matrix at the self-consistent field level is presented. By analysis of the multipole expansions of the relevant derivatives of Coulomb-type two-electron integral contractions, we show that the effect of the perturbation on the electronic structure due to the displacement of nuclei decays at least as r −2 instead of r −1 . The perturbation is asymptotically local, and the computation of the Hessian matrix can, in principle, be performed with O(N) complexity. Our implementation exhibits linear scaling in all time-determining steps, with some rapid but quadratic-complexity steps remaining. Sample calculations illustrate linear or near-linear scaling in the construction of the complete nuclear Hessian matrix for sparse systems. For more demanding systems, scaling is still considerably sub-quadratic to quadratic, depending on the density of the underlying electronic structure

Geometrical separation method for lipoproteins using bioformulated-fiber matrix electrophoresis: size of high-density lipoprotein does not reflect its density.

Science.gov (United States)

Tabuchi, Mari; Seo, Makoto; Inoue, Takayuki; Ikeda, Takeshi; Kogure, Akinori; Inoue, Ikuo; Katayama, Shigehiro; Matsunaga, Toshiyuki; Hara, Akira; Komoda, Tsugikazu

2011-02-01

The increasing number of patients with metabolic syndrome is a critical global problem. In this study, we describe a novel geometrical electrophoretic separation method using a bioformulated-fiber matrix to analyze high-density lipoprotein (HDL) particles. HDL particles are generally considered to be a beneficial component of the cholesterol fraction. Conventional electrophoresis is widely used but is not necessarily suitable for analyzing HDL particles. Furthermore, a higher HDL density is generally believed to correlate with a smaller particle size. Here, we use a novel geometrical separation technique incorporating recently developed nanotechnology (Nata de Coco) to contradict this belief. A dyslipidemia patient given a 1-month treatment of fenofibrate showed an inverse relationship between HDL density and size. Direct microscopic observation and morphological observation of fractionated HDL particles confirmed a lack of relationship between particle density and size. This new technique may improve diagnostic accuracy and medical treatment for lipid related diseases.

The density matrix renormalization group method. Application to the EPP model of a cyclic polyene chain

International Nuclear Information System (INIS)

Fano, G.; Ortolani, F.; Ziosi, L.

1997-10-01

The density matrix renormalization group (DMRG) method introduced by White for the study of strongly interacting electron systems is reviewed; the method is variational and considers a system of localized electrons as the union of two adjacent fragments A,B. A density matrix ρ is introduced, whose eigenvectors corresponding to the largest eigenvalues are the most significant, the most probable states of A in the presence of B; these states are retained, while states corresponding to small eigenvalues of ρ are neglected. It is conjectured that the decreasing behaviour of the eigenvalues is gaussian. The DMRG method is tested on the Pariser-Parr-Pople Hamiltonian of a cyclic polyene (CH) N up to N = 34. A Hilbert space of dimension 5. x 10 18 is explored. The ground state energy is 10 -3 eV within the full Cl value in the case N = 18. The DMRG method compares favourably also with coupled cluster approximations. The unrestricted Hartree-Fock solution (which presents spin density waves) is briefly reviewed, and a comparison is made with the DMRG energy values. Finally, the spin-spin and density-density correlation functions are computed; the results suggest that the antiferromagnetic order of the exact solution does not extend up to large distances but exists locally. No charge density waves are present. (author)

General Properties of Scattering Matrix for Mode Conversion Process between B Waves and External EM Waves and Their Consequence to Experiments

International Nuclear Information System (INIS)

Maekawa, T.; Tanaka, H.; Uchida, M.; Igami, H.

2003-01-01

General properties of scattering matrix, which governs the mode conversion process between electron Bernstein (B) waves and external electromagnetic (EM) waves in the presence of steep density gradient, are theoretically analyzed. Based on the analysis, polarization adjustment of incident EM waves for optimal mode conversion to B waves is possible and effective for a range of density gradient near the upper hybrid resonance, which are not covered by the previously proposed schemes of perpendicular injection of X mode and oblique injection of O mode. Furthermore, the analysis shows that the polarization of the externally emitted EM waves from B waves is uniquely related to the optimized polarization of incident EM waves for B wave heating and that the mode conversion rate is the same for the both processes of emission and the injection with the optimized polarization

Cathodic Polarization Coats Titanium Based Implant Materials with Enamel Matrix Derivate (EMD

Directory of Open Access Journals (Sweden)

Matthias J. Frank

2014-03-01

Full Text Available The idea of a bioactive surface coating that enhances bone healing and bone growth is a strong focus of on-going research for bone implant materials. Enamel matrix derivate (EMD is well documented to support bone regeneration and activates growth of mesenchymal tissues. Thus, it is a prime candidate for coating of existing implant surfaces. The aim of this study was to show that cathodic polarization can be used for coating commercially available implant surfaces with an immobilized but functional and bio-available surface layer of EMD. After coating, XPS revealed EMD-related bindings on the surface while SIMS showed incorporation of EMD into the surface. The hydride layer of the original surface could be activated for coating in an integrated one-step process that did not require any pre-treatment of the surface. SEM images showed nano-spheres and nano-rods on coated surfaces that were EMD-related. Moreover, the surface roughness remained unchanged after coating, as it was shown by optical profilometry. The mass peaks observed in the matrix-assisted laser desorption/ionization time-of-flight mass spectroscopy (MALDI-TOF MS analysis confirmed the integrity of EMD after coating. Assessment of the bioavailability suggested that the modified surfaces were active for osteoblast like MC3M3-E1 cells in showing enhanced Coll-1 gene expression and ALP activity.

Non-uniformity calibration for MWIR polarization imagery obtained with integrated microgrid polarimeters

Science.gov (United States)

Liu, Hai-Zheng; Shi, Ze-Lin; Feng, Bin; Hui, Bin; Zhao, Yao-Hong

2016-03-01

Integrating microgrid polarimeters on focal plane array (FPA) of an infrared detector causes non-uniformity of polarization response. In order to reduce the effect of polarization non-uniformity, this paper constructs an experimental setup for capturing raw flat-field images and proposes a procedure for acquiring non-uniform calibration (NUC) matrix and calibrating raw polarization images. The proposed procedure takes the incident radiation as a polarization vector and offers a calibration matrix for each pixel. Both our matrix calibration and two-point calibration are applied to our mid-wavelength infrared (MWIR) polarization imaging system with integrated microgrid polarimeters. Compared with two point calibration, our matrix calibration reduces non-uniformity by 30 40% under condition of flat-field data test with polarization. The ourdoor scene observation experiment indicates that our calibration can effectively reduce polarization non-uniformity and improve the image quality of our MWIR polarization imaging system.

Modulation of electromagnetic fields by a depolarizer of random polarizer array

DEFF Research Database (Denmark)

Ma, Ning; Hanson, Steen Grüner; Wang, Wei

2016-01-01

The statistical properties of the electric fields with random changes of the polarization state in space generated by a depolarizer are investigated on the basis of the coherence matrix. The depolarizer is a polarizer array composed of a multitude of contiguous square cells of polarizers with ran......The statistical properties of the electric fields with random changes of the polarization state in space generated by a depolarizer are investigated on the basis of the coherence matrix. The depolarizer is a polarizer array composed of a multitude of contiguous square cells of polarizers...... with randomly distributed polarization angles, where the incident fields experience a random polarization modulation after passing through the depolarizer. The propagation of the modulated electric fields through any quadratic optical system is examined within the framework of the complex ABCD matrix to show...

Polarization and EIS studies to evaluate the effect of aluminum concentration on the corrosion behavior of SAC105 solder alloy

Directory of Open Access Journals (Sweden)

Liyana N. K.

2018-03-01

Full Text Available This paper presents an investigation on corrosion behavior of Sn-1.0Ag-0.5Cu-XAl (X = 0, 0.1, 0.5, 1.0 by means of polarization and electrochemical impedance spectroscopy (EIS measurements in 3.5 wt.% NaCl solution. The results show that addition of aluminum into SAC105 shifts the corrosion current density and passivation current density towards more positive values. It is also found that with an increase in aluminum concentration in SAC105 solder alloy, the corrosion current density increases and polarization resistance decreases. This suggests that SAC105 with the highest concentration of Al has the lowest corrosion resistance. In this case, the corrosion behavior seems to be attributed to anodic dissolution of aluminum and Sn-matrix.

Spin-density correlations in the dynamic spin-fluctuation theory: Comparison with polarized neutron scattering experiments

Energy Technology Data Exchange (ETDEWEB)

Melnikov, N.B., E-mail: melnikov@cs.msu.su [Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Reser, B.I., E-mail: reser@imp.uran.ru [Miheev Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Paradezhenko, G.V., E-mail: gparadezhenko@cs.msu.su [Lomonosov Moscow State University, Moscow 119991 (Russian Federation)

2016-08-01

To study the spin-density correlations in the ferromagnetic metals above the Curie temperature, we relate the spin correlator and neutron scattering cross-section. In the dynamic spin-fluctuation theory, we obtain explicit expressions for the effective and local magnetic moments and spatial spin-density correlator. Our theoretical results are demonstrated by the example of bcc Fe. The effective and local moments are found in good agreement with results of polarized neutron scattering experiment over a wide temperature range. The calculated short-range order is small (up to 4 Å) and slowly decreases with temperature.

Spontaneous spin polarization in quantum wires

Energy Technology Data Exchange (ETDEWEB)

Vasilchenko, A.A., E-mail: a_vas2002@mail.ru

2015-12-04

The total energy of a quasi-one-dimensional electron system was calculated using the density functional theory. In the absence of a magnetic field, we have found that ferromagnetic state occurs in the quantum wires. The phase diagram of the transition into the spin-polarized state is constructed. The critical electron density below which electrons are in spin-polarized state is estimated analytically. - Highlights: • Density functional theory used to study a spin-polarized state in quantum wires. • The Kohn–Sham equation for quasi-one-dimensional electrons solved numerically. • The phase diagram of the transition into the spin-polarized state is constructed. • The electron density below which electrons are in a spin-polarized state was found. • The critical density of electrons was estimated analytically.

Spontaneous spin polarization in quantum wires

International Nuclear Information System (INIS)

Vasilchenko, A.A.

2015-01-01

The total energy of a quasi-one-dimensional electron system was calculated using the density functional theory. In the absence of a magnetic field, we have found that ferromagnetic state occurs in the quantum wires. The phase diagram of the transition into the spin-polarized state is constructed. The critical electron density below which electrons are in spin-polarized state is estimated analytically. - Highlights: • Density functional theory used to study a spin-polarized state in quantum wires. • The Kohn–Sham equation for quasi-one-dimensional electrons solved numerically. • The phase diagram of the transition into the spin-polarized state is constructed. • The electron density below which electrons are in a spin-polarized state was found. • The critical density of electrons was estimated analytically.

POLAMI: Polarimetric Monitoring of Active Galactic Nuclei at Millimetre Wavelengths - III. Characterization of total flux density and polarization variability of relativistic jets

Science.gov (United States)

Agudo, Iván; Thum, Clemens; Ramakrishnan, Venkatessh; Molina, Sol N.; Casadio, Carolina; Gómez, José L.

2018-01-01

We report on the first results of the POLAMI (Polarimetric Monitoring of AGNs with Millimetre Wavelengths) programme, a simultaneous 3.5 and 1.3 mm full-Stokes-polarization monitoring of a sample of 36 of the brightest active galactic nuclei in the northern sky with the IRAM 30 m telescope. Through a systematic statistical study of data taken from 2006 October (from 2009 December for the case of the 1.3 mm observations) to 2014 August, we characterize the variability of the total flux density and linear polarization. We find that all sources in the sample are highly variable in total flux density at both 3.5 and 1.3 mm, as well as in spectral index, which (except in particularly prominent flares) is found to be optically thin between these two wavelengths. The total flux-density variability at 1.3 mm is found, in general, to be faster, and to have larger fractional amplitude and flatter power-spectral-density slopes than at 3.5 mm. The polarization degree is on average larger at 1.3 mm than at 3.5 mm, by a factor of 2.6. The variability of linear polarization degree is faster and has higher fractional amplitude than for total flux density, with the typical time-scales during prominent polarization peaks being significantly faster at 1.3 mm than at 3.5 mm. The polarization angle at both 3.5 and 1.3 mm is highly variable. Most of the sources show one or two excursions of >180° on time-scales from a few weeks to about a year during the course of our observations. The 3.5 and 1.3 mm polarization angle evolution follows each other rather well, although the 1.3 mm data show a clear preference to more prominent variability on the short time-scales, i.e. weeks. The data are compatible with multizone models of conical jets involving smaller emission regions for the shortest-wavelength emitting sites. Such smaller emitting regions should also be more efficient in energising particle populations, as implied by the coherent evolution of the spectral index and the total flux

Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function.

Science.gov (United States)

Poelmans, Ward; Van Raemdonck, Mario; Verstichel, Brecht; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Alcoba, Diego R; Bultinck, Patrick; Van Neck, Dimitri

2015-09-08

We perform a direct variational determination of the second-order (two-particle) density matrix corresponding to a many-electron system, under a restricted set of the two-index N-representability P-, Q-, and G-conditions. In addition, we impose a set of necessary constraints that the two-particle density matrix must be derivable from a doubly occupied many-electron wave function, i.e., a singlet wave function for which the Slater determinant decomposition only contains determinants in which spatial orbitals are doubly occupied. We rederive the two-index N-representability conditions first found by Weinhold and Wilson and apply them to various benchmark systems (linear hydrogen chains, He, N2, and CN(-)). This work is motivated by the fact that a doubly occupied many-electron wave function captures in many cases the bulk of the static correlation. Compared to the general case, the structure of doubly occupied two-particle density matrices causes the associate semidefinite program to have a very favorable scaling as L(3), where L is the number of spatial orbitals. Since the doubly occupied Hilbert space depends on the choice of the orbitals, variational calculation steps of the two-particle density matrix are interspersed with orbital-optimization steps (based on Jacobi rotations in the space of the spatial orbitals). We also point to the importance of symmetry breaking of the orbitals when performing calculations in a doubly occupied framework.

Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors

KAUST Repository

Ryno, Sean

2016-05-16

The polarizable environment surrounding charge carriers in organic semiconductors impacts the efficiency of the charge transport process. Here, we consider two representative organic semiconductors, tetracene and rubrene, and evaluate their polarization energies in the bulk and at the organic-vacuum interface using a polarizable force field that accounts for induced-dipole and quadrupole interactions. Though both oligoacenes pack in a herringbone motif, the tetraphenyl substituents on the tetracene backbone of rubrene alter greatly the nature of the packing. The resulting change in relative orientations of neighboring molecules is found to reduce the bulk polarization energy of holes in rubrene by some 0.3 eV when compared to tetracene. The consideration of model organic-vacuum interfaces highlights the significant variation in the electrostatic environment for a charge carrier at a surface although the net change in polarization energy is small; interestingly, the environment of a charge even just one layer removed from the surface can be viewed already as representative of the bulk. Overall, it is found that in these herringbone-type layered crystals the polarization energy has a much stronger dependence on the intralayer packing density than interlayer packing density.

Magnetized Reverse Shock: Density-fluctuation-induced Field Distortion, Polarization Degree Reduction, and Application to GRBs

Energy Technology Data Exchange (ETDEWEB)

Deng Wei; Zhang Bing [Department of Physics and Astronomy, University of Nevada Las Vegas, Las Vegas, NV 89154 (United States); Li Hui [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Stone, James M., E-mail: deng@physics.unlv.edu, E-mail: zhang@physics.unlv.edu, E-mail: hli@lanl.gov, E-mail: jstone@astro.princeton.edu [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544-1001 (United States)

2017-08-10

The early optical afterglow emission of several gamma-ray bursts (GRBs) shows a high linear polarization degree (PD) of tens of percent, suggesting an ordered magnetic field in the emission region. The light curves are consistent with being of a reverse shock (RS) origin. However, the magnetization parameter, σ , of the outflow is unknown. If σ is too small, an ordered field in the RS may be quickly randomized due to turbulence driven by various perturbations so that the PD may not be as high as observed. Here we use the “Athena++” relativistic MHD code to simulate a relativistic jet with an ordered magnetic field propagating into a clumpy ambient medium, with a focus on how density fluctuations may distort the ordered magnetic field and reduce PD in the RS emission for different σ values. For a given density fluctuation, we discover a clear power-law relationship between the relative PD reduction and the σ value of the outflow. Such a relation may be applied to estimate σ of the GRB outflows using the polarization data of early afterglows.

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)

Polarization, alignment, and orientation in atomic collisions

CERN Document Server

Andersen, Nils

2017-01-01

This book covers polarization, alignment, and orientation effects in atomic collisions induced by electron, heavy particle, or photon impact. The first part of the book presents introductory chapters on light and particle polarization, experimental and computational methods, and the density matrix and state multipole formalism. Examples and exercises are included. The second part of the book deals with case studies of electron impact and heavy particle excitation, electron transfer, impact ionization, and autoionization. A separate chapter on photo-induced processes by new-generation light sources has been added. The last chapter discusses related topics and applications. Part III includes examples of charge clouds and introductory summaries of selected seminal papers of tutorial value from the early history of the field (1925 – 1975). The book is a significant update to the previous (first) edition, particularly in experimental and computational methods, the inclusion of key results obtained during the pas...

Electro-mechanical properties of free standing micro- and nano-scale polymer-ceramic composites for energy density capacitors

Energy Technology Data Exchange (ETDEWEB)

Singh, Paritosh; Borkar, Hitesh [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi, 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-National Physical Laboratory (CSIR-NPL) Campus, Dr. K. S. Krishnan Road, New Delhi, 110012 (India); Singh, B.P.; Singh, V.N. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi, 110012 (India); Kumar, Ashok, E-mail: ashok553@nplindia.org [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi, 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-National Physical Laboratory (CSIR-NPL) Campus, Dr. K. S. Krishnan Road, New Delhi, 110012 (India)

2015-11-05

The integration of inorganic fillers in polymer matrix is useful for superior mechanical strength and functional properties of polymer-ceramic composites. We report the fabrication and characterization of polyvinylidene fluoride-CoFe{sub 2}O{sub 4} (PVDF-CFO) (wt% 80:20, respectively) and PVDF-Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3}–CoFe{sub 2}O{sub 4} (PVDF-PZT-CFO) (wt% 80:10:10, respectively) free standing 50 μm thick ferroelectric-polymer-ceramic composites films. X-ray diffraction (XRD) patterns and Raman spectra revealed the presence of major semi-crystalline β-PVDF along with α-phase which is responsible for ferroelectric nature in both the composite systems. Ferroelectric, dielectric and mechanical strength measurements were performed in order to evaluate the effects of CFO and PZT inorganic fillers in PVDF matrix. The inclusion of CFO and PZT micro-/nano-particles in PVDF polymer matrix improved the polarization behavior, dielectric properties and mechanical strength. The energy density was calculated by polarization-electric field hysteresis loop and found in the range of 6–8 J/cm{sup 3} may be useful for microelectronics. - Graphical abstract: Large area PVDF-PZT-CFO nano- and micro-composite films have been fabricated for high energy density storage flexible capacitor. Presence of nanocrystalline PZT and CFO particles in polymer matrix significantly enhanced their energy density capacity. - Highlights: • Physical interaction of cobalt iron oxide with polymer matrix results β-PVDF phase. • Evidence of Micro and Nano crystalline CFO and PZT fillers in polymer matrix. • The CFO and PZT fillers provide better mechanical strength to composite films. • PVDF-ceramic nanocomposites show low leakage behavior for high electric field.

Prompt charmonia production and polarization at LHC in the NRQCD with k{sub T}-factorization. Part I: ψ(2S) meson

Energy Technology Data Exchange (ETDEWEB)

Baranov, S. P. [P.N. Lebedev Physics Institute, 119991, Moscow (Russian Federation); Lipatov, A. V., E-mail: lipatov@theory.sinp.msu.ru [Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, 119991, Moscow (Russian Federation); Joint Institute for Nuclear Research, 141980, Dubna, Moscow Region (Russian Federation); Zotov, N. P., E-mail: 4lipatov@theory.sinp.msu.ru [Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, 119991, Moscow (Russian Federation)

2015-09-28

In the framework of the k{sub T}-factorization approach, the production and polarization of prompt ψ(2S) mesons in pp collisions at LHC energies is studied. Our consideration is based on the non-relativistic QCD formalism for bound states and off-shell amplitudes for hard partonic subprocesses. The transverse momentum dependent (unintegrated) gluon densities in a proton were derived from the Ciafaloni–Catani–Fiorani–Marchesini evolution equation or, alternatively, were chosen in accordance with the Kimber–Martin–Ryskin prescription. The non-perturbative color-octet matrix elements were first deduced from the fits to the latest CMS data on ψ(2S) transverse momentum distributions and then applied to describe the ATLAS and LHCb data on ψ(2S) production and polarization at √s=7 TeV. We perform the estimation of the polarization parameters λ{sub θ}, λ{sub ϕ}, and λ{sub θϕ}, which determine the ψ(2S) spin density matrix and demonstrate that taking into account the off-shellness of the initial gluons in the color-octet contributions leads to unpolarized ψ(2S) production at high transverse momenta, in qualitative agreement with the LHC data.

Prompt charmonia production and polarization at LHC in the NRQCD with k{sub T}-factorization. Pt. I. ψ(2S) meson

Energy Technology Data Exchange (ETDEWEB)

Baranov, S.P. [P.N. Lebedev Physics Instiute, Moscow (Russian Federation); National Research Univ., Moscow (Russian Federation). Higher School of Economics; Lipatov, A.V. [Moscow State Univ. (Russian Federation). Skobeltsyn Inst. of Nuclear Physics; Joint Institute for Nuclear Research, Dubna (Russian Federation); Zotov, N.P. [Moscow State Univ. (Russian Federation). Skobeltsyn Inst. of Nuclear Physics

2015-09-15

In the framework of k{sub t}-factorization approach, the production and polarization of prompt ψ(2S) mesons in pp collisions at the LHC energies is studied. Our consideration is based on the non-relativistic QCD formalism for bound states and off-shell amplitudes for hard partonic subprocesses. The transverse momentum dependent (unintegrated) gluon densities in a proton were derived from Ciafaloni-Catani-Fiorani-Marchesini evolution equation or, alternatively, were chosen in accordance with Kimber-Martin-Ryskin prescription. The non-perturbative color-octet matrix elements were first deduced from the fits to the latest CMS data on ψ(2S) transverse momentum distributions and then applied to describe the ATLAS and LHCb data on ψ(2S) production and polarization at √(s)=7 TeV. We perform the estimation of polarization parameters λ{sub θ}, λ{sub φ} and λ{sub θφ} which determine ψ(2S) spin density matrix and demonstrate that taking into account the off-shellness of initial gluons in the color-octet contributions leads to unpolarized ψ(2S) production at high transverse momenta, that is in qualitative agreement with the LHC data.

Floating matrix tablets based on low density foam powder: effects of formulation and processing parameters on drug release.

Science.gov (United States)

Streubel, A; Siepmann, J; Bodmeier, R

2003-01-01

The aim of this study was to develop and physicochemically characterize single unit, floating controlled drug delivery systems consisting of (i). polypropylene foam powder, (ii). matrix-forming polymer(s), (iii). drug, and (iv). filler (optional). The highly porous foam powder provided low density and, thus, excellent in vitro floating behavior of the tablets. All foam powder-containing tablets remained floating for at least 8 h in 0.1 N HCl at 37 degrees C. Different types of matrix-forming polymers were studied: hydroxypropyl methylcellulose (HPMC), polyacrylates, sodium alginate, corn starch, carrageenan, gum guar and gum arabic. The tablets eroded upon contact with the release medium, and the relative importance of drug diffusion, polymer swelling and tablet erosion for the resulting release patterns varied significantly with the type of matrix former. The release rate could effectively be modified by varying the "matrix-forming polymer/foam powder" ratio, the initial drug loading, the tablet geometry (radius and height), the type of matrix-forming polymer, the use of polymer blends and the addition of water-soluble or water-insoluble fillers (such as lactose or microcrystalline cellulose). The floating behavior of the low density drug delivery systems could successfully be combined with accurate control of the drug release patterns.

Spin exchange in polarized deuterium

International Nuclear Information System (INIS)

Przewoski, B. von; Meyer, H.O.; Balewski, J.; Doskow, J.; Ibald, R.; Pollock, R.E.; Rinckel, T.; Wellinghausen, A.; Whitaker, T.J.; Daehnick, W.W.; Haeberli, W.; Schwartz, B.; Wise, T.; Lorentz, B.; Rathmann, F.; Pancella, P.V.; Saha, Swapan K.; Thoerngren-Engblom, P.

2003-01-01

We have measured the vector and tensor polarization of an atomic deuterium target as a function of the target density. The polarized deuterium was produced in an atomic beam source and injected into a storage cell. For this experiment, the atomic beam source was operated without rf transitions, in order to avoid complications from the unknown efficiency of these transitions. In this mode, the atomic beam is vector and tensor polarized and both polarizations can be measured simultaneously. We used a 1.2-cm-diam and 27-cm-long storage cell, which yielded an average target density between 3 and 9x10 11 at/cm 3 . We find that the tensor polarization decreases with increasing target density while the vector polarization remains constant. The data are in quantitative agreement with the calculated effect of spin exchange between deuterium atoms at low field

Phase transition for a uniformly frustrated 19-vertex model by use of the density matrix renormalization group

International Nuclear Information System (INIS)

Honda, Yasushi; Horiguchi, Tsuyoshi

2001-01-01

We investigate a uniformly frustrated 19-vertex model with an anisotropy parameter η by use of the density matrix renormalization group for the transfer matrix for 0.6≤η≤1.3. The scaling dimension x is calculated from eigenvalues of the transfer matrix for several values η. The finite-size scaling analyses with a logarithmic correction are carried out in order to determine transition temperatures. It is found that there are two kinds of phase transitions, although there is a possibility of a single transition. This result is not compatible with the result for the uniformly frustrated XY model

Storm-enhanced plasma density and polar tongue of ionization development during the 15 May 2005 superstorm

Science.gov (United States)

Horvath, Ildiko; Lovell, Brian C.

2015-06-01

We investigate the ionosphere's global response to the 15 May 2005 superstorm in terms of storm evolution and ionospheric electrodynamics. Our aim is to study the global distribution of plasma and the resultant large-scale ionospheric features including the equatorial ionization anomaly (EIA), storm-enhanced density (SED), and polar tongue of ionization (TOI). We have combined multi-instrument ionospheric data, solar and terrestrial magnetic data, and polar convection maps. Results reveal the prompt penetration of the interplanetary electric field to the polar region and then to the equator with a dusk-to-dawn polarity during the initial phase and with a dawn-to-dusk polarity during the main phase. This drove during the initial phase a weak eastward equatorial electrojet (EEJ) in the American sector at nighttime and a weak westward EEJ in the Indian-Australian sector at daytime. During the main phase, these EEJs intensified and changed polarities. SED and polar TOI development was observed prior to and during the initial phase at evening-premidnight hours over North America and during the main phase in the south at afternoon-evening hours in the Australian sector. During the main phase and early in the recovery phase, the EIA-SED structure was well formed in the Asian longitude sector. Then, polar TOI development was absent in the north because of the long distance from the magnetic pole but was supported in the south because of the closeness of daytime cusp and magnetic pole. Thus, the EIA-SED-TOI structure developed twice but each time in a different longitude sector and with different characteristics.

Mapping of the atomic hydrogen density in combustion processes at atmospheric pressure by two-photon polarization spectroscopy

International Nuclear Information System (INIS)

Steiger, A.; Gruetzmacher, K.; Steiger, M.; Gonzalo, A.B.; Rosa, M.I. de la

2001-01-01

With laser spectroscopic techniques used so far, quantitative measurements of atomic number densities in flames and other combustion processes at atmospheric pressure yield no satisfying results because high quenching rates remarkably reduce the signal size and the results suffer from large uncertainties. Whereas, two-photon polarization spectroscopy is not limited by quenching, as the polarization signal is a direct measure of the two-photon absorption. This sensitive laser technique with high spatial and temporal resolution has been applied to determine absolute number densities and the kinetic temperatures of atomic hydrogen in flames for the first time. The great potential of this method of measurement comes into its own only in conjunction with laser radiation of highest possible spectral quality, i.e. single-frequency ns-pulses with peak irradiance of up to 1 GW/cm 2 tunable around 243 nm for 1S-2S two-photon transition of atomic hydrogen

Structured decomposition design of partial Mueller matrix polarimeters.

Science.gov (United States)

Alenin, Andrey S; Scott Tyo, J

2015-07-01

Partial Mueller matrix polarimeters (pMMPs) are active sensing instruments that probe a scattering process with a set of polarization states and analyze the scattered light with a second set of polarization states. Unlike conventional Mueller matrix polarimeters, pMMPs do not attempt to reconstruct the entire Mueller matrix. With proper choice of generator and analyzer states, a subset of the Mueller matrix space can be reconstructed with fewer measurements than that of the full Mueller matrix polarimeter. In this paper we consider the structure of the Mueller matrix and our ability to probe it using a reduced number of measurements. We develop analysis tools that allow us to relate the particular choice of generator and analyzer polarization states to the portion of Mueller matrix space that the instrument measures, as well as develop an optimization method that is based on balancing the signal-to-noise ratio of the resulting instrument with the ability of that instrument to accurately measure a particular set of desired polarization components with as few measurements as possible. In the process, we identify 10 classes of pMMP systems, for which the space coverage is immediately known. We demonstrate the theory with a numerical example that designs partial polarimeters for the task of monitoring the damage state of a material as presented earlier by Hoover and Tyo [Appl. Opt.46, 8364 (2007)10.1364/AO.46.008364APOPAI1559-128X]. We show that we can reduce the polarimeter to making eight measurements while still covering the Mueller matrix subspace spanned by the objects.

A parton shower based on factorization of the quantum density matrix

International Nuclear Information System (INIS)

Nagy, Zoltan; Soper, Davison E.

2014-01-01

We present rst results from a new parton shower event generator, DEDUCTOR. Anticipating a need for an improved treatment of parton color and spin, the structure of the generator is based on the quantum density matrix in color and spin space. So far, DEDUCTOR implements only a standard spin-averaged treatment of spin in parton splittings. Although DEDUCTOR implements an improved treatment of color, in this paper we present results in the standard leading color approximation so that we can compare to the generator PYTHIA. The algorithms used incorporate a virtuality based shower ordering parameter and massive initial state bottom and charm quarks.

Factorization properties and their probabilistic interpretation in polarized electroproduction and annihilation processes

International Nuclear Information System (INIS)

Antoniadis, I.; Kounnas, C.

1981-01-01

We describe the factorization properties of polarized deep-inelastic and semi-inclusive annihilation structure functions in the Bjorken limit. We present a simple physical interpretation of the factorization results that relates the factorized quantities to the terms appearing in a decomposition of an effective spin-density matrix of a virtual quark. We give, through one-loop level, all the calculable quantities needed to parametrize the scaling violation of the structure functions in both spacelike and timelike processes

Dependence of matrix effect on ionization polarity during LC-ESI-MS analysis of derivatized amino acids in some natural samples.

Science.gov (United States)

Oldekop, Maarja-Liisa; Rebane, Riin; Herodes, Koit

2017-10-01

Matrix effect, the influence of co-eluting components on the ionization efficiency of the analyte, affects the trueness and precision of the LC-ESI-MS analysis. Derivatization can reduce or eliminate matrix effect, for example, diethyl ethoxymethylenemalonate (DEEMM) derivatives have shown less matrix effect compared to other derivatives. Moreover, the use of negative ion mode can further reduce matrix effect. In order to investigate the combination of derivatization and different ionization modes, an LC-ESI-MS/MS method using alternating positive/negative ion mode was developed and validated. The analyses in positive and negative ion modes had comparable limit of quantitation values. The influence of ESI polarity on matrix effect was investigated during the analysis of 22 DEEMM-derivatized amino acids in herbal extracts and honeys. Sample dilution approach was used for the evaluation of the presence of matrix effect. Altogether, 4 honeys and 11 herbal extracts were analyzed, and the concentrations of 22 amino acids in the samples are presented. In the positive ion mode, matrix effect was observed for several amino acid derivatives and the matrix effect was stronger in honey samples compared to the herbal extracts. The negative ion mode was free from matrix effect, with only few exceptions in honeys (average relative standard deviation over all analytes and matrices was 8%; SD = 7%). The matrix effect was eliminated in the positive ion mode by sample dilution and agreement between concentrations from the two ion modes was achieved for most amino acids. In conclusion, it was shown that the combination of derivatization and negative ion mode can be a powerful tool for minimizing matrix effect in more complicated applications.

Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

International Nuclear Information System (INIS)

Davies, M. J.; Dawson, P.; Hammersley, S.; Zhu, T.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A.

2016-01-01

We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10 11  cm −2  pulse −1 per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar, and is a function, specifically, of carrier density.

Development of the Tagger Microscope & Analysis of Spin Density Matrix Elements in gamma-p -> phi-p for the GlueX Experiment

Energy Technology Data Exchange (ETDEWEB)

Barnes, Alexander E. [Carnegie Mellon Univ., Pittsburgh, PA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

2017-05-31

The quark model has been successful in classifying the spectrum of mesons observed since the 1960s, however, it fails to explain some of the measured bound states. Lattice QCD predictions have shown that an excited gluonic field may contribute to the quantum numbers of the bound state and form hybrid mesons, qq-bar-g, where g is a constituent gluon. It is possible for some hybrids to possess quantum numbers forbidden by the quark model and are known as \\smoking gun" hybrids due to their lack of mixing with conventional qq-bar states. The GlueX photoproduction experiment at Jefferson Lab in Newport News, VA is designed to study hybrid mesons and to map their spectrum. A 12 GeV electron beam produces 9 GeV linearly polarized photons via coherent bremsstrahlung in a diamond radiator which are incident on a liquid H2 target. In order to determine the photon energy, the use of a tagging spectrometer which measures the energy of the post-bremsstrahlung electron is required. The tagger microscope is a scintillating fiber detector designed to measure the energy of electrons corresponding to the polarized photons. The main focus of this work is the design and construction of the tagger microscope electronics as well as the calibration of the microscope within the experiment. Additionally, the analysis of the reaction gamma-p -> phi-p, where phi (1020) -> K+K-, is discussed. This analysis provides a high-level calibration for GlueX in regards to understanding the acceptance and sensitivity of the detectors to mesons with strange quark content. By studying the phi with linearly polarized photons, information on the production mechanism can be extracted. The measurement of the phi spin-density matrix elements are shown and compared with past data which are found to be in agreement.

Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

International Nuclear Information System (INIS)

Ridder, Barbara; Foertsch, Tobias C.; Welle, Alexander; Mattes, Daniela S.; Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander; Meier, Michael A.R.; Breitling, Frank

2016-01-01

Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm"2. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm"2, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

Energy Technology Data Exchange (ETDEWEB)

Ridder, Barbara [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Foertsch, Tobias C. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Welle, Alexander [Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Mattes, Daniela S. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Meier, Michael A.R., E-mail: m.a.r.meier@kit.edu [Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Breitling, Frank, E-mail: frank.breitling@kit.edu [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

2016-12-15

Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm{sup 2}. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm{sup 2}, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

Unpolarized and polarized parton densities in term of Fermi-Dirac distributions

International Nuclear Information System (INIS)

Bourrely, C.

1996-01-01

A description of quark parton densities of the proton in terms of Fermi-Dirac distributions parametrized with very few parameters is given. It allows a fair description of the NMC, BCDMS, SLAC and HERA data on F 2 p (x,Q 2 ) in a broad range of x and Q 2 . With some simple assumptions unpolarized and polarized quark parton distributions are related which lead to a fair description of the spin-dependent structure functions xg 1 p (x,Q 2 ) and xg 1 n (x,Q 2 ). Finally, several predictions are presented for lepton pair and gauge boson production in pp collisions at energies accessible in the future at RHIC. (author)

Charge-constrained auxiliary-density-matrix methods for the Hartree–Fock exchange contribution

DEFF Research Database (Denmark)

Merlot, Patrick; Izsak, Robert; Borgoo, Alex

2014-01-01

Three new variants of the auxiliary-density-matrix method (ADMM) of Guidon, Hutter, and VandeVondele [J. Chem. Theory Comput. 6, 2348 (2010)] are presented with the common feature thatthey have a simplified constraint compared with the full orthonormality requirement of the earlier ADMM1 method. ....... All ADMM variants are tested for accuracy and performance in all-electron B3LYP calculations with several commonly used basis sets. The effect of the choice of the exchange functional for the ADMM exchange–correction term is also investigated....

Generalized nuclear Fukui functions in the framework of spin-polarized density-functional theory

International Nuclear Information System (INIS)

Chamorro, E.; Proft, F. de; Geerlings, P.

2005-01-01

An extension of Cohen's nuclear Fukui function is presented in the spin-polarized framework of density-functional theory (SP-DFT). The resulting new nuclear Fukui function indices Φ Nα and Φ Sα are intended to be the natural descriptors for the responses of the nuclei to changes involving charge transfer at constant multiplicity and also the spin polarization at constant number of electrons. These generalized quantities allow us to gain new insights within a perturbative scheme based on DFT. Calculations of the electronic and nuclear SP-DFT quantities are presented within a Kohn-Sham framework of chemical reactivity for a sample of molecules, including H 2 O, H 2 CO, and some simple nitrenes (NX) and phosphinidenes (PX), with X=H, Li, F, Cl, OH, SH, NH 2 , and PH 2 . Results have been interpreted in terms of chemical bonding in the context of Berlin's theorem, which provides a separation of the molecular space into binding and antibinding regions

Prompt charmonia production and polarization at LHC in the NRQCD with k{sub T}-factorization. Pt. III. J/ψ meson

Energy Technology Data Exchange (ETDEWEB)

Baranov, S.P. [P.N. Lebedev Physics Instiute, Moscow (Russian Federation); Lipatov, A.V. [Lomonosov Moscow State Univ., Moscow (Russian Federation). Skobeltsyn Inst. of Nuclear Physics; Joint Institute for Nuclear Research, Dubna (Russian Federation)

2016-12-01

In the framework of k{sub T}-factorization approach, the production and polarization of prompt J/ψ mesons at the LHC energies is studied. Our consideration is based on the non-relativistic QCD formalism for bound states and off-shell amplitudes for hard partonic subprocesses. Both the direct production mechanism and feed-down contributions from χ{sub c} and ψ(2S) decays are taken into account. The transverse momentum dependent (or unintegrated) gluon densities in a proton were derived from Ciafaloni-Catani-Fiorani-Marchesini evolution equation or, alternatively, were chosen in accordance with Kimber-Martin-Ryskin prescription. The non-perturbative color-octet matrix elements were first deduced from the fits to the latest CMS data on J/ψ transverse momentum distributions and then applied to describe the ATLAS and LHCb data on J/ψ production and polarization at √(s)=7, 8 and 13 TeV. We perform an estimation of polarization parameters λ{sub θ}, λ{sub φ} and λ{sub θφ} which determine J/ψ spin density matrix and demonstrate that treating the soft gluon emission as a series of explicit color-electric dipole transitions within NRQCD leads to unpolarized J/ψ production at high transverse momenta, that is in qualitative agreement with the LHC data.

Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Davies, M. J.; Dawson, P.; Hammersley, S. [School of Physics and Astronomy, Photon Science Institute, University of Manchester, M13 9PL Manchester (United Kingdom); Zhu, T.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A. [Department of Material Science and Metallurgy, 27 Charles Babbage Road, University of Cambridge, Cambridge CB3 0FS (United Kingdom)

2016-06-20

We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10{sup 11 }cm{sup −2 }pulse{sup −1} per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar, and is a function, specifically, of carrier density.

Perturbation theory corrections to the two-particle reduced density matrix variational method.

Science.gov (United States)

Juhasz, Tamas; Mazziotti, David A

2004-07-15

In the variational 2-particle-reduced-density-matrix (2-RDM) method, the ground-state energy is minimized with respect to the 2-particle reduced density matrix, constrained by N-representability conditions. Consider the N-electron Hamiltonian H(lambda) as a function of the parameter lambda where we recover the Fock Hamiltonian at lambda=0 and we recover the fully correlated Hamiltonian at lambda=1. We explore using the accuracy of perturbation theory at small lambda to correct the 2-RDM variational energies at lambda=1 where the Hamiltonian represents correlated atoms and molecules. A key assumption in the correction is that the 2-RDM method will capture a fairly constant percentage of the correlation energy for lambda in (0,1] because the nonperturbative 2-RDM approach depends more significantly upon the nature rather than the strength of the two-body Hamiltonian interaction. For a variety of molecules we observe that this correction improves the 2-RDM energies in the equilibrium bonding region, while the 2-RDM energies at stretched or nearly dissociated geometries, already highly accurate, are not significantly changed. At equilibrium geometries the corrected 2-RDM energies are similar in accuracy to those from coupled-cluster singles and doubles (CCSD), but at nonequilibrium geometries the 2-RDM energies are often dramatically more accurate as shown in the bond stretching and dissociation data for water and nitrogen. (c) 2004 American Institute of Physics.

Differentiating characteristic microstructural features of cancerous tissues using Mueller matrix microscope.

Science.gov (United States)

Wang, Ye; He, Honghui; Chang, Jintao; Zeng, Nan; Liu, Shaoxiong; Li, Migao; Ma, Hui

2015-12-01

Polarized light imaging can provide rich microstructural information of samples, and has been applied to the detections of various abnormal tissues. In this paper, we report a polarized light microscope based on Mueller matrix imaging by adding the polarization state generator and analyzer (PSG and PSA) to a commercial transmission optical microscope. The maximum errors for the absolute values of Mueller matrix elements are reduced to 0.01 after calibration. This Mueller matrix microscope has been used to examine human cervical and liver cancerous tissues with fibrosis. Images of the transformed Mueller matrix parameters provide quantitative assessment on the characteristic features of the pathological tissues. Contrast mechanism of the experimental results are backed up by Monte Carlo simulations based on the sphere-cylinder birefringence model, which reveal the relationship between the pathological features in the cancerous tissues at the cellular level and the polarization parameters. Both the experimental and simulated data indicate that the microscopic transformed Mueller matrix parameters can distinguish the breaking down of birefringent normal tissues for cervical cancer, or the formation of birefringent surrounding structures accompanying the inflammatory reaction for liver cancer. With its simple structure, fast measurement and high precision, polarized light microscope based on Mueller matrix shows a good diagnosis application prospect. Copyright © 2015 Elsevier Ltd. All rights reserved.

Matrix density alters zyxin phosphorylation, which limits peripheral process formation and extension in endothelial cells invading 3D collagen matrices.

Science.gov (United States)

Abbey, Colette A; Bayless, Kayla J

2014-09-01

This study was designed to determine the optimal conditions required for known pro-angiogenic stimuli to elicit successful endothelial sprouting responses. We used an established, quantifiable model of endothelial cell (EC) sprout initiation where ECs were tested for invasion in low (1 mg/mL) and high density (5 mg/mL) 3D collagen matrices. Sphingosine 1-phosphate (S1P) alone, or S1P combined with stromal derived factor-1α (SDF) and phorbol ester (TPA), elicited robust sprouting responses. The ability of these factors to stimulate sprouting was more effective in higher density collagen matrices. S1P stimulation resulted in a significant increase in invasion distance, and with the exception of treatment groups containing phorbol ester, invasion distance was longer in 1mg/mL compared to 5mg/mL collagen matrices. Closer examination of cell morphology revealed that increasing matrix density and supplementing with SDF and TPA enhanced the formation of multicellular structures more closely resembling capillaries. TPA enhanced the frequency and size of lumen formation and correlated with a robust increase in phosphorylation of p42/p44 Erk kinase, while S1P and SDF did not. Also, a higher number of significantly longer extended processes formed in 5mg/mL compared to 1mg/mL collagen matrices. Because collagen matrices at higher density have been reported to be stiffer, we tested for changes in the mechanosensitive protein, zyxin. Interestingly, zyxin phosphorylation levels inversely correlated with matrix density, while levels of total zyxin did not change significantly. Immunofluorescence and localization studies revealed that total zyxin was distributed evenly throughout invading structures, while phosphorylated zyxin was slightly more intense in extended peripheral processes. Silencing zyxin expression increased extended process length and number of processes, while increasing zyxin levels decreased extended process length. Altogether these data indicate that ECs

First principles calculations using density matrix divide-and-conquer within the SIESTA methodology

International Nuclear Information System (INIS)

Cankurtaran, B O; Gale, J D; Ford, M J

2008-01-01

The density matrix divide-and-conquer technique for the solution of Kohn-Sham density functional theory has been implemented within the framework of the SIESTA methodology. Implementation details are provided where the focus is on the scaling of the computation time and memory use, in both serial and parallel versions. We demonstrate the linear-scaling capabilities of the technique by providing ground state calculations of moderately large insulating, semiconducting and (near-) metallic systems. This linear-scaling technique has made it feasible to calculate the ground state properties of quantum systems consisting of tens of thousands of atoms with relatively modest computing resources. A comparison with the existing order-N functional minimization (Kim-Mauri-Galli) method is made between the insulating and semiconducting systems

Theory of sum-frequency generation spectroscopy of adsorbed molecules using the density matrix method-broadband vibrational sum-frequency generation and applications

International Nuclear Information System (INIS)

Bonn, M; Ueba, H; Wolf, M

2005-01-01

A generalized theory of frequency- and time-resolved vibrational sum-frequency generation (SFG) spectroscopy of adsorbates at surfaces is presented using the density matrix formalism. Our theoretical treatment is specifically aimed at addressing issues that accompany the relatively novel SFG approach using broadband infrared pulses. The ultrashort duration of these pulses makes them ideally suited for time-resolved investigations, for which we present a complete theoretical treatment. A second key characteristic of these pulses is their large bandwidth and high intensity, which allow for highly non-linear effects, including vibrational ladder climbing of surface vibrations. We derive general expressions relating the density matrix to SFG spectra, and apply these expressions to specific experimental results by solving the coupled optical Bloch equations of the density matrix elements. Thus, we can theoretically reproduce recent experimentally demonstrated hot band SFG spectra using femtosecond broadband infrared excitation of carbon monoxide (CO) on a Ru(001) surface

Reduction of coating induced polarization aberrations by controlling the polarization state variation

International Nuclear Information System (INIS)

Li, Yanghui; Shen, Weidong; Zheng, Zhenrong; Zhang, Yueguang; Liu, Xu; Hao, Xiang

2011-01-01

The mechanism of coating induced polarization state variation is analysed by the Jones matrix. Pauli spin matrices are used to establish the relationship between coating induced polarization state variation and polarization aberrations. To reduce coating induced polarization aberrations, we propose that δ = 0 and T s = T p at arbitrary incident angle should be appended as two additional optimization goals of optical coating design when the requirements of transmittance are met. Two typical anti-reflection (AR) coatings are designed and the polarization state variation induced by them is simulated. The MTF (modulation transfer function) calculated by polarization ray tracing is applied to evaluate the polarization aberrations of the practical lithography objective system with the two AR coatings. All the obtained results show that the coating induced polarization aberrations can be reduced by optimizing the angle dependent properties of the optical coating without additional optical elements

Regional polarization sensitivity of articular cartilage by using polarization sensitive optical coherence tomography

Science.gov (United States)

Xie, Tuqiang; Guo, Shuguang; Chen, Zhongping; Peavy, George M.

2007-02-01

In this study, PS-OCT is used to image fresh bovine joints to investigate the orientation of collagen fibrils in relation to optical phase retardation to better understand the distribution of normal matrix orientation and articular cartilage birefringence in different regions of a whole joint. Understanding and mapping variations in matrix organization and orientation within the normal joint is an important issue in potential applications of PS-OCT for evaluation and diagnosis of degenerative joint disease (DJD). The experimental results demonstrate that articular cartilage is not polarization sensitive on the edge of the medial, but polarization sensitive on the lateral edge of the tibial plateau. The collagen orientation on the edge of the joint is different from the central areas of the joint. Normal articular cartilage demonstrates regional polarization sensitivity within joints that is important to understand in order to accurately assess cartilage health by PS-OCT.

Polarization transfer in x-ray transitions due to photoionization in highly charged copper-like ions

Science.gov (United States)

Ma, Kun; Chen, Zhan-Bin; Xie, Lu-You; Dong, Chen-Zhong

2018-02-01

Using the density matrix theory and the multi-configuration Dirac-Fock method, the 3{d}3/2 subshell photoionization of highly charged ions is studied, together with their subsequent radiative decay. The effects of polarization transfer on the linear polarization and angular distribution of the 3{d}94{s}2{}2{D}3/2\\to 3{d}104p{}2{P}1/2 characteristic line photoemission for selected Cu-like Zn+, Ba27+, {{{W}}}45+, and {{{U}}}63+ ions are investigated. Our results show that the polarization transfer, arising from the originally polarized incident light, may lead to a considerable change in the alignment parameters and the polarization properties of the radiation, the character of which is highly sensitive to the initial photon polarization, yet virtually independent of the photon energy. These characteristics are very similar to those of the electron bremsstrahlung process reported by Märtin et al (2012 Phys. Rev. Lett. 108 264801). The present results are compared with available experimental results and show a good quantitative agreement.

Partial Polarization in Interfered Plasmon Fields

Directory of Open Access Journals (Sweden)

P. Martínez Vara

2014-01-01

Full Text Available We describe the polarization features for plasmon fields generated by the interference between two elemental surface plasmon modes, obtaining a set of Stokes parameters which allows establishing a parallelism with the traditional polarization model. With the analysis presented, we find the corresponding coherence matrix for plasmon fields incorporating to the plasmon optics the study of partial polarization effects.

Density-Imbalance Stability Diagram of the νT = 1 Bilayer Electron System at Full Spin Polarization

International Nuclear Information System (INIS)

Takase, Keiko; Muraki, Koji

2011-01-01

We investigate the evolution of the total Landau level filling factor ν T = 1 bilayer quantum Hall (QH) state versus density imbalance at full spin polarization under a tilted magnetic field. When the system is well below the compressible-incompressible transition point at the balanced density, the ν T = 1 QH state extends widely versus density imbalance, continuously merging into the single-layer ν = 1 QH state. In the vicinity of the transition point, the ν T = 1 QH state is only weakly developed at small imbalance but increases in strength toward ν T = 1/3 + 2/3, where it is clearly separated from the single-layer ν = 1 QH state. These results suggest that the system at the imbalance of Δν = 1/3 undergoes a transition from the correlated ν T = 1 QH state to single-layer fractional QH states with increasing density.

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.

Applications of density matrix in the fractional quantum mechanics: Thomas-Fermi model and Hohenberg-Kohn theorems revisited

International Nuclear Information System (INIS)

Dong, Jianping

2011-01-01

The many-body space fractional quantum system is studied using the density matrix method. We give the new results of the Thomas-Fermi model, obtain the quantum pressure of the free electron gas. We also show the validity of the Hohenberg-Kohn theorems in the space fractional quantum mechanics and generalize the density functional theory to the fractional quantum mechanics. -- Highlights: → Thomas-Fermi model under the framework of fractional quantum mechanics is studied. → We show the validity of the HK theorems in the space fractional quantum mechanics. → The density functional theory is generalized to the fractional quantum mechanics.

Self-consistent RPA and the time-dependent density matrix approach

Energy Technology Data Exchange (ETDEWEB)

Schuck, P. [Institut de Physique Nucleaire, Orsay (France); CNRS et Universite Joseph Fourier, Laboratoire de Physique et Modelisation des Milieux Condenses, Grenoble (France); Tohyama, M. [Kyorin University School of Medicine, Mitaka, Tokyo (Japan)

2016-10-15

The time-dependent density matrix (TDDM) or BBGKY (Bogoliubov, Born, Green, Kirkwood, Yvon) approach is decoupled and closed at the three-body level in finding a natural representation of the latter in terms of a quadratic form of two-body correlation functions. In the small amplitude limit an extended RPA coupled to an also extended second RPA is obtained. Since including two-body correlations means that the ground state cannot be a Hartree-Fock state, naturally the corresponding RPA is upgraded to Self-Consistent RPA (SCRPA) which was introduced independently earlier and which is built on a correlated ground state. SCRPA conserves all the properties of standard RPA. Applications to the exactly solvable Lipkin and the 1D Hubbard models show good performances of SCRPA and TDDM. (orig.)

Electrical characterization of polymer matrix — TiO2 filler composites through isothermal polarization / depolarization currents and I-V tests

Science.gov (United States)

Stavrakas, Ilias; Triantis, Dimos; Hloupis, George; Moutzouris, Konstantinos

2014-04-01

Specimens of polymer matrix — ceramic TiO2 filler composites were prepared. The contribution of the filler content on the electrical conductivity and energy storage properties of the samples was examined. I-V and Isothermal Polarization/Depolarization Current (IPC/IDC) measurements were conducted. Dc conductivity values directly calculated from the I-V curves exhibited excellent agreement with corresponding values derived from the IPC/IDC recordings. Standard models were employed for fitting the IPC/IDC data. In specific, the short and the very long depolarization times were fitted by use of power laws of different slopes, while the intermediate depolarization times were fitted as a sum of three exponential decays. The present study reveals a strong dependence of the depolarization and polarization processes, as well as of the dc conductivity, on the filler concentration.

Three-dimensional polarization algebra.

Science.gov (United States)

R Sheppard, Colin J; Castello, Marco; Diaspro, Alberto

2016-10-01

If light is focused or collected with a high numerical aperture lens, as may occur in imaging and optical encryption applications, polarization should be considered in three dimensions (3D). The matrix algebra of polarization behavior in 3D is discussed. It is useful to convert between the Mueller matrix and two different Hermitian matrices, representing an optical material or system, which are in the literature. Explicit transformation matrices for converting the column vector form of these different matrices are extended to the 3D case, where they are large (81×81) but can be generated using simple rules. It is found that there is some advantage in using a generalization of the Chandrasekhar phase matrix treatment, rather than that based on Gell-Mann matrices, as the resultant matrices are of simpler form and reduce to the two-dimensional case more easily. Explicit expressions are given for 3D complex field components in terms of Chandrasekhar-Stokes parameters.

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.

Density matrix of strongly coupled quantum dot - microcavity system

International Nuclear Information System (INIS)

Nguyen Van Hop

2009-01-01

Any two-level quantum system can be used as a quantum bit (qubit) - the basic element of all devices and systems for quantum information and quantum computation. Recently it was proposed to study the strongly coupled system consisting of a two-level quantum dot and a monoenergetic photon gas in a microcavity-the strongly coupled quantum dot-microcavity (QD-MC) system for short, with the Jaynes-Cumming total Hamiltonian, for the application in the quantum information processing. Different approximations were applied in the theoretical study of this system. In this work, on the basis of the exact solution of the Schrodinger equation for this system without dissipation we derive the exact formulae for its density matrix. The realization of a qubit in this system is discussed. The solution of the system of rate equation for the strongly coupled QD-MC system in the presence of the interaction with the environment was also established in the first order approximation with respect to this interaction.

Nonlinear Gyrokinetic Theory With Polarization Drift

International Nuclear Information System (INIS)

Wang, L.; Hahm, T.S.

2010-01-01

A set of the electrostatic toroidal gyrokinetic Vlasov equation and the Poisson equation, which explicitly includes the polarization drift, is derived systematically by using Lie-transform method. The polarization drift is introduced in the gyrocenter equations of motion, and the corresponding polarization density is derived. Contrary to the wide-spread expectation, the inclusion of the polarization drift in the gyrocenter equations of motion does not affect the expression for the polarization density significantly. This is due to modification of the gyrocenter phase-space volume caused by the electrostatic potential [T. S. Hahm, Phys. Plasmas 3, 4658 (1996)].

Optically pumped polarized H- ion source

International Nuclear Information System (INIS)

Anderson, L.W.

1986-01-01

The current status and future prospects for the optically pumped polarized H - ion source are discussed. At the present time H - ion currents of 60 μA and with a polarization of 65% have been produced. The ion current and polarization can be increased significantly if the optically pumped Na charge exchange target density and polarization can be increased. Studies of wall surfaces that permit many bounces before depolarizing the Na electron spin and studies of radiation trapping in optically pumped Na indicate that the Na target density and polarization can be increased substantially. 27 refs., 6 figs., 2 tabs

Bone Mineral 31P and Matrix-Bound Water Densities Measured by Solid-State 1H and 31P MRI

Science.gov (United States)

Seifert, Alan C.; Li, Cheng; Rajapakse, Chamith S.; Bashoor- Zadeh, Mahdieh; Bhagat, Yusuf A.; Wright, Alexander C.; Zemel, Babette S.; Zavaliangos, Antonios; Wehrli, Felix W.

2014-01-01

Bone is a composite material consisting of mineral and hydrated collagen fractions. MRI of bone is challenging due to extremely short transverse relaxation times, but solid-state imaging sequences exist that can acquire the short-lived signal from bone tissue. Previous work to quantify bone density via MRI used powerful experimental scanners. This work seeks to establish the feasibility of MRI-based measurement on clinical scanners of bone mineral and collagen-bound water densities, the latter as a surrogate of matrix density, and to examine the associations of these parameters with porosity and donors’ age. Mineral and matrix-bound water images of reference phantoms and cortical bone from 16 human donors, ages 27-97 years, were acquired by zero-echo-time 31P and 1H MRI on whole body 7T and 3T scanners, respectively. Images were corrected for relaxation and RF inhomogeneity to obtain density maps. Cortical porosity was measured by micro-CT, and apparent mineral density by pQCT. MRI-derived densities were compared to x-ray-based measurements by least-squares regression. Mean bone mineral 31P density was 6.74±1.22 mol/L (corresponding to 1129±204 mg/cc mineral), and mean bound water 1H density was 31.3±4.2 mol/L (corresponding to 28.3±3.7 %v/v). Both 31P and bound water (BW) densities were correlated negatively with porosity (31P: R2 = 0.32, p bone mineralization ratio (expressed here as the ratio of 31P density to bound water density), which is proportional to true bone mineralization, was found to be uncorrelated with porosity, age, or pQCT density. This work establishes the feasibility of image-based quantification of bone mineral and bound water densities using clinical hardware. PMID:24846186

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

Energy Technology Data Exchange (ETDEWEB)

Bury, Marcin; Hameren, Andreas van; Kutak, Krzysztof; Sapeta, Sebastian [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); Jung, Hannes [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); DESY, Hamburg (Germany); Serino, Mirko [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); Ben Gurion University of the Negev, Department of Physics, Beersheba (Israel)

2018-02-15

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{sub 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. (orig.)

Near-infrared Mueller matrix imaging for colonic cancer detection

Science.gov (United States)

Wang, Jianfeng; Zheng, Wei; Lin, Kan; Huang, Zhiwei

2016-03-01

Mueller matrix imaging along with polar decomposition method was employed for the colonic cancer detection by polarized light in the near-infrared spectral range (700-1100 nm). A high-speed (colonic tissues (i.e., normal and caner) were acquired. Polar decomposition was further implemented on the 16 images to derive the diattentuation, depolarization, and the retardance images. The decomposed images showed clear margin between the normal and cancerous colon tissue samples. The work shows the potential of near-infrared Mueller matrix imaging for the early diagnosis and detection of malignant lesions in the colon.

Spatial charge motion on an uniform density matrix-general equations in opened and closed circuits

International Nuclear Information System (INIS)

Aguiar Monsanto, S. de.

1983-01-01

The motion of a space charge cloud embedded in a matrix of constant immobile charge density is studied in open as well as in closed circuit. In the first case, open circuit, the solution is almost trivial as compared as the other one in which, after some work, the problem is reduced to an ordinary differential equation. The method of solution is parallel to that employed in the study of monopolar free space charge motion. The voltage and the current produced by a system with no net charge but with unbalanced local charge density were calculated using the general equations derived in the first part of the work. (Author) [pt

Matrix theory selected topics and useful results

CERN Document Server

Mehta, Madan Lal

1989-01-01

Matrices and operations on matrices ; determinants ; elementary operations on matrices (continued) ; eigenvalues and eigenvectors, diagonalization of normal matrices ; functions of a matrix ; positive definiteness, various polar forms of a matrix ; special matrices ; matrices with quaternion elements ; inequalities ; generalised inverse of a matrix ; domain of values of a matrix, location and dispersion of eigenvalues ; symmetric functions ; integration over matrix variables ; permanents of doubly stochastic matrices ; infinite matrices ; Alexander matrices, knot polynomials, torsion numbers.

Consolidation of titanium matrix composites to maximum density by different hot pressing techniques

International Nuclear Information System (INIS)

Montealegre Melendez, I.; Neubauer, E.; Danninger, H.

2010-01-01

In this present work, TiMMCs were manufactured through conventional and inductive hot pressing techniques. The starting materials were two titanium based powders as metal matrices, and two types of reinforcements, carbon nanofibres and nano-micro-boron particles. After several manufacturing runs with varying parameters, especially, optimized hot pressing parameters, the titanium compacts were characterized. Density and hardness measurements, chemical analyses and microstructural studies were conducted. The two objectives of this work were achieved. On one hand the influence, in the properties of TiMMCs, of the starting materials as matrix powder and reinforcements was determined. Higher content of impurities from the starting materials affected the hardness and the microstructure of the composites, independently of the manufacturing process. On another hand, the study of variations of the manufacturing process as temperature of consolidation and soaking time was reported. Higher densification was obtained at higher consolidation temperature; however, reaction between the matrix and the carbonaceous reinforcement was detected.

Solar Illumination Control of the Polar Wind

Science.gov (United States)

Maes, L.; Maggiolo, R.; De Keyser, J.; André, M.; Eriksson, A. I.; Haaland, S.; Li, K.; Poedts, S.

2017-11-01

Polar wind outflow is an important process through which the ionosphere supplies plasma to the magnetosphere. The main source of energy driving the polar wind is solar illumination of the ionosphere. As a result, many studies have found a relation between polar wind flux densities and solar EUV intensity, but less is known about their relation to the solar zenith angle at the ionospheric origin, certainly at higher altitudes. The low energy of the outflowing particles and spacecraft charging means it is very difficult to measure the polar wind at high altitudes. We take advantage of an alternative method that allows estimations of the polar wind flux densities far in the lobes. We analyze measurements made by the Cluster spacecraft at altitudes from 4 up to 20 RE. We observe a strong dependence on the solar zenith angle in the ion flux density and see that both the ion velocity and density exhibit a solar zenith angle dependence as well. We also find a seasonal variation of the flux density.

Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theory.

Science.gov (United States)

Song, Lingchun; Han, Jaebeom; Lin, Yen-lin; Xie, Wangshen; Gao, Jiali

2009-10-29

The explicit polarization (X-Pol) method has been examined using ab initio molecular orbital theory and density functional theory. The X-Pol potential was designed to provide a novel theoretical framework for developing next-generation force fields for biomolecular simulations. Importantly, the X-Pol potential is a general method, which can be employed with any level of electronic structure theory. The present study illustrates the implementation of the X-Pol method using ab initio Hartree-Fock theory and hybrid density functional theory. The computational results are illustrated by considering a set of bimolecular complexes of small organic molecules and ions with water. The computed interaction energies and hydrogen bond geometries are in good accord with CCSD(T) calculations and B3LYP/aug-cc-pVDZ optimizations.

Planar cell polarity proteins differentially regulate extracellular matrix organization and assembly during zebrafish gastrulation.

Science.gov (United States)

Dohn, Michael R; Mundell, Nathan A; Sawyer, Leah M; Dunlap, Julie A; Jessen, Jason R

2013-11-01

Zebrafish gastrulation cell movements occur in the context of dynamic changes in extracellular matrix (ECM) organization and require the concerted action of planar cell polarity (PCP) proteins that regulate cell elongation and mediolateral alignment. Data obtained using Xenopus laevis gastrulae have shown that integrin-fibronectin interactions underlie the formation of polarized cell protrusions necessary for PCP and have implicated PCP proteins themselves as regulators of ECM. By contrast, the relationship between establishment of PCP and ECM assembly/remodeling during zebrafish gastrulation is unclear. We previously showed that zebrafish embryos carrying a null mutation in the four-pass transmembrane PCP protein vang-like 2 (vangl2) exhibit increased matrix metalloproteinase activity and decreased immunolabeling of fibronectin. These data implicated for the first time a core PCP protein in the regulation of pericellular proteolysis of ECM substrates and raised the question of whether other zebrafish PCP proteins also impact ECM organization. In Drosophila melanogaster, the cytoplasmic PCP protein Prickle binds Van Gogh and regulates its function. Here we report that similar to vangl2, loss of zebrafish prickle1a decreases fibronectin protein levels in gastrula embryos. We further show that Prickle1a physically binds Vangl2 and regulates both the subcellular distribution and total protein level of Vangl2. These data suggest that the ability of Prickle1a to impact fibronectin organization is at least partly due to effects on Vangl2. In contrast to loss of either Vangl2 or Prickle1a function, we find that glypican4 (a Wnt co-receptor) and frizzled7 mutant gastrula embryos with disrupted non-canonical Wnt signaling exhibit the opposite phenotype, namely increased fibronectin assembly. Our data show that glypican4 mutants do not have decreased proteolysis of ECM substrates, but instead have increased cell surface cadherin protein expression and increased intercellular

Connecting N-representability to Weyl's problem: the one-particle density matrix for N = 3 and R = 6

International Nuclear Information System (INIS)

Ruskai, Mary Beth

2007-01-01

An analytic proof of the necessity of the Borland-Dennis conditions for 3-representability of a one-particle density matrix with rank 6 is given. This may shed some light on Klyachko's recent use of Schubert calculus to find general conditions for N-representability. (fast track communication)

The determination of the Dirac density matrix of the d-dimensional harmonic oscillator for an arbitrary number of closed shells

International Nuclear Information System (INIS)

Howard, I.A.; March, N.H.; Nieto, L.M.

2002-01-01

In 1959, March and Young (Nucl. Phys. 12 237) rewrote the equation of motion for the Dirac density matrix γ(x, x 0 ) in terms of sum and difference variables. Here, γ(r-bar, r-bar 0 ) for the d-dimensional isotropic harmonic oscillator for an arbitrary number of closed shells is shown to satisfy, using the variables vertical bar r-bar + r-bar 0 vertical bar/2 and vertical bar r-bar - r-bar 0 vertical bar/2, a generalized partial differential equation embracing the March-Young equation for d=1. As applications, we take in turn the cases d=1, 2, 3 and 4, and obtain both the density matrix γ (r-bar, r-bar 0 ) and the diagonal density ρ(r)=γ(r-bar, r-bar 0 ) vertical bar r-bar 0 =r-bar, this diagonal element already being known to satisfy a third-order linear homogeneous differential equation for d=1 through 3. Some comments are finally made on the d-dimensional kinetic energy density, which is important for first-principles density functional theory in allowing one to bypass one-particle Schroedinger equations (the so-called Slater-Kohn-Sham equations). (author)

Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.

Science.gov (United States)

Saitow, Masaaki; Kurashige, Yuki; Yanai, Takeshi

2013-07-28

We report development of the multireference configuration interaction (MRCI) method that can use active space scalable to much larger size references than has previously been possible. The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry offers the ability to describe static correlation in a large active space. The present MRCI method provides a critical correction to the DMRG reference by including high-level dynamic correlation through the CI treatment. When the DMRG and MRCI theories are combined (DMRG-MRCI), the full internal contraction of the reference in the MRCI ansatz, including contraction of semi-internal states, plays a central role. However, it is thought to involve formidable complexity because of the presence of the five-particle rank reduced-density matrix (RDM) in the Hamiltonian matrix elements. To address this complexity, we express the Hamiltonian matrix using commutators, which allows the five-particle rank RDM to be canceled out without any approximation. Then we introduce an approximation to the four-particle rank RDM by using a cumulant reconstruction from lower-particle rank RDMs. A computer-aided approach is employed to derive the exceedingly complex equations of the MRCI in tensor-contracted form and to implement them into an efficient parallel computer code. This approach extends to the size-consistency-corrected variants of MRCI, such as the MRCI+Q, MR-ACPF, and MR-AQCC methods. We demonstrate the capability of the DMRG-MRCI method in several benchmark applications, including the evaluation of single-triplet gap of free-base porphyrin using 24 active orbitals.

Low-density, high-strength intermetallic matrix composites by XD (trademark) synthesis

Science.gov (United States)

Kumar, K. S.; Dipietro, M. S.; Brown, S. A.; Whittenberger, J. D.

1991-01-01

A feasibility study was conducted to evaluate the potential of particulate composites based on low-density, L1(sub 2) trialuminide matrices for high-temperature applications. The compounds evaluated included Al22Fe3Ti8 (as a multiphase matrix), Al67Ti25Cr8, and Al66Ti25Mn9. The reinforcement consisted of TiB2 particulates. The TiB2 composites were processed by ingot and powder metallurgy techniques. Microstructural characterization and mechanical testing were performed in the hot-pressed and hot-isostatic-pressed condition. The casting were sectioned and isothermally forged into pancakes. All the materials were tested in compression as a function of temperature, and at high temperatures as a function of strain rate. The test results are discussed.

Individual magnetization reversal of a square dot matrix by common current excitation

International Nuclear Information System (INIS)

Elyasi, Mehrdad; Bhatia, Charanjit S; Yang, Hyunsoo

2015-01-01

We have proposed a method for magnetization reversal of individual sites of a 2 by 2 matrix of perpendicularly magnetized dots by common current excitation. The spin-polarized current signal consists of a dc-biased ac part followed by a pure dc one. The amplitude of the dc and ac parts of the current, as well as the phase and duration of the ac current, determine the reversal sites through the magnetostatic interaction among the dots. We show that the individual selectivity in magnetization reversal occurs through two consecutive steps, dephasing of the matrix dyadic pairs dynamics followed by nonlinear dephasing of the individual elements. This method can be utilized to increase the storage density of magnetic random access memory by enabling common access for four or more bits. (paper)

Polarization and Spin Alignment in Multihadronic Z0 Decays

CERN Document Server

Kress, Thomas

2001-01-01

The large statistics of millions of hadronic Z0 decays, accumulated by the four LEP experiments between 1989 and 1995, allowed for detailed investigations of the fragmentation process. Inclusive Lambda_b baryons and Lambda hyperons at intermediate and high momentum have been found to show longitudinal polarization. This may be related to the primary quark and antiquark polarization and the hadronization mechanism which produces the leading baryons. Helicity density-matrix elements have been measured for a variety of vector mesons produced inclusively in hadronic Z0 decays. The diagonal elements of some of the light mesons and the D*+- show a preference for a helicity-zero state if the meson carries a large fraction of the available energy. The mechanism which produces such spin alignment in the non-perturbative hadronization of the primary partons to the vector mesons is so far unexplained. For the B* the results are consistent with no spin alignment, which is expected in a picture based on HQET. For some mes...

Fragmentation functions of polarized heavy quarkonium

International Nuclear Information System (INIS)

Ma, Yan-Qing; Qiu, Jian-Wei; Zhang, Hong

2015-01-01

Investigating the production of polarized heavy quarkonia in terms of recently proposed QCD factorization formalism requires the knowledge of a large number of input fragmentation functions (FFs) from a single parton or a heavy quark-antiquark pair to a polarized heavy quarkonium. We study these universal FFs at the input factorization scale μ 0 ≳2m Q , with heavy quark mass m Q , in the framework of nonrelativistic QCD (NRQCD) factorization. We express these FFs in terms of perturbatively calculable coefficients for producing a heavy quark-antiquark pair in all possible NRQCD states, multiplied by corresponding NRQCD long-distance matrix elements for the pair to transmute into a polarized heavy quarkonium. We derive all relevant NRQCD operators for the long-distance matrix elements based on symmetries, and introduce a self-consistent scheme to define them in arbitrary d-dimensions. We compute, up to the first non-trivial order in α s , the perturbative coefficients for producing a heavy quark pair in all possible S-wave and P-wave NRQCD states. We also discuss the role of the polarized FFs in generating QCD predictions for the polarization of J/ψ produced at collider energies.

Spin polarized states in strongly asymmetric nuclear matter

International Nuclear Information System (INIS)

Isayev, A.A.; Yang, J.

2004-01-01

The possibility of appearance of spin polarized states in strongly asymmetric nuclear matter is analyzed within the framework of a Fermi liquid theory with the Skyrme effective interaction. The zero temperature dependence of the neutron and proton spin polarization parameters as functions of density is found for SLy4 and SLy5 effective forces. It is shown that at some critical density strongly asymmetric nuclear matter undergoes a phase transition to the state with the oppositely directed spins of neutrons and protons while the state with the same direction of spins does not appear. In comparison with neutron matter, even small admixture of protons strongly decreases the threshold density of spin instability. It is clarified that protons become totally polarized within a very narrow density domain while the density profile of the neutron spin polarization parameter is characterized by the appearance of long tails near the transition density

Mueller matrix polarimetry imaging for breast cancer analysis (Conference Presentation)

Science.gov (United States)

Gribble, Adam; Vitkin, Alex

2017-02-01

Polarized light has many applications in biomedical imaging. The interaction of a biological sample with polarized light reveals information about its biological composition, both structural and functional. The most comprehensive type of polarimetry analysis is to measure the Mueller matrix, a polarization transfer function that completely describes how a sample interacts with polarized light. However, determination of the Mueller matrix requires tissue analysis under many different states of polarized light; a time consuming and measurement intensive process. Here we address this limitation with a new rapid polarimetry system, and use this polarimetry platform to investigate a variety of tissue changes associated with breast cancer. We have recently developed a rapid polarimetry imaging platform based on four photoelastic modulators (PEMs). The PEMs generate fast polarization modulations that allow the complete sample Mueller matrix to be imaged over a large field of view, with no moving parts. This polarimetry system is then demonstrated to be sensitive to a variety of tissue changes that are relevant to breast cancer. Specifically, we show that changes in depolarization can reveal tumor margins, and can differentiate between viable and necrotic breast cancer metastasized to the lymph nodes. Furthermore, the polarimetric property of linear retardance (related to birefringence) is dependent on collagen organization in the extracellular matrix. These findings indicate that our polarimetry platform may have future applications in fields such as breast cancer diagnosis, improving the speed and efficacy of intraoperative pathology, and providing prognostic information that may be beneficial for guiding treatment.

General-transformation matrix for Dirac spinors and the calculation of spinorial amplitudes

International Nuclear Information System (INIS)

Nam, K.; Moravcsik, M.J.

1983-01-01

A general transformation matrix T(p's';p,s) is constructed which transforms a Dirac spinor psi(p,s) into another Dirac spinor psi(p',s') with arbitrarily given momenta and polarization states by expoloting the so-called Stech operator as one of generators for those transformations. This transformation matrix is then used in a calculation to yield the spinorial matrix element M = anti psi(p',s')GAMMApsi(p,s) for any spin polarization state. The final expressions of these matrix elements show the explicit structure of spin dependence for the process described by these spinorial amplitudes. The kinematical limiting cases such as very low energy or high energy of the various matrix elements can also be easily displayed. Our method is superior to the existing one in the following points. Since we have a well-defined transformation operator between two Dirac spinor states, we can evaluate the necessary phase factor of the matrix elements in an unambiguous way without introducing the coordinate system. This enables us to write down the Feynman amplitudes of complicated processes in any spin basis very easily in terms of previously calculated matrix elements of anti psiGAMMApsi which are building blocks of those Feynman amplitudes. The usefulness of the results is illustrated on Compton scattering and on the elastic scattering of two identical massive leptons where the phase factor is important. It is also shown that the Stech operator as a polarization operator is simply related to the operator K = #betta#(polarized μ . polarized L + 1)/2 which is often used in bound state problems

Matrix product density operators: Renormalization fixed points and boundary theories

Energy Technology Data Exchange (ETDEWEB)

Cirac, J.I. [Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str. 1, D-85748 Garching (Germany); Pérez-García, D., E-mail: dperezga@ucm.es [Departamento de Análisis Matemático, Universidad Complutense de Madrid, Plaza de Ciencias 3, 28040 Madrid (Spain); ICMAT, Nicolas Cabrera, Campus de Cantoblanco, 28049 Madrid (Spain); Schuch, N. [Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str. 1, D-85748 Garching (Germany); Verstraete, F. [Department of Physics and Astronomy, Ghent University (Belgium); Vienna Center for Quantum Technology, University of Vienna (Austria)

2017-03-15

We consider the tensors generating matrix product states and density operators in a spin chain. For pure states, we revise the renormalization procedure introduced in (Verstraete et al., 2005) and characterize the tensors corresponding to the fixed points. We relate them to the states possessing zero correlation length, saturation of the area law, as well as to those which generate ground states of local and commuting Hamiltonians. For mixed states, we introduce the concept of renormalization fixed points and characterize the corresponding tensors. We also relate them to concepts like finite correlation length, saturation of the area law, as well as to those which generate Gibbs states of local and commuting Hamiltonians. One of the main result of this work is that the resulting fixed points can be associated to the boundary theories of two-dimensional topological states, through the bulk-boundary correspondence introduced in (Cirac et al., 2011).

Lunar true polar wander inferred from polar hydrogen.

Science.gov (United States)

Siegler, M A; Miller, R S; Keane, J T; Laneuville, M; Paige, D A; Matsuyama, I; Lawrence, D J; Crotts, A; Poston, M J

2016-03-24

The earliest dynamic and thermal history of the Moon is not well understood. The hydrogen content of deposits near the lunar poles may yield insight into this history, because these deposits (which are probably composed of water ice) survive only if they remain in permanent shadow. If the orientation of the Moon has changed, then the locations of the shadowed regions will also have changed. The polar hydrogen deposits have been mapped by orbiting neutron spectrometers, and their observed spatial distribution does not match the expected distribution of water ice inferred from present-day lunar temperatures. This finding is in contrast to the distribution of volatiles observed in similar thermal environments at Mercury's poles. Here we show that polar hydrogen preserves evidence that the spin axis of the Moon has shifted: the hydrogen deposits are antipodal and displaced equally from each pole along opposite longitudes. From the direction and magnitude of the inferred reorientation, and from analysis of the moments of inertia of the Moon, we hypothesize that this change in the spin axis, known as true polar wander, was caused by a low-density thermal anomaly beneath the Procellarum region. Radiogenic heating within this region resulted in the bulk of lunar mare volcanism and altered the density structure of the Moon, changing its moments of inertia. This resulted in true polar wander consistent with the observed remnant polar hydrogen. This thermal anomaly still exists and, in part, controls the current orientation of the Moon. The Procellarum region was most geologically active early in lunar history, which implies that polar wander initiated billions of years ago and that a large portion of the measured polar hydrogen is ancient, recording early delivery of water to the inner Solar System. Our hypothesis provides an explanation for the antipodal distribution of lunar polar hydrogen, and connects polar volatiles to the geologic and geophysical evolution of the Moon

QCD Analysis of Polarized Scattering Data and New Polarized Parton Distributions

International Nuclear Information System (INIS)

Bluemlein, J.; Boettcher, H.

2002-01-01

In this talk results from a new QCD analysis in Leading (LO) and Next-to-Leading (NLO) Order are presented. New parametrizations of the polarized quark and gluon densities are derived together with parametrizations of their fully correlated 1σ error bands. Furthermore the value of α s (M 2 Z ) is determined. Finally a number of low moments of the polarized parton densities are compared with results from lattice simulations. All details of the analysis are given in J. Bluemlein, H. Boettcher, Nucl. Phys. B636, 225 (2002). (author)

Coherent active polarization control without loss

Science.gov (United States)

Ye, Yuqian; Hay, Darrick; Shi, Zhimin

2017-11-01

We propose a lossless active polarization control mechanism utilizing an anisotropic dielectric medium with two coherent inputs. Using scattering matrix analysis, we derive analytically the required optical properties of the anisotropic medium that can behave as a switchable polarizing beam splitter. We also show that such a designed anisotropic medium can produce linearly polarized light at any azimuthal direction through coherent control of two inputs with a specific polarization state. Furthermore, we present a straightforward design-on-demand procedure of a subwavelength-thick metastructure that can possess the desired optical anisotropy at a flexible working wavelength. Our lossless coherent polarization control technique may lead to fast, broadband and integrated polarization control elements for applications in imaging, spectroscopy, and telecommunication.

Long-period polar rain variations, solar wind and hemispherically symmetric polar rain

International Nuclear Information System (INIS)

Makita, K.; Meng, C.

1987-01-01

On the basic of electron data obtained by the Defense Meteorological Satellite Program (DMSP) F2 satellite the long-period variations of the polar rain flux are examined for four consecutive solar rotations. It is clearly demonstrated that the asymmetric enhancement of the polar rain flux is strongly controlled by the sector structure of the interplanetary magnetic field (IMF). However, the orbit-to-orbit and day-to-day variations of the polar rain flux are detected even during a very stable sector period, and the polar rain flux does not have any clear relationship to the magnitude of the IMF B/sub x/ or B/sub y/. Thus the polarity of B/sub x/ controls only the accessibility of a polar region. It is also noticed that the intensity of polar rain fluxes does not show any relationship to the density of the solar wind, suggesting that the origin of the polar rain electrons is different from the commonly observed part of the solar wind electron distribution function. In addition to the asymmetric polar rain distribution, increasing polar rain fluxes of similar high intensity are sometimes detected over both polar caps. An examination of more than 1 year's data from the DMSP F2 and F4 satellites shows that simultaneous intense uniform precipitations (>10 7 electrons/cm 2 s sr) over both polar caps are not coincidental; it also shows that the spectra are similar. The occurrence of hemispherically symmetric events is not common. They generally are observed after an IMF sector transition period, during unstable periods in the sector structure, and while the solar wind density is high. copyright American Geophysical Union 1987

Mueller matrix of a dicot leaf

Science.gov (United States)

Vanderbilt, Vern C.; Daughtry, Craig S. T.

2012-06-01

A better understanding of the information contained in the spectral, polarized bidirectional reflectance and transmittance of leaves may lead to improved techniques for identifying plant species in remotely sensed imagery as well as better estimates of plant moisture and nutritional status. Here we report an investigation of the optical polarizing properties of several leaves of one species, Cannabis sativa, represented by a 3x3 Mueller matrix measured over the wavelength region 400-2,400 nm. Our results support the hypothesis that the leaf surface alters the polarization of incident light - polarizing off nadir, unpolarized incident light, for example - while the leaf volume tends to depolarized incident polarized light.

Ground-based Polarization Remote Sensing of Atmospheric Aerosols and the Correlation between Polarization Degree and PM2.5

International Nuclear Information System (INIS)

Cheng, Chen; Zhengqiang, Li; Weizhen, Hou; Yisong, Xie; Donghui, Li; Kaitao, Li; Ying, Zhang

2014-01-01

The ground-based polarization remote sensing adds the polarization dimension information to traditional intensity detection, which provides a new method to detect atmospheric aerosols properties. In this paper, the polarization measurements achieved by a new multi-wavelength sun photometer, CE318-DP, are used for the ground-based remote sensing of atmospheric aerosols. In addition, a polarized vector radiative transfer model is introduced to simulate the DOLP (Degree Of Linear Polarization) under different sky conditions. At last, the correlative analysis between mass density of PM 2.5 and multi-wavelength and multi-angular DOLP is carried out. The result shows that DOLP has a high correlation with mass density of PM 2.5 , R 2 >0.85. As a consequence, this work provides a new method to estimate the mass density of PM 2.5 by using the comprehensive network of ground-based sun photometer

Coherence matrix of plasmonic beams

DEFF Research Database (Denmark)

Novitsky, Andrey; Lavrinenko, Andrei

2013-01-01

We consider monochromatic electromagnetic beams of surface plasmon-polaritons created at interfaces between dielectric media and metals. We theoretically study non-coherent superpositions of elementary surface waves and discuss their spectral degree of polarization, Stokes parameters, and the for...... of the spectral coherence matrix. We compare the polarization properties of the surface plasmonspolaritons as three-dimensional and two-dimensional fields concluding that the latter is superior....

Matrix formulations of radiative transfer including the polarization effect in a coupled atmosphere-ocean system

International Nuclear Information System (INIS)

Ota, Yoshifumi; Higurashi, Akiko; Nakajima, Teruyuki; Yokota, Tatsuya

2010-01-01

A vector radiative transfer model has been developed for a coupled atmosphere-ocean system. The radiative transfer scheme is based on the discrete ordinate and matrix operator methods. The reflection/transmission matrices and source vectors are obtained for each atmospheric or oceanic layer through the discrete ordinate solution. The vertically inhomogeneous system is constructed using the matrix operator method, which combines the radiative interaction between the layers. This radiative transfer scheme is flexible for a vertically inhomogeneous system including the oceanic layers as well as the ocean surface. Compared with the benchmark results, the computational error attributable to the radiative transfer scheme has been less than 0.1% in the case of eight discrete ordinate directions. Furthermore, increasing the number of discrete ordinate directions has produced computations with higher accuracy. Based on our radiative transfer scheme, simulations of sun glint radiation have been presented for wavelengths of 670 nm and 1.6 μm. Results of simulations have shown reasonable characteristics of the sun glint radiation such as the strongly peaked, but slightly smoothed radiation by the rough ocean surface and depolarization through multiple scattering by the aerosol-loaded atmosphere. The radiative transfer scheme of this paper has been implemented to the numerical model named Pstar as one of the OpenCLASTR/STAR radiative transfer code systems, which are widely applied to many radiative transfer problems, including the polarization effect.

Geometric phase from dielectric matrix

International Nuclear Information System (INIS)

Banerjee, D.

2005-10-01

The dielectric property of the anisotropic optical medium is found by considering the polarized photon as two component spinor of spherical harmonics. The Geometric Phase of a polarized photon has been evaluated in two ways: the phase two-form of the dielectric matrix through a twist and the Pancharatnam phase (GP) by changing the angular momentum of the incident polarized photon over a closed triangular path on the extended Poincare sphere. The helicity in connection with the spin angular momentum of the chiral photon plays the key role in developing these phase holonomies. (author)

Quasi-particle energy spectra in local reduced density matrix functional theory.

Science.gov (United States)

Lathiotakis, Nektarios N; Helbig, Nicole; Rubio, Angel; Gidopoulos, Nikitas I

2014-10-28

Recently, we introduced [N. N. Lathiotakis, N. Helbig, A. Rubio, and N. I. Gidopoulos, Phys. Rev. A 90, 032511 (2014)] local reduced density matrix functional theory (local RDMFT), a theoretical scheme capable of incorporating static correlation effects in Kohn-Sham equations. Here, we apply local RDMFT to molecular systems of relatively large size, as a demonstration of its computational efficiency and its accuracy in predicting single-electron properties from the eigenvalue spectrum of the single-particle Hamiltonian with a local effective potential. We present encouraging results on the photoelectron spectrum of molecular systems and the relative stability of C20 isotopes. In addition, we propose a modelling of the fractional occupancies as functions of the orbital energies that further improves the efficiency of the method useful in applications to large systems and solids.

Meson-exchange forces and medium polarization in finite nuclei

International Nuclear Information System (INIS)

Hengeveld, W.

1986-01-01

A G-matrix, derived from a meson-exchange potential in nuclear matter, is applied to finite, semi-magic nuclei. For the open shell the broken-pair model, which can accomodate many particle levels, is used. The excitations of the closed shell are treated as particle-hole states. Energy spectra and electromagnetic transition densities are calculated for 88 Sr and 58 Ni. The standard random-phase approximation for finite systems is extended by including the effects of the exchange of the RPA phonons in the residual interaction selfconsistently. It is shown that this particle-hole interaction is strongly energy dependent due to the presence of poles corresponding to 2p-2h (and more complex) excitations. The RPA eigenvalue problem with this energy-dependent residual interaction also provides solutions for these predominantly 2p2h-like states. In addition a modified normalization condition is obtained. This scheme is applied to 56 Ni( 56 Co) in a large configuration space using a residual interaction of the G-matrix type. The effect of dynamic medium polarization on the properties of giant resonances is illustrated for the case of A=48 nuclei. A large fragmentation of the monopole strength is calculated, which is in accordance with the non-observation of the GMR in light nuclei. Properties of A=48 nuclei are computed with an interaction deduced from the NN scattering data without introduction of additional parameters. The role of medium polarization is illustrated for spectra and (e,e') form factors. It is shown how medium polarization induces a coupling between excitations in even-even and in the adjacent odd-odd nuclei. (Auth.)

General formulae for polarization observables in deuteron electrodisintegration and linear relations

International Nuclear Information System (INIS)

Arenhoevel, H.; Leidemann, W.; Tomusiak, E.L.

1993-01-01

Formal expressions are derived for all possible polarization observables in deuteron electrodisintegration with longitudinally polarized incoming electrons, oriented deuteron targets and polarization analysis of outgoing nucleons. They are given in terms of general structure functions which can be determined experimentally. These structure functions are Hermitean forms of the T-matrix elements which, in principle, allow the determination of all T-matrix elements up to an arbitrary common phase. Since the set of structure functions is overcomplete, linear relations among various structure functions exist which are derived explicitly

Polarization information processing and software system design for simultaneously imaging polarimetry

Science.gov (United States)

Wang, Yahui; Liu, Jing; Jin, Weiqi; Wen, Renjie

2015-08-01

Simultaneous imaging polarimetry can realize real-time polarization imaging of the dynamic scene, which has wide application prospect. This paper first briefly illustrates the design of the double separate Wollaston Prism simultaneous imaging polarimetry, and then emphases are put on the polarization information processing methods and software system design for the designed polarimetry. Polarization information processing methods consist of adaptive image segmentation, high-accuracy image registration, instrument matrix calibration. Morphological image processing was used for image segmentation by taking dilation of an image; The accuracy of image registration can reach 0.1 pixel based on the spatial and frequency domain cross-correlation; Instrument matrix calibration adopted four-point calibration method. The software system was implemented under Windows environment based on C++ programming language, which realized synchronous polarization images acquisition and preservation, image processing and polarization information extraction and display. Polarization data obtained with the designed polarimetry shows that: the polarization information processing methods and its software system effectively performs live realize polarization measurement of the four Stokes parameters of a scene. The polarization information processing methods effectively improved the polarization detection accuracy.

Stanford polarized atomic beam target

International Nuclear Information System (INIS)

Mavis, D.G.; Dunham, J.S.; Hugg, J.W.; Glavish, H.F.

1976-01-01

A polarized atomic beam source was used to produce an atomic hydrogen beam which was in turn used as a polarized proton target. A target density of 2 x 10'' atoms/cm 3 and a target polarization of 0.37 without the use of rf transitions were measured. These measurements indicate that a number of experiments are currently feasible with a variety of polarized target beams

On the polarization mixing of X-rays

International Nuclear Information System (INIS)

Ohkawa, T.; Hashimoto, H.

1984-01-01

Relativistic quantum field theory is applied to discuss the process of interference of white X-rays and the mechanism of rotation of the polarization of X-rays in crystals. A two-photon state is studied theoretically for analyzing the mechanism of the polarization mixing. Diffracted X-ray photons are produced by two successive stages of interaction between incident X-rays and electrons in a crystal. A dispersion relation of diffracted X-rays similar to Laue's dynamic theory is shown by use of the S-matrix. A dynamical structure factor is defined on the base of Dirac's γ-matrix. (author)

Coherent active polarization control without loss

Directory of Open Access Journals (Sweden)

Yuqian Ye

2017-11-01

Full Text Available We propose a lossless active polarization control mechanism utilizing an anisotropic dielectric medium with two coherent inputs. Using scattering matrix analysis, we derive analytically the required optical properties of the anisotropic medium that can behave as a switchable polarizing beam splitter. We also show that such a designed anisotropic medium can produce linearly polarized light at any azimuthal direction through coherent control of two inputs with a specific polarization state. Furthermore, we present a straightforward design-on-demand procedure of a subwavelength-thick metastructure that can possess the desired optical anisotropy at a flexible working wavelength. Our lossless coherent polarization control technique may lead to fast, broadband and integrated polarization control elements for applications in imaging, spectroscopy, and telecommunication.

Quantum Stochastic Trajectories: The Fokker-Planck-Bohm Equation Driven by the Reduced Density Matrix.

Science.gov (United States)

Avanzini, Francesco; Moro, Giorgio J

2018-03-15

The quantum molecular trajectory is the deterministic trajectory, arising from the Bohm theory, that describes the instantaneous positions of the nuclei of molecules by assuring the agreement with the predictions of quantum mechanics. Therefore, it provides the suitable framework for representing the geometry and the motions of molecules without neglecting their quantum nature. However, the quantum molecular trajectory is extremely demanding from the computational point of view, and this strongly limits its applications. To overcome such a drawback, we derive a stochastic representation of the quantum molecular trajectory, through projection operator techniques, for the degrees of freedom of an open quantum system. The resulting Fokker-Planck operator is parametrically dependent upon the reduced density matrix of the open system. Because of the pilot role played by the reduced density matrix, this stochastic approach is able to represent accurately the main features of the open system motions both at equilibrium and out of equilibrium with the environment. To verify this procedure, the predictions of the stochastic and deterministic representation are compared for a model system of six interacting harmonic oscillators, where one oscillator is taken as the open quantum system of interest. The undeniable advantage of the stochastic approach is that of providing a simplified and self-contained representation of the dynamics of the open system coordinates. Furthermore, it can be employed to study the out of equilibrium dynamics and the relaxation of quantum molecular motions during photoinduced processes, like photoinduced conformational changes and proton transfers.

Effect of asymmetrical transfer coefficients of a non-polarizing beam splitter on the nonlinear error of the polarization interferometer

Science.gov (United States)

Zhao, Chen-Guang; Tan, Jiu-Bin; Liu, Tao

2010-09-01

The mechanism of a non-polarizing beam splitter (NPBS) with asymmetrical transfer coefficients causing the rotation of polarization direction is explained in principle, and the measurement nonlinear error caused by NPBS is analyzed based on Jones matrix theory. Theoretical calculations show that the nonlinear error changes periodically, and the error period and peak values increase with the deviation between transmissivities of p-polarization and s-polarization states. When the transmissivity of p-polarization is 53% and that of s-polarization is 48%, the maximum error reaches 2.7 nm. The imperfection of NPBS is one of the main error sources in simultaneous phase-shifting polarization interferometer, and its influence can not be neglected in the nanoscale ultra-precision measurement.

Electronic structure of the Fe2 molecule in the local-spin-density approximation

International Nuclear Information System (INIS)

Dhar, S.; Kestner, N.R.

1988-01-01

Ab initio self-consistent all-electron spin-polarized calculations have been performed for the ground-state properties of the Fe 2 molecule using the local-spin-density approximation. A Gaussian orbital basis is employed and all the two-electron integrals are evaluated analytically. The matrix elements of the exchange-correlation potential are computed numerically. The total energy, the binding energy, the equilibrium distance, vibrational frequency, and the ground-state configurations are reported and compared with other calculations and experimental results

Density matrix renormalization group for a highly degenerate quantum system: Sliding environment block approach

Science.gov (United States)

Schmitteckert, Peter

2018-04-01

We present an infinite lattice density matrix renormalization group sweeping procedure which can be used as a replacement for the standard infinite lattice blocking schemes. Although the scheme is generally applicable to any system, its main advantages are the correct representation of commensurability issues and the treatment of degenerate systems. As an example we apply the method to a spin chain featuring a highly degenerate ground-state space where the new sweeping scheme provides an increase in performance as well as accuracy by many orders of magnitude compared to a recently published work.

Comments to a polar bear population model

OpenAIRE

Øritsland, Nils Are

1985-01-01

Larsen, T. & Ugland, K. I. (Polar Research 2 n.s., 117-118) note correctly that a Leslie matrix model treats cubs and females as independent units which is not the case for polar bears. Population projections using the Leslie model with hunting mortalities added are instructive first approximations in evaluations of field data, however, and are recommended as exercises also for polar bear biologists. An APL programme for such projections is available.

A novel polarization demodulation method using polarization beam splitter (PBS) for dynamic pressure sensor

Science.gov (United States)

Su, Yang; Zhou, Hua; Wang, Yiming; Shen, Huiping

2018-03-01

In this paper we propose a new design to demodulate polarization properties induced by pressure using a PBS (polarization beam splitter), which is different with traditional polarimeter based on the 4-detector polarization measurement approach. The theoretical model is established by Muller matrix method. Experimental results confirm the validity of our analysis. Proportional relationships and linear fit are found between output signal and applied pressure. A maximum sensitivity of 0.092182 mv/mv is experimentally achieved and the frequency response exhibits a <0.14 dB variation across the measurement bandwidth. The sensitivity dependence on incident SOP (state of polarization) is investigated. The simple and all-fiber configuration, low-cost and high speed potential make it promising for fiber-based dynamic pressure sensing.

Polarization study of non-resonant X-ray magnetic scattering from spin-density-wave modulation in chromium

International Nuclear Information System (INIS)

Ohsumi, Hiroyuki; Takata, Masaki

2007-01-01

We present a polarization study of non-resonant X-ray magnetic scattering in pure chromium. Satellite reflections are observed at +/-Q and +/-2Q, where Q is the modulation wave vector of an itinerant spin-density-wave. The first and second harmonics are confirmed to have magnetic and charge origin, respectively, by means of polarimetry without using an analyzer crystal. This alternative technique eliminates intolerable intensity loss at an analyzer by utilizing the sample crystal also as an analyzer crystal

Radiochromic film and polarization effects

International Nuclear Information System (INIS)

Yu, P.K.N.; Cheung, T.; Butson, M.J.; Cancer Services, Wollongong, NSW; Inwood, D.

2004-01-01

Full text: A new high sensitivity radiochromic film has been tested for its polarization properties. Gafchromic HS film has been shown to produce a relatively small (less than 3%) variation in measured optical density measured at 660nm wavelength when the light source is fully linear polarized and the film is rotated through 360 deg angle. Similar variations are seen when the detector is linearly polarized. If both light source and detector is linearly polarised variations in measured optical density can reach 15% when the film is rotated through 360 deg angle. This seems to be due to a phase shift in polarised light caused by the radiochromic film resulting in the polarised light source becoming out of phase with the polarised detector. Gafchromic HS radiochromic film produces a minimal polarization response with varying angle of rotation however we recommend that a polarization test be performed on a densitometry system to establish the extent of its polarization properties before accuracy dosimetry is performed with radiochromic HS film. Copyright (2004) Australasian College of Physical Scientists and Engineers in Medicine

Neutron densities and the single particle structure of several even-even nuclei from 40Ca to 208Pb

International Nuclear Information System (INIS)

Ray, L.; Hodgson, P.E.

1979-01-01

Previously developed techniques which sum the squares of proton single particle wave functions to obtain nuclear charge densities are applied to the study of neutron distributions in /sup 40,48/Ca, /sup 58,64/Ni, /sup 116,124/Sn, and 208 Pb by comparing to those neutron densities deduced from 800 MeV proton elastic scattering data. The proton and neutron single particle wave functions are derived from a one-body, nonlocal Woods-Saxon binding potential whose parameters are adjusted to give the experimental single particle energies. Empirical spectroscopic factors determine the appropriate occupation probabilities for the single particle levels near the Fermi surface. Proper attention is given to nonorthogonality problems and to the removal of the spurious center-of-mass motion. These semiphenomenological neutron densities are compared to the predictions of the density matrix expansion variant of Hartree-Fock theory and to densities which are empirically deduced from recent 800 MeV polarized proton elastic scattering data. These ''experimental'' neutron distributions are obtained from approximate second order Kerman, McManus, and Thaler optical potential analyses using essentially ''model independent'' neutron densities. Qualitatively good agreement is obtained between the semiphenomenological neutron densities computed here, the density matrix expansion predictions, and the empirical results

Ring-diagram calculations of normal and spin-polarized 3He using the Aziz interactions

International Nuclear Information System (INIS)

Heyer, J.; Kiang, L.L.; Jiang, M.F.; Kuo, T.T.S.

1991-01-01

The authors calculate the ground-state energy of normal and spin-polarized 3 He within a model-space ring diagram framework where the particle-particle hole-hole (pphh) ring diagrams of the ground-state energy shift are summed up to all orders. The Aziz HFDHE2 and HFD-B(HE) interactions are employed. They first calculate a model space reaction matrix (G M ) whose intermediate states are required to be outside the chosen model space. The pphh ring diagrams with G M -matrix vertices are then summed within the model space by way of an RPA-type secular equation. The continuous single-particle spectrum of Mahaux is chosen. It is found that the inclusion of pphh ring diagrams gives a significant increase in the binding energy per particle (BE/A) as compared with Brueckner-Hartree-Fock calculations. For normal and spin-polarized 3 He their calculated values for BE/A and saturation densities are respectively (1.86 K, 0.72 angstrom -1 ) and (1.59 K, 0.91 angstrom -1 ), while the corresponding experimental values for normal 3 He are (2.47 K, 0.785 angstrom -1 ). 53 refs

Polarized excitons and optical activity in single-wall carbon nanotubes

Science.gov (United States)

Chang, Yao-Wen; Jin, Bih-Yaw

2018-05-01

The polarized excitons and optical activity of single-wall carbon nanotubes (SWNTs) are studied theoretically by π -electron Hamiltonian and helical-rotational symmetry. By taking advantage of the symmetrization, the single-particle energy and properties of a SWNT are characterized with the corresponding helical band structure. The dipole-moment matrix elements, magnetic-moment matrix elements, and the selection rules can also be derived. Based on different selection rules, the optical transitions can be assigned as the parallel-polarized, left-handed circularly-polarized, and right-handed circularly-polarized transitions, where the combination of the last two gives the cross-polarized transition. The absorption and circular dichroism (CD) spectra are simulated by exciton calculation. The calculated results are well comparable with the reported measurements. Built on the foundation, magnetic-field effects on the polarized excitons and optical activity of SWNTs are studied. Dark-bright exciton splitting and interband Faraday effect in the CD spectrum of SWNTs under an axial magnetic field are predicted. The Faraday rotation dispersion can be analyzed according to the selection rules of circular polarizations and the helical band structure.

Evolution with Composition of the d-Band Density of States at the Fermi Level in Highly Spin Polarized Co1-xFexS2

Science.gov (United States)

Kuhns, P. L.; Hoch, M. J. R.; Reyes, A. P.; Moulton, W. G.; Wang, L.; Leighton, C.

2006-04-01

Highly spin polarized (SP) and half-metallic ferromagnetic systems are of considerable current interest and of potential importance for spintronic applications. Recent work has demonstrated that Co1-xFexS2 is a highly polarized ferromagnet (FM) where the spin polarization can be tuned by alloy composition. Using Co59 FM-NMR as a probe, we have measured the low-temperature spin relaxation in this system in magnetic fields from 0 to 1.0 T for 0≤x≤0.3. The Co59 spin-lattice relaxation rates follow a linear T dependence. Analysis of the data, using expressions for a FM system, permits information to be obtained on the d-band density of states at the Fermi level. The results are compared with independent density of states values inferred from electronic specific heat measurements and band structure calculations. It is shown that FM-NMR can be an important method for investigating highly SP systems.

Spin-polarized states in neutron matter in a strong magnetic field

International Nuclear Information System (INIS)

Isayev, A. A.; Yang, J.

2009-01-01

Spin-polarized states in neutron matter in strong magnetic fields up to 10 18 G are considered in the model with the Skyrme effective interaction. By analyzing the self-consistent equations at zero temperature, it is shown that a thermodynamically stable branch of solutions for the spin-polarization parameter as a function of density corresponds to the negative spin polarization when the majority of neutron spins are oriented opposite to the direction of the magnetic field. Besides, beginning from some threshold density dependent on magnetic field strength, the self-consistent equations also have two other branches of solutions for the spin-polarization parameter with the positive spin polarization. The free energy corresponding to one of these branches turns out to be very close to that of the thermodynamically preferable branch. As a consequence, in a strong magnetic field, the state with the positive spin polarization can be realized as a metastable state in the high-density region in neutron matter, which, under decreasing density, at some threshold density changes to a thermodynamically stable state with the negative spin polarization.

Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data.

Science.gov (United States)

Gueddida, Saber; Yan, Zeyin; Kibalin, Iurii; Voufack, Ariste Bolivard; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Gillon, Béatrice; Gillet, Jean-Michel

2018-04-28

In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO 3 ferromagnetic crystal. The spin-resolved one-electron-reduced density matrix is reconstructed simultaneously from theoretical magnetic structure factors and directional magnetic Compton profiles using our joint refinement algorithm. This algorithm is guided by the rescaling of basis functions and the adjustment of the spin population matrix. The resulting spin electron density in both position and momentum spaces from the joint refinement model is in agreement with theoretical and experimental results. Benefits brought from magnetic Compton profiles to the entire spin density matrix are illustrated. We studied the magnetic properties of the YTiO 3 crystal along the Ti-O 1 -Ti bonding. We found that the basis functions are mostly rescaled by means of magnetic Compton profiles, while the molecular occupation numbers are mainly modified by the magnetic structure factors.

Polarized light scattering as a probe for changes in chromosome structure

Energy Technology Data Exchange (ETDEWEB)

Shapiro, Daniel Benjamin [Univ. of California, Berkeley, CA (United States)

1993-10-01

Measurements and calculations of polarized light scattering are applied to chromosomes. Calculations of the Mueller matrix, which completely describes how the polarization state of light is altered upon scattering, are developed for helical structures related to that of chromosomes. Measurements of the Mueller matrix are presented for octopus sperm heads, and dinoflagellates. Comparisons of theory and experiment are made. A working theory of polarized light scattering from helices is developed. The use of the first Born approximation vs the coupled dipole approximation are investigated. A comparison of continuous, calculated in this work, and discrete models is also discussed. By comparing light scattering measurements with theoretical predictions the average orientation of DNA in an octopus sperm head is determined. Calculations are made for the Mueller matrix of DNA plectonemic helices at UV, visible and X-ray wavelengths. Finally evidence is presented that the chromosomes of dinoflagellates are responsible for observed differential scattering of circularly-polarized light. This differential scattering is found to vary in a manner that is possibly correlated to the cell cycle of the dinoflagellates. It is concluded that by properly choosing the wavelength probe polarized light scattering can provide a useful tool to study chromosome structure.

Path integral density matrix dynamics: a method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems.

Science.gov (United States)

Habershon, Scott

2013-09-14

We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.

Path integral density matrix dynamics: A method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems

International Nuclear Information System (INIS)

Habershon, Scott

2013-01-01

We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency

Scattering with polarized neutrons

International Nuclear Information System (INIS)

Schweizer, J.

2007-01-01

In the history of neutron scattering, it was shown very soon that the use of polarized neutron beams brings much more information than usual scattering with unpolarized neutrons. We shall develop here the different scattering methods that imply polarized neutrons: 1) polarized beams without polarization analysis, the flipping ratio method; 2) polarized beams with a uniaxial polarization analysis; 3) polarized beams with a spherical polarization analysis. For all these scattering methods, we shall give examples of the physical problems which can been solved by these methods, particularly in the field of magnetism: investigation of complex magnetic structures, investigation of spin or magnetization densities in metals, insulators and molecular compounds, separation of magnetic and nuclear scattering, investigation of magnetic properties of liquids and amorphous materials and even, for non magnetic material, separation between coherent and incoherent scattering. (author)

On the inclusive reaction e+e- → VX with regard for polarization states of generated vector meson

International Nuclear Information System (INIS)

Khachtryan, G.N.; Shakhnazaryan, Yu.G.

1977-01-01

The e + e - →VX inclusive process has been considered with allowance made for polarization states of a vector meson. The tensor that describes the vortex of the γ→VX transition has also been considered. In the general case the tensor contains eight structural functions. The elements of the vector meson density matrix have been calculated in the spiral representation. These elements are expressed in terms of the given structural functions and polarization vectors of annihilating particles. It is shown that the structural functions can be determined from the study of angular distribution of products of the meson vector decay on pseudoscalar particles (p→2π, ω→3π, phi→2K) and on a lepton-antilepton pair (PSI, PSI'→e + e - )

Lectures on light nonlinear and quantum optics using the density matrix

CERN Document Server

Rand, Stephen C.

2016-01-01

This book bridges the gap between introductory quantum mechanics and the research front of modern optics and scientific fields that make use of light. While suitable as a reference for the specialist in quantum optics, it also targets non-specialists from other disciplines who need to understand light and its uses in research. It introduces a single analytic tool, the density matrix, to analyze complex optical phenomena encountered in traditional as well as cross-disciplinary research. It moves swiftly in a tight sequence from elementary to sophisticated topics in quantum optics, including optical tweezers, laser cooling, coherent population transfer, optical magnetism, electromagnetically induced transparency, squeezed light, and cavity quantum electrodynamics. A systematic approach starts with the simplest systems—stationary two-level atoms—then introduces atomic motion, adds more energy levels, and moves on to discuss first-, second-, and third-order coherence effects that are the basis for analyzing n...

Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data.

Science.gov (United States)

Deutsch, Maxime; Claiser, Nicolas; Pillet, Sébastien; Chumakov, Yurii; Becker, Pierre; Gillet, Jean Michel; Gillon, Béatrice; Lecomte, Claude; Souhassou, Mohamed

2012-11-01

New crystallographic tools were developed to access a more precise description of the spin-dependent electron density of magnetic crystals. The method combines experimental information coming from high-resolution X-ray diffraction (XRD) and polarized neutron diffraction (PND) in a unified model. A new algorithm that allows for a simultaneous refinement of the charge- and spin-density parameters against XRD and PND data is described. The resulting software MOLLYNX is based on the well known Hansen-Coppens multipolar model, and makes it possible to differentiate the electron spins. This algorithm is validated and demonstrated with a molecular crystal formed by a bimetallic chain, MnCu(pba)(H(2)O)(3)·2H(2)O, for which XRD and PND data are available. The joint refinement provides a more detailed description of the spin density than the refinement from PND data alone.

Spin-dependent energy distribution of B-hadrons from polarized top decays considering the azimuthal correlation rate

Directory of Open Access Journals (Sweden)

S.M. Moosavi Nejad

2016-04-01

Full Text Available Basically, the energy distribution of bottom-flavored hadrons produced through polarized top quark decays t(↑→W++b(→Xb, is governed by the unpolarized rate and the polar and the azimuthal correlation functions which are related to the density matrix elements of the decay t(↑→bW+. Here we present, for the first time, the analytical expressions for the O(αs radiative corrections to the differential azimuthal decay rates of the partonic process t(↑→b+W+ in two helicity systems, which are needed to study the azimuthal distribution of the energy spectrum of the hadrons produced in polarized top decays. These spin-momentum correlations between the top quark spin and its decay product momenta will allow the detailed studies of the top decay mechanism. Our predictions of the hadron energy distributions also enable us to deepen our knowledge of the hadronization process and to test the universality and scaling violations of the bottom-flavored meson fragmentation functions.

Spin-polarized hydrogen, deuterium, and tritium : I

International Nuclear Information System (INIS)

Haugen, M.; Ostgaard, E.

1989-01-01

The ground-state energy of spin-polarized hydrogen, deuterium and tritium is calculated by means of a modified variational lowest order constrained-variation method, and the calculations are done for five different two-body potentials. Spin-polarized H is not self-bound according to our theoretical results for the ground-state binding energy. For spin-polarized D, however, we obtain theoretical results for the ground-state binding energy per particle from -0.4 K at an equilibrium particle density of 0.25 σ -3 or a molar volume of 121 cm 3 /mol to +0.32 K at an equilibrium particle density of 0.21 σ -3 or a molar volume of 142 cm 3 /mol, where σ = 3.69 A (1A = 10 -10 m). It is, therefore, not clear whether spin-polarized deuterium should be self-bound or not. For spin-polarized T, we obtain theoretical results for the ground-state binding energy per particle from -4.73 K at an equilibrium particle density of 0.41 σ -3 or a molar volume of 74 cm 3 /mol to -1.21 K at an equilibrium particle density of 0.28 σ -3 or a molar volume of 109 cm 3 /mol. (Author) 27 refs., 9 figs., tab

Unlocking the Full Potential of Extragalactic Lyα through Its Polarization Properties

Science.gov (United States)

Eide, Marius B.; Gronke, Max; Dijkstra, Mark; Hayes, Matthew

2018-04-01

Lyα is a powerful astrophysical probe. Not only is it ubiquitous at high redshifts, it is also a resonant line, making Lyα photons scatter. This scattering process depends on the physical conditions of the gas through which Lyα propagates, and these conditions are imprinted on observables such as the Lyα spectrum and its surface brightness profile. In this work, we focus on a less-used observable capable of probing any scattering process: polarization. We implement the density matrix formalism of polarization into the Monte Carlo radiative transfer code tlac. This allows us to treat it as a quantum mechanical process where single photons develop and lose polarization from scatterings in arbitrary gas geometries. We explore static and expanding ellipsoids, biconical outflows, and clumpy multiphase media. We find that photons become increasingly polarized as they scatter and diffuse into the wings of the line profiles, making scattered Lyα polarized in general. The degree and orientation of Lyα polarization depends on the kinematics and distribution of the scattering H I gas. We find that it generally probes spatial or velocity space asymmetries and aligns itself tangentially to the emission source. We show that the mentioned observables, when studied separately, can leave similar signatures for different source models. We conclude by revealing how a joint analysis of the Lyα spectra, surface brightness profiles, and polarization can break these degeneracies and help us extract unique physical information on galaxies and their environments from their strongest, most prominent emission line.

Exact and quasi-classical density matrix and Wigner functions for a particle in the box and half space

Science.gov (United States)

Akhundova, E. A.; Dodonov, V. V.; Manko, V. I.

1993-01-01

The exact expressions for density matrix and Wigner functions of quantum systems are known only in special cases. Corresponding Hamiltonians are quadratic forms of Euclidean coordinates and momenta. In this paper we consider the problem of one-dimensional free particle movement in the bounded region 0 is less than x is less than a (including the case a = infinity).

On the density of eigenvalues of a random matrix; Concernant la densite des racines caracteristiques d'une matrice stochastique

Energy Technology Data Exchange (ETDEWEB)

Mehta, M. L. [Institute of Fundamental Research Bombay (India); Gaudin, M. [Commissariat a l' energie atomique et aux energies alternatives - CEA, Centre d' Etudes Nucleaires de Saclay, Gif-sur-Yvette (France)

1960-07-01

An exact expression for the density of eigenvalues of a random- matrix is derived. When the order of the matrix becomes infinite, it can be seen very directly that it goes over to Wigner's 'semi-circle law'. Reprint of a paper published in 'Nuclear Physics' 18, 1960, p. 420-427 [French] On deduit une expression precise pour la densite des racines caracteristiques d'une matrice stochastique. Quand l'ordre de la matrice devient infini, on peut voir facilement qu'elle obeit a la loi dite 'semi-circulaire' de Wigner. Reproduction d'un article publie dans 'Nuclear Physics' 18, 1960, p. 420-427.

Density-matrix approach for the electroluminescence of molecules in a scanning tunneling microscope.

Science.gov (United States)

Tian, Guangjun; Liu, Ji-Cai; Luo, Yi

2011-04-29

The electroluminescence (EL) of molecules confined inside a nanocavity in the scanning tunneling microscope possesses many intriguing but unexplained features. We present here a general theoretical approach based on the density-matrix formalism to describe the EL from molecules near a metal surface induced by both electron tunneling and localized surface plasmon excitations simultaneously. It reveals the underlying physical mechanism for the external bias dependent EL. The important role played by the localized surface plasmon on the EL is highlighted. Calculations for porphyrin derivatives have reproduced corresponding experimental spectra and nicely explained the observed unusual large variation of emission spectral profiles. This general theoretical approach can find many applications in the design of molecular electronic and photonic devices.

Understanding Residential Polarization in a Globalizing City

Directory of Open Access Journals (Sweden)

Ibrahim Rotimi Aliu

2013-12-01

Full Text Available This study examines the spatial polarization that characterizes the dwellings in the African leading megacity of Lagos. Data were collected through an extensive housing survey carried out on 1,485 household residences in 56 wards within 12 administrative units in Lagos megacity. The spatial dimension of residential density in the city generates three unique residential patterns which are low residential density (LRD, medium residential density (MRD, and high residential density (HRD areas. Descriptive and multivariate inferential statistics were used to render explanations for the spatial variations in the residential quality variables in the study area. Findings indicated that a clear difference exists in the residential quality within the three residential density areas of Lagos. High correlations exist among the residential quality indicators and housing type. The principal component analysis shows that residential polarizations that occur in the LRD, MRD, and HRD are based on the location, dwelling facility, interior and exterior quality, neighborhood integrity, social bond, barrier to entry, and security. The practical implications of residential polarizations along the residential density areas are explicitly expressed.

Ionic polarization

International Nuclear Information System (INIS)

Mahan, G.D.

1992-01-01

Ferroelectricity occurs in many different kinds of materials. Many of the technologically important solids, which are ferroelectric, can be classified as ionic. Any microscopic theory of ferroelectricity must contain a description of local polarization forces. We have collaborated in the development of a theory of ionic polarization which is quite successful. Its basic assumption is that the polarization is derived from the properties of the individual ions. We have applied this theory successfully to diverse subjects as linear and nonlinear optical response, phonon dispersion, and piezoelectricity. We have developed numerical methods using the local Density approximation to calculate the multipole polarizabilities of ions when subject to various fields. We have also developed methods of calculating the nonlinear hyperpolarizability, and showed that it can be used to explain light scattering experiments. This paper elaborates on this polarization theory

When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical.

Science.gov (United States)

Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed

2017-08-01

Joint refinement of X-ray and polarized neutron diffraction data has been carried out in order to determine charge and spin density distributions simultaneously in the nitronyl nitroxide (NN) free radical Nit(SMe)Ph. For comparison purposes, density functional theory (DFT) and complete active-space self-consistent field (CASSCF) theoretical calculations were also performed. Experimentally derived charge and spin densities show significant differences between the two NO groups of the NN function that are not observed from DFT theoretical calculations. On the contrary, CASSCF calculations exhibit the same fine details as observed in spin-resolved joint refinement and a clear asymmetry between the two NO groups.

Individual effects of seasonal changes, visitor density, and concurrent bear behavior on stereotypical behaviors in captive polar bears (Ursus maritimus).

Science.gov (United States)

Kelly, Krista R; Harrison, Michelle L; Size, Daniele D; MacDonald, Suzanne E

2015-01-01

Stereotypical behaviors in captive polar bears (Ursus maritimus) can be detrimental to their welfare. These behaviors can be reduced through enrichment programs but are often not completely eliminated, so identifying potential triggers is important. The present study investigated the influences of seasonal changes, visitor density, and concurrent bear activity on stereotypical behaviors exhibited by 3 captive polar bears at the Toronto Zoo. All bears exhibited these behaviors; however, individual differences were found in duration and form. The male exhibited less stereotypical behavior during spring, and the females exhibited less stereotypical behavior during winter. An increase in visitor density was associated with more stereotypical behavior in 1 female but less stereotypical behavior in the other 2 bears. All bears engaged in more stereotypical behaviors when the other bears were inactive, and 1 female engaged in more stereotypical behaviors when the other bears were out of sight. Further, when conspecifics were active, all bears engaged in less stereotypical behaviors. Given the variability among individual bears, future enrichment programs must be tailored to the needs of individuals to maximize efficacy.

A density-dependent switch drives stochastic clustering and polarization of signaling molecules.

Directory of Open Access Journals (Sweden)

Alexandra Jilkine

2011-11-01

Full Text Available Positive feedback plays a key role in the ability of signaling molecules to form highly localized clusters in the membrane or cytosol of cells. Such clustering can occur in the absence of localizing mechanisms such as pre-existing spatial cues, diffusional barriers, or molecular cross-linking. What prevents positive feedback from amplifying inevitable biological noise when an un-clustered "off" state is desired? And, what limits the spread of clusters when an "on" state is desired? Here, we show that a minimal positive feedback circuit provides the general principle for both suppressing and amplifying noise: below a critical density of signaling molecules, clustering switches off; above this threshold, highly localized clusters are recurrently generated. Clustering occurs only in the stochastic regime, suggesting that finite sizes of molecular populations cannot be ignored in signal transduction networks. The emergence of a dominant cluster for finite numbers of molecules is partly a phenomenon of random sampling, analogous to the fixation or loss of neutral mutations in finite populations. We refer to our model as the "neutral drift polarity model." Regulating the density of signaling molecules provides a simple mechanism for a positive feedback circuit to robustly switch between clustered and un-clustered states. The intrinsic ability of positive feedback both to create and suppress clustering is a general mechanism that could operate within diverse biological networks to create dynamic spatial organization.

Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group

Science.gov (United States)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

2018-05-01

We present a state interaction spin-orbit coupling method to calculate electron paramagnetic resonance g-tensors from density matrix renormalization group wavefunctions. We apply the technique to compute g-tensors for the TiF3 and CuCl42 - complexes, a [2Fe-2S] model of the active center of ferredoxins, and a Mn4CaO5 model of the S2 state of the oxygen evolving complex. These calculations raise the prospects of determining g-tensors in multireference calculations with a large number of open shells.

Retrieving simulated volcanic, desert dust and sea-salt particle properties from two/three-component particle mixtures using UV-VIS polarization lidar and T matrix

Directory of Open Access Journals (Sweden)

G. David

2013-07-01

Full Text Available During transport by advection, atmospheric nonspherical particles, such as volcanic ash, desert dust or sea-salt particles experience several chemical and physical processes, leading to a complex vertical atmospheric layering at remote sites where intrusion episodes occur. In this paper, a new methodology is proposed to analyse this complex vertical layering in the case of a two/three-component particle external mixtures. This methodology relies on an analysis of the spectral and polarization properties of the light backscattered by atmospheric particles. It is based on combining a sensitive and accurate UV-VIS polarization lidar experiment with T-matrix numerical simulations and air mass back trajectories. The Lyon UV-VIS polarization lidar is used to efficiently partition the particle mixture into its nonspherical components, while the T-matrix method is used for simulating the backscattering and depolarization properties of nonspherical volcanic ash, desert dust and sea-salt particles. It is shown that the particle mixtures' depolarization ratio δ p differs from the nonspherical particles' depolarization ratio δns due to the presence of spherical particles in the mixture. Hence, after identifying a tracer for nonspherical particles, particle backscattering coefficients specific to each nonspherical component can be retrieved in a two-component external mixture. For three-component mixtures, the spectral properties of light must in addition be exploited by using a dual-wavelength polarization lidar. Hence, for the first time, in a three-component external mixture, the nonsphericity of each particle is taken into account in a so-called 2β + 2δ formalism. Applications of this new methodology are then demonstrated in two case studies carried out in Lyon, France, related to the mixing of Eyjafjallajökull volcanic ash with sulfate particles (case of a two-component mixture and to the mixing of dust with sea-salt and water-soluble particles

Wigner Function:from Ensemble Average of Density Operator to Its One Matrix Element in Entangled Pure States

Institute of Scientific and Technical Information of China (English)

FAN Hong-Yi

2002-01-01

We show that the Wigner function W = Tr(△ρ) (an ensemble average of the density operator ρ, △ is theWigner operator) can be expressed as a matrix element of ρ in the entangled pure states. In doing so, converting fromquantum master equations to time-evolution equation of the Wigner functions seems direct and concise. The entangledstates are defined in the enlarged Fock space with a fictitious freedom.

Matrix models with γstring>0

International Nuclear Information System (INIS)

Marzban, C.; Viswanathan, R.R.

1990-12-01

Within the framework of c = 1 matrix models, we consider multi-matrix models. A connection is established between a D-dimensional gas of fermions (bosons) for odd (even) values of D. A statistical mechanical analysis yields the scaling law for the free energy, and hence the susceptibility exponents for the various models. The exponents turn out to be positive for the multi-matrix models, suggesting that these could represent models of 2 d-gravity coupled to c>1 matter. Whereas in the c=1 case the density of states itself diverges as one approaches the critical point, in the D-matrix models various derivatives of the density of states diverge, with the order of the derivative depending on D. This qualitatively different behaviour of the density of states could be a signal of the conjectured ''phase transition'' at c=1. (author). 14 refs

Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

Energy Technology Data Exchange (ETDEWEB)

Roemelt, Michael, E-mail: michael.roemelt@theochem.rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Germany and Max-Planck Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany)

2015-07-28

Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctions are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.

CALCULATION OF THE PROTON-TRANSFER RATE USING DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS - INCLUSION OF THE PROTON EXCITED-STATES

NARCIS (Netherlands)

MAVRI, J; BERENDSEN, HJC

1995-01-01

The methodology for treatment of proton transfer processes by density matrix evolution (DME) with inclusion of many excited states is presented. The DME method (Berendsen, H. J. C.; Mavri, J. J. Phys. Chem. 1993, 97, 13464) that simulates the dynamics of quantum systems embedded in a classical

Problems in obtaining polarized e+ and e- beams and perspectives for PEP

International Nuclear Information System (INIS)

Chao, A.W.

1980-09-01

A matrix formalism for polarization calculation, as well as its comparison with other methods, is briefly discussed. The prediction for SPEAR is compared with experimental measurements. An estimate is offered for the transverse polarization for PEP. Various schemes for obtaining the longitudinal polarization in PEP are studied

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

International Nuclear Information System (INIS)

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

2005-01-01

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

Ground states of linear rotor chains via the density matrix renormalization group

Science.gov (United States)

Iouchtchenko, Dmitri; Roy, Pierre-Nicholas

2018-04-01

In recent years, experimental techniques have enabled the creation of ultracold optical lattices of molecules and endofullerene peapod nanomolecular assemblies. It was previously suggested that the rotor model resulting from the placement of dipolar linear rotors in one-dimensional lattices at low temperature has a transition between ordered and disordered phases. We use the density matrix renormalization group (DMRG) to compute ground states of chains of up to 100 rotors and provide further evidence of the phase transition in the form of a diverging entanglement entropy. We also propose two methods and present some first steps toward rotational spectra of such molecular assemblies using DMRG. The present work showcases the power of DMRG in this new context of interacting molecular rotors and opens the door to the study of fundamental questions regarding criticality in systems with continuous degrees of freedom.

Origin of the quasiparticle peak in the spectral density of Cr(001) surfaces

Science.gov (United States)

Peters, L.; Jacob, D.; Karolak, M.; Lichtenstein, A. I.; Katsnelson, M. I.

2017-12-01

In the spectral density of Cr(001) surfaces, a sharp resonance close to the Fermi level is observed in both experiment and theory. For the physical origin of this peak, two mechanisms were proposed: a single-particle dz2 surface state renormalized by electron-phonon coupling and an orbital Kondo effect due to the degenerate dx z/dy z states. Despite several experimental and theoretical investigations, the origin is still under debate. In this work, we address this problem by two different approaches of the dynamical mean-field theory: first, by the spin-polarized T -matrix fluctuation exchange approximation suitable for weakly and moderately correlated systems; second, by the noncrossing approximation derived in the limit of weak hybridization (i.e., for strongly correlated systems) capturing Kondo-type processes. By using recent continuous-time quantum Monte Carlo calculations as a benchmark, we find that the high-energy features, everything except the resonance, of the spectrum are captured within the spin-polarized T -matrix fluctuation exchange approximation. More precisely, the particle-particle processes provide the main contribution. For the noncrossing approximation, it appears that spin-polarized calculations suffer from spurious behavior at the Fermi level. Then, we turned to non-spin-polarized calculations to avoid this unphysical behavior. By employing two plausible starting hybridization functions, it is observed that the characteristics of the resonance are crucially dependent on the starting point. It appears that only one of these starting hybridizations could result in an orbital Kondo resonance in the presence of a strong magnetic field like in the Cr(001) surface. It is for a future investigation to first resolve the unphysical behavior within the spin-polarized noncrossing approximation and then check for an orbital Kondo resonance.

Geometric algebra description of polarization mode dispersion, polarization-dependent loss, and Stokes tensor transformations.

Science.gov (United States)

Soliman, George; Yevick, David; Jessop, Paul

2014-09-01

This paper demonstrates that numerous calculations involving polarization transformations can be condensed by employing suitable geometric algebra formalism. For example, to describe polarization mode dispersion and polarization-dependent loss, both the material birefringence and differential loss enter as bivectors and can be combined into a single symmetric quantity. Their frequency and distance evolution, as well as that of the Stokes vector through an optical system, can then each be expressed as a single compact expression, in contrast to the corresponding Mueller matrix formulations. The intrinsic advantage of the geometric algebra framework is further demonstrated by presenting a simplified derivation of generalized Stokes parameters that include the electric field phase. This procedure simultaneously establishes the tensor transformation properties of these parameters.

Mechanisms Affecting Population Density in Fragmented Habitat

Directory of Open Access Journals (Sweden)

Lutz Tischendorf

2005-06-01

Full Text Available We conducted a factorial simulation experiment to analyze the relative importance of movement pattern, boundary-crossing probability, and mortality in habitat and matrix on population density, and its dependency on habitat fragmentation, as well as inter-patch distance. We also examined how the initial response of a species to a fragmentation event may affect our observations of population density in post-fragmentation experiments. We found that the boundary-crossing probability from habitat to matrix, which partly determines the emigration rate, is the most important determinant for population density within habitat patches. The probability of crossing a boundary from matrix to habitat had a weaker, but positive, effect on population density. Movement behavior in habitat had a stronger effect on population density than movement behavior in matrix. Habitat fragmentation and inter-patch distance may have a positive or negative effect on population density. The direction of both effects depends on two factors. First, when the boundary-crossing probability from habitat to matrix is high, population density may decline with increasing habitat fragmentation. Conversely, for species with a high matrix-to-habitat boundary-crossing probability, population density may increase with increasing habitat fragmentation. Second, the initial distribution of individuals across the landscape: we found that habitat fragmentation and inter-patch distance were positively correlated with population density when individuals were distributed across matrix and habitat at the beginning of our simulation experiments. The direction of these relationships changed to negative when individuals were initially distributed across habitat only. Our findings imply that the speed of the initial response of organisms to habitat fragmentation events may determine the direction of observed relationships between habitat fragmentation and population density. The time scale of post

Vortex phase-induced changes of the statistical properties of a partially coherent radially polarized beam.

Science.gov (United States)

Guo, Lina; Chen, Yahong; Liu, Xianlong; Liu, Lin; Cai, Yangjian

2016-06-27

Partially coherent radially polarized (PCRP) beam was introduced and generated in recent years. In this paper, we investigate the statistical properties of a PCRP beam embedded with a vortex phase (i.e., PCRP vortex beam). We derive the analytical formula for the cross-spectral density matrix of a PCRP vortex beam propagating through a paraxial ABCD optical system and analyze the statistical properties of a PCRP vortex beam focused by a thin lens. It is found that the statistical properties of a PCRP vortex beam on propagation are much different from those of a PCRP beam. The vortex phase induces not only the rotation of the beam spot, but also the changes of the beam shape, the degree of polarization and the state of polarization. We also find that the vortex phase plays a role of resisting the coherence-induced degradation of the intensity distribution and the coherence-induced depolarization. Furthermore, we report experimental generation of a PCRP vortex beam for the first time. Our results will be useful for trapping and rotating particles, free-space optical communications and detection of phase object.

Optimization of incident EC wave polarization in real-time polarization scan experiments on LHD

International Nuclear Information System (INIS)

Tsujimura, Toru I.; Mizuno, Yoshinori; Makino, Ryohei

2016-01-01

Real-time polarization scan experiments were performed on the Large Helical Device (LHD) to search an optimal incident wave polarization for electron cyclotron resonance heating. The obtained optimal polarization state to maximize the power absorption to the LHD plasma is compared with the ray-tracing code that includes mode content analyses, which indicates that the calculated results are generally in good agreement with the experimental results. The analyses show that optimal coupling to plasma waves requires a fine adjustment for an incident wave polarization even for perpendicular injection due to the finite density profile and the magnetic shear at the peripheral region. (author)

Reduced density-matrix functional theory: Correlation and spectroscopy.

Science.gov (United States)

Di Sabatino, S; Berger, J A; Reining, L; Romaniello, P

2015-07-14

In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard dimer at 1/4 and 1/2 fillings as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison, we also report the results of the GW approximation, where the self-energy functional is approximated, but no further hypothesis is made concerning the approximations of the observables. In particular, we focus on the atomic limit, where the two sites of the dimer are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard dimer at 1/2 filling with or without a spin-symmetry-broken ground state allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GW, the signature of strong correlation is present, when looking at the removal/addition energies and spectral function from the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover, we show how the spectroscopic properties change from one spin structure to the other.

Inclusive J/{psi} photoproduction and polarization at HERA in the k{sub T}-factorization approach

Energy Technology Data Exchange (ETDEWEB)

Baranov, S.P. [P.N. Lebedev Physics Institute, Moscow (Russian Federation); Lipatov, A.V.; Zotov, N.P. [M.V. Lomonosov Moscow State Univ. (Russian Federation). D.V. Skobeltsyn Institute of Nuclear Physics

2010-12-15

We investigate the inclusive photoproduction of J/{psi} mesons at HERA within the framework of the k{sub T} -factorization QCD approach. Our consideration is based on the color singlet model supplemented with the relevant off-shell matrix elements and the CCFM and KMR unintegrated gluon densities in a proton and in a photon. Both the direct and resolved photon contributions are taken into account. Our predictions are compared with the recent experimental data taken by the H1 and ZEUS collaborations. Special attention is put on the J/{psi} polarization parameters {lambda} and {nu} which are sensitive to the production dynamics. (orig.)

Full-Stokes polarimetry with circularly polarized feeds. Sources with stable linear and circular polarization in the GHz regime

Science.gov (United States)

Myserlis, I.; Angelakis, E.; Kraus, A.; Liontas, C. A.; Marchili, N.; Aller, M. F.; Aller, H. D.; Karamanavis, V.; Fuhrmann, L.; Krichbaum, T. P.; Zensus, J. A.

2018-01-01

We present an analysis pipeline that enables the recovery of reliable information for all four Stokes parameters with high accuracy. Its novelty relies on the effective treatment of the instrumental effects even before the computation of the Stokes parameters, contrary to conventionally used methods such as that based on the Müller matrix. For instance, instrumental linear polarization is corrected across the whole telescope beam and significant Stokes Q and U can be recovered even when the recorded signals are severely corrupted by instrumental effects. The accuracy we reach in terms of polarization degree is of the order of 0.1-0.2%. The polarization angles are determined with an accuracy of almost 1°. The presented methodology was applied to recover the linear and circular polarization of around 150 active galactic nuclei, which were monitored between July 2010 and April 2016 with the Effelsberg 100-m telescope at 4.85 GHz and 8.35 GHz with a median cadence of 1.2 months. The polarized emission of the Moon was used to calibrate the polarization angle measurements. Our analysis showed a small system-induced rotation of about 1° at both observing frequencies. Over the examined period, five sources have significant and stable linear polarization; three sources remain constantly linearly unpolarized; and a total of 11 sources have stable circular polarization degree mc, four of them with non-zero mc. We also identify eight sources that maintain a stable polarization angle. All this is provided to the community for future polarization observations reference. We finally show that our analysis method is conceptually different from those traditionally used and performs better than the Müller matrix method. Although it has been developed for a system equipped with circularly polarized feeds, it can easily be generalized to systems with linearly polarized feeds as well. The data used to create Fig. C.1 are only available at the CDS via anonymous ftp to http

Differential cross sections and spin density matrix elements for the reaction gamma p -> p omega

Energy Technology Data Exchange (ETDEWEB)

M. Williams, D. Applegate, M. Bellis, C.A. Meyer

2009-12-01

High-statistics differential cross sections and spin density matrix elements for the reaction gamma p -> p omega have been measured using the CLAS at Jefferson Lab for center-of-mass (CM) energies from threshold up to 2.84 GeV. Results are reported in 112 10-MeV wide CM energy bins, each subdivided into cos(theta_CM) bins of width 0.1. These are the most precise and extensive omega photoproduction measurements to date. A number of prominent structures are clearly present in the data. Many of these have not previously been observed due to limited statistics in earlier measurements.

Sensitivity enhancement by multiple-contact cross-polarization under magic-angle spinning.

Science.gov (United States)

Raya, J; Hirschinger, J

2017-08-01

Multiple-contact cross-polarization (MC-CP) is applied to powder samples of ferrocene and l-alanine under magic-angle spinning (MAS) conditions. The method is described analytically through the density matrix formalism. The combination of a two-step memory function approach and the Anderson-Weiss approximation is found to be particularly useful to derive approximate analytical solutions for single-contact Hartmann-Hahn CP (HHCP) and MC-CP dynamics under MAS. We show that the MC-CP sequence requiring no pulse-shape optimization yields higher polarizations at short contact times than optimized adiabatic passage through the HH condition CP (APHH-CP) when the MAS frequency is comparable to the heteronuclear dipolar coupling, i.e., when APHH-CP through a single sideband matching condition is impossible or difficult to perform. It is also shown that the MC-CP sideband HH conditions are generally much broader than for single-contact HHCP and that efficient polarization transfer at the centerband HH condition can be reintroduced by rotor-asynchronous multiple equilibrations-re-equilibrations with the proton spin bath. Boundary conditions for the successful use of the MC-CP experiment when relying on spin-lattice relaxation for repolarization are also examined. Copyright © 2017 Elsevier Inc. All rights reserved.

Density-matrix-functional calculations for matter in strong magnetic fields: Ground states of heavy atoms

DEFF Research Database (Denmark)

Johnsen, Kristinn; Yngvason, Jakob

1996-01-01

We report on a numerical study of the density matrix functional introduced by Lieb, Solovej, and Yngvason for the investigation of heavy atoms in high magnetic fields. This functional describes exactly the quantum mechanical ground state of atoms and ions in the limit when the nuclear charge Z...... and the electron number N tend to infinity with N/Z fixed, and the magnetic field B tends to infinity in such a way that B/Z4/3→∞. We have calculated electronic density profiles and ground-state energies for values of the parameters that prevail on neutron star surfaces and compared them with results obtained...... by other methods. For iron at B=1012 G the ground-state energy differs by less than 2% from the Hartree-Fock value. We have also studied the maximal negative ionization of heavy atoms in this model at various field strengths. In contrast to Thomas-Fermi type theories atoms can bind excess negative charge...

One-Photon Absorption Properties from a Hybrid Polarizable Density Embedding/Complex Polarization Propagator Approach for Polarizable Solutions

DEFF Research Database (Denmark)

Hršak, Dalibor; Nørby, Morten Steen; Coriani, Sonia

2018-01-01

We present a formulation of the polarizable density embedding (PDE) method in combination with the complex polarization propagator (CPP) method for the calculation of absorption spectra of molecules in solutions. The method is particularly useful for the calculation of near-edge X-ray absorption...... fine structure (NEXAFS) spectra. We compare the performance of PDE-CPP with the previously formulated polarizable embedding (PE)-CPP model for the calculation of the NEXAFS spectra of adenine, formamide, glycine, and adenosine triphosphate (ATP) in water at the carbon and nitrogen K-edges, as well...

Recursive model for the fragmentation of polarized quarks

Science.gov (United States)

Kerbizi, A.; Artru, X.; Belghobsi, Z.; Bradamante, F.; Martin, A.

2018-04-01

We present a model for Monte Carlo simulation of the fragmentation of a polarized quark. The model is based on string dynamics and the 3P0 mechanism of quark pair creation at string breaking. The fragmentation is treated as a recursive process, where the splitting function of the subprocess q →h +q' depends on the spin density matrix of the quark q . The 3P0 mechanism is parametrized by a complex mass parameter μ , the imaginary part of which is responsible for single spin asymmetries. The model has been implemented in a Monte Carlo program to simulate jets made of pseudoscalar mesons. Results for single hadron and hadron pair transverse-spin asymmetries are found to be in agreement with experimental data from SIDIS and e+e- annihilation. The model predictions on the jet-handedness are also discussed.

R-matrix analysis code (RAC)

International Nuclear Information System (INIS)

Chen Zhenpeng; Qi Huiquan

1990-01-01

A comprehensive R-matrix analysis code has been developed. It is based on the multichannel and multilevel R-matrix theory and runs in VAX computer with FORTRAN-77. With this code many kinds of experimental data for one nuclear system can be fitted simultaneously. The comparisions between code RAC and code EDA of LANL are made. The data show both codes produced the same calculation results when one set of R-matrix parameters was used. The differential cross section of 10 B (n, α) 7 Li for E n = 0.4 MeV and the polarization of 16 O (n,n) 16 O for E n = 2.56 MeV are presented

Quantum phase transition by employing trace distance along with the density matrix renormalization group

International Nuclear Information System (INIS)

Luo, Da-Wei; Xu, Jing-Bo

2015-01-01

We use an alternative method to investigate the quantum criticality at zero and finite temperature using trace distance along with the density matrix renormalization group. It is shown that the average correlation measured by the trace distance between the system block and environment block in a DMRG sweep is able to detect the critical points of quantum phase transitions at finite temperature. As illustrative examples, we study spin-1 XXZ chains with uniaxial single-ion-type anisotropy and the Heisenberg spin chain with staggered coupling and external magnetic field. It is found that the trace distance shows discontinuity at the critical points of quantum phase transition and can be used as an indicator of QPTs

Electrocnecical behaviour of zirconium during its anodic polarization in nitrate solutions

International Nuclear Information System (INIS)

Stabrovskij, A.I.; Karasev, A.F.

1983-01-01

Electrochemical behaviour of zirconium during its anodic polarization in nitrate solutions is investigated in detail to find the method of its complete dissolution. A study has been made of the influence of varioUs factors: current density electric potential, composition and temperature of the solution, anodic polarization duration on the Zr anodic polarization in nitric acid, on the maximum permissible current density and on the zirconium yield to the solution. The zirconium polarization decreases with an acid concentration and temperature increase and increases with the current density. Iron nitrate additions to nitric acid decrease, while ammonium fluoride additions increase zirconium yield into the solution

The optics of secondary polarized proton beams

International Nuclear Information System (INIS)

Carey, D.C.

1990-05-01

Polarized protons can be produced by the parity-violating decay of either lambda or sigma hyperons. A secondary bema of polarized protons can then be produced without the difficult procedure of accelerating polarized protons. The preservation of the polarization while the protons are being transmitted to a final focus places stringent limitations on the optics of the beam line. The equations of motion of a polarized particle in a magnetic field have been solved to first order for quadrupole and dipole magnets. The lowest order terms indicate that the polarization vector will be restored to its original direction upon passage through a magnetic system if the momentum vector is unaltered. Higher-order terms may be derived by an expansion in commutators of the rotation matrix and its longitudinal derivative. The higher-order polarization rotation terms then arise from the non-commutivity of the rotation matrices by large angles in three-dimensional space. 5 refs., 3 figs

Analytical expression for a post-quench time evolution of the one-body density matrix of one-dimensional hard-core bosons

NARCIS (Netherlands)

De Nardis, J.; Caux, J.-S.

2014-01-01

We apply the logic of the quench action to give an exact analytical expression for the time evolution of the one-body density matrix after an interaction quench in the Lieb-Liniger model from the ground state of the free theory (BEC state) to the infinitely repulsive regime. In this limit there

Manifestation of neutral weak currents in the e+e-annihilation

International Nuclear Information System (INIS)

Rekalo, M.P.; Gakh, G.I.; Korzh, A.P.

1980-01-01

The polarization effects, caused by the interference between electromagnetic and neutral weak currents mechanisms, are investigated for the inclusive V-meson production in the e + e - - annihilation. The polarization states of the V-meson are discussed in detail. We use three decriptions of the V-meson polarization. They are: the 4-vector of spin and quadrupole tensor description, the polarization vector description and the density matrix, formalis. The collision of the polarized beams is characterized by the virtual photon and Z-boson density matrix in the helicity representation

Analysis of polarization introduced due to the telescope optics of the Thirty Meter Telescope

Science.gov (United States)

Anche, Ramya Manjunath; Sen, Asoke Kumar; Anupama, Gadiyara Chakrapani; Sankarasubramanian, Kasiviswanathan; Skidmore, Warren

2018-01-01

An analytical model has been developed to estimate the polarization effects, such as instrumental polarization (IP), crosstalk (CT), and depolarization, due to the optics of the Thirty Meter Telescope. These are estimated for the unvignetted field-of-view and the wavelengths of interest. The model estimates an IP of 1.26% and a CT of 44% at the Nasmyth focus of the telescope at the wavelength of 0.6 μm at field angle zero with the telescope pointing to zenith. Mueller matrices have been estimated for the primary, secondary, and Nasmyth mirrors. It is found that some of the Mueller matrix elements of the primary and secondary mirrors show a fourfold azimuthal antisymmetry, which indicates that the polarization at the Cassegrain focus is negligible. At the inclined Nasmyth mirror, there is no azimuthal antisymmetry in the matrix elements, and this results in nonzero values for IP and CT, which would negatively impact the polarization measurements at the telescope focus. The averaged Mueller matrix is estimated at the Nasmyth focus at different instrument ports and various zenith angles of the telescope. The variation in the Mueller matrix elements for different coatings is also estimated. The impact of this polarization effect on the science case requirements has been discussed. This analysis will help in achieving precise requirements for future instruments with polarimetric capability.

Efficient perturbation theory to improve the density matrix renormalization group

Science.gov (United States)

Tirrito, Emanuele; Ran, Shi-Ju; Ferris, Andrew J.; McCulloch, Ian P.; Lewenstein, Maciej

2017-02-01

The density matrix renormalization group (DMRG) is one of the most powerful numerical methods available for many-body systems. It has been applied to solve many physical problems, including the calculation of ground states and dynamical properties. In this work, we develop a perturbation theory of the DMRG (PT-DMRG) to greatly increase its accuracy in an extremely simple and efficient way. Using the canonical matrix product state (MPS) representation for the ground state of the considered system, a set of orthogonal basis functions {| ψi> } is introduced to describe the perturbations to the ground state obtained by the conventional DMRG. The Schmidt numbers of the MPS that are beyond the bond dimension cutoff are used to define these perturbation terms. The perturbed Hamiltonian is then defined as H˜i j= ; its ground state permits us to calculate physical observables with a considerably improved accuracy compared to the original DMRG results. We benchmark the second-order perturbation theory with the help of a one-dimensional Ising chain in a transverse field and the Heisenberg chain, where the precision of the DMRG is shown to be improved O (10 ) times. Furthermore, for moderate L the errors of the DMRG and PT-DMRG both scale linearly with L-1 (with L being the length of the chain). The linear relation between the dimension cutoff of the DMRG and that of the PT-DMRG at the same precision shows a considerable improvement in efficiency, especially for large dimension cutoffs. In the thermodynamic limit we show that the errors of the PT-DMRG scale with √{L-1}. Our work suggests an effective way to define the tangent space of the ground-state MPS, which may shed light on the properties beyond the ground state. This second-order PT-DMRG can be readily generalized to higher orders, as well as applied to models in higher dimensions.

Spin-orbit torque induced magnetic vortex polarity reversal utilizing spin-Hall effect

Science.gov (United States)

Li, Cheng; Cai, Li; Liu, Baojun; Yang, Xiaokuo; Cui, Huanqing; Wang, Sen; Wei, Bo

2018-05-01

We propose an effective magnetic vortex polarity reversal scheme that makes use of spin-orbit torque introduced by spin-Hall effect in heavy-metal/ferromagnet multilayers structure, which can result in subnanosecond polarity reversal without endangering the structural stability. Micromagnetic simulations are performed to investigate the spin-Hall effect driven dynamics evolution of magnetic vortex. The mechanism of magnetic vortex polarity reversal is uncovered by a quantitative analysis of exchange energy density, magnetostatic energy density, and their total energy density. The simulation results indicate that the magnetic vortex polarity is reversed through the nucleation-annihilation process of topological vortex-antivortex pair. This scheme is an attractive option for ultra-fast magnetic vortex polarity reversal, which can be used as the guidelines for the choice of polarity reversal scheme in vortex-based random access memory.

A snapshot of the polar ionosphere

International Nuclear Information System (INIS)

Whitteker, J.H.

1976-01-01

This paper presents a picture of the north polar F layer and topside ionosphere obtained primarily from three satellites (Alouette 2, ISIS 1, ISIS 2), that passed over the region within a time interval of ca. 50 min on 25 April 1971, a magnetically quiet day. The horizontal distribution of electron densities at the peak of the F layer is found to be similar to synoptic results from the IGY. Energetic particle and ionospheric plasma data are also presented, and the F layer data are discussed in terms of these measurements, and also in terms of electric field and neutral N 2 density measurements made by other satellites on other occasions. The major features observed are as follows: A tongue of F region ionization extends from the dayside across the polar cap, which is accounted for by antisunward drift due to magnetospheric convection. In the F layer and topside ionosphere, the main effect of auroral precipitation appears to be heating and expansion of the topside. A region of low F layer density appears on the morning side of the polar cap, which may be due to convection and possibly also to enhanced N 2 densities. (author)

Degrees of polarization for a quantum field

International Nuclear Information System (INIS)

Sanchez-Soto, L L; Soederholm, J; Yustas, E C; Klimov, A B; Bjoerk, G

2006-01-01

Unpolarized light is invariant with respect to any SU(2) polarization transformation. Since this fully characterizes the set of density matrices representing unpolarized states, we introduce the degree of polarization of a quantum state as its distance to the set of unpolarized states. We discuss different candidates of distance, and show that they induce fundamentally different degrees of polarization

Measurement of the spin density matrix for the $\\rho^0$, $K^{*0}(892)$ and $\\phi$ produced in $Z^0$ Decays

CERN Document Server

Abreu, P; Adye, T; Alekseev, G D; Alemany, R; Allport, P P; Almehed, S; Amaldi, Ugo; Amato, S; Andersson, P; Andreazza, A; Antilogus, P; Apel, W D; Arnoud, Y; Åsman, B; Augustin, J E; Augustinus, A; Baillon, Paul; Bambade, P; Barão, F; Barbi, M S; Barbiellini, Guido; Bardin, Dimitri Yuri; Barker, G; Baroncelli, A; Bärring, O; Bates, M J; Battaglia, Marco; Baubillier, M; Baudot, J; Becks, K H; Begalli, M; Beillière, P; Belokopytov, Yu A; Benvenuti, Alberto C; Bérat, C; Berggren, M; Bertini, D; Bertrand, D; Besançon, M; Bianchi, F; Bigi, M; Bilenky, S M; Billoir, P; Bizouard, M A; Bloch, D; Blume, M; Bonesini, M; Bonivento, W; Booth, P S L; Borgland, A W; Borisov, G; Bosio, C; Botner, O; Boudinov, E; Bouquet, B; Bourdarios, C; Bowcock, T J V; Bozzo, M; Branchini, P; Brand, K D; Brenke, T; Brenner, R A; Bricman, C; Brown, R C A; Brückman, P; Brunet, J M; Bugge, L; Buran, T; Burgsmüller, T; Buschmann, P; Cabrera, S; Caccia, M; Calvi, M; Camacho-Rozas, A J; Camporesi, T; Canale, V; Canepa, M; Cao, F; Carena, F; Carroll, L; Caso, Carlo; Castillo-Gimenez, M V; Cattai, A; Cavallo, F R; Chabaud, V; Chapkin, M M; Charpentier, P; Chaussard, L; Checchia, P; Chelkov, G A; Chen, M; Chierici, R; Chliapnikov, P V; Chochula, P; Chorowicz, V; Chudoba, J; Cindro, V; Collins, P; Contri, R; Cortina, E; Cosme, G; Cossutti, F; Cowell, J H; Crawley, H B; Crennell, D J; Crosetti, G; Cuevas-Maestro, J; Czellar, S; Dahm, J; D'Almagne, B; Dam, M; Damgaard, G; Dauncey, P D; Davenport, Martyn; Da Silva, W; Deghorain, A; Della Ricca, G; Delpierre, P A; Demaria, N; De Angelis, A; de Boer, Wim; De Brabandere, S; De Clercq, C; La Vaissière, C de; De Lotto, B; De Min, A; De Paula, L S; Dijkstra, H; Di Ciaccio, Lucia; Di Diodato, A; Djannati, A; Dolbeau, J; Doroba, K; Dracos, M; Drees, J; Drees, K A; Dris, M; Durand, J D; Edsall, D M; Ehret, R; Eigen, G; Ekelöf, T J C; Ekspong, Gösta; Elsing, M; Engel, J P; Erzen, B; Espirito-Santo, M C; Falk, E; Fanourakis, G K; Fassouliotis, D; Feindt, Michael; Fenyuk, A; Ferrari, P; Ferrer, A; Fichet, S; Filippas-Tassos, A; Firestone, A; Fischer, P A; Föth, H; Fokitis, E; Fontanelli, F; Formenti, F; Franek, B J; Frodesen, A G; Frühwirth, R; Fulda-Quenzer, F; Fuster, J A; Galloni, A; Gamba, D; Gandelman, M; García, C; García, J; Gaspar, C; Gasparini, U; Gavillet, P; Gazis, E N; Gelé, D; Gerber, J P; Gerdyukov, L N; Gokieli, R; Golob, B; Gonçalves, P; Gopal, Gian P; Gorn, L; Górski, M; Guz, Yu; Gracco, Valerio; Graziani, E; Green, C; Grefrath, A; Gris, P; Grosdidier, G; Grzelak, K; Günther, M; Guy, J; Hahn, F; Hahn, S; Hajduk, Z; Hallgren, A; Hamacher, K; Harris, F J; Hedberg, V; Henriques, R P; Hernández, J J; Herquet, P; Herr, H; Hessing, T L; Heuser, J M; Higón, E; Holmgren, S O; Holt, P J; Holthuizen, D J; Hoorelbeke, S; Houlden, M A; Hrubec, Josef; Huet, K; Hultqvist, K; Jackson, J N; Jacobsson, R; Jalocha, P; Janik, R; Jarlskog, C; Jarlskog, G; Jarry, P; Jean-Marie, B; Johansson, E K; Jönsson, L B; Jönsson, P E; Joram, Christian; Juillot, P; Kaiser, M; Kapusta, F; Karafasoulis, K; Katsanevas, S; Katsoufis, E C; Keränen, R; Khokhlov, Yu A; Khomenko, B A; Khovanskii, N N; King, B J; Kjaer, N J; Klapp, O; Klein, H; Kluit, P M; Knoblauch, D; Kokkinias, P; Koratzinos, M; Korcyl, K; Kostyukhin, V; Kourkoumelis, C; Kuznetsov, O; Krammer, Manfred; Kreuter, C; Kronkvist, I J; Krstic, J; Krumshtein, Z; Krupinski, W; Kubinec, P; Kucewicz, W; Kurvinen, K L; Lacasta, C; Laktineh, I; Lamsa, J; Lanceri, L; Lane, D W; Langefeld, P; Laugier, J P; Lauhakangas, R; Leder, Gerhard; Ledroit, F; Lefébure, V; Legan, C K; Leisos, A; Leitner, R; Lemonne, J; Lenzen, Georg; Lepeltier, V; Lesiak, T; Libby, J; Liko, D; Lipniacka, A; Lippi, I; Lörstad, B; Loken, J G; López, J M; Loukas, D; Lutz, P; Lyons, L; MacNaughton, J N; Maehlum, G; Mahon, J R; Maio, A; Malmgren, T G M; Malychev, V; Mandl, F; Marco, J; Marco, R P; Maréchal, B; Margoni, M; Marin, J C; Mariotti, C; Markou, A; Martínez-Rivero, C; Martínez-Vidal, F; Martí i García, S; Masik, J; Matorras, F; Matteuzzi, C; Matthiae, Giorgio; Mazzucato, M; McCubbin, M L; McKay, R; McNulty, R; McPherson, G; Medbo, J; Meroni, C; Meyer, S; Meyer, W T; Myagkov, A; Michelotto, M; Migliore, E; Mirabito, L; Mitaroff, Winfried A; Mjörnmark, U; Moa, T; Møller, R; Mönig, K; Monge, M R; Morettini, P; Müller, H; Münich, K; Mulders, M; Mundim, L M; Murray, W J; Muryn, B; Myatt, Gerald; Myklebust, T; Naraghi, F; Navarria, Francesco Luigi; Navas, S; Nawrocki, K; Negri, P; Némécek, S; Neumann, W; Neumeister, N; Nicolaidou, R; Nielsen, B S; Nieuwenhuizen, M; Nikolaenko, V; Nikolenko, M; Niss, P; Nomerotski, A; Normand, Ainsley; Nygren, A; Oberschulte-Beckmann, W; Obraztsov, V F; Olshevskii, A G; Onofre, A; Orava, Risto; Orazi, G; Österberg, K; Ouraou, A; Paganini, P; Paganoni, M; Pain, R; Palka, H; Papadopoulou, T D; Papageorgiou, K; Pape, L; Parkes, C; Parodi, F; Parzefall, U; Passeri, A; Pegoraro, M; Peralta, L; Pernegger, H; Pernicka, Manfred; Perrotta, A; Petridou, C; Petrolini, A; Phillips, H T; Piana, G; Pierre, F; Pimenta, M; Podobnik, T; Podobrin, O; Pol, M E; Polok, G; Poropat, P; Pozdnyakov, V; Privitera, P; Pukhaeva, N; Pullia, Antonio; Radojicic, D; Ragazzi, S; Rahmani, H; Ratoff, P N; Read, A L; Reale, M; Rebecchi, P; Redaelli, N G; Regler, Meinhard; Reid, D; Reinhardt, R; Renton, P B; Resvanis, L K; Richard, F; Rídky, J; Rinaudo, G; Røhne, O M; Romero, A; Ronchese, P; Roos, L; Rosenberg, E I; Rosinsky, P; Roudeau, Patrick; Rovelli, T; Ruhlmann-Kleider, V; Ruiz, A; Rybicki, K; Saarikko, H; Sacquin, Yu; Sadovskii, A; Sajot, G; Salt, J; Sannino, M; Schneider, H; Schwickerath, U; Schyns, M A E; Sciolla, G; Scuri, F; Seager, P; Sedykh, Yu; Segar, A M; Seitz, A; Sekulin, R L; Serbelloni, L; Shellard, R C; Sheridan, A; Siegrist, P; Silvestre, R; Simonetto, F; Sissakian, A N; Skaali, T B; Smadja, G; Smirnov, N; Smirnova, O G; Smith, G R; Sokolov, A; Solovyanov, O; Sosnowski, R; Souza-Santos, D; Spassoff, Tz; Spiriti, E; Sponholz, P; Squarcia, S; Stampfer, D; Stanescu, C; Stanic, S; Stapnes, Steinar; Stavitski, I; Stevenson, K; Stocchi, A; Strauss, J; Strub, R; Stugu, B; Szczekowski, M; Szeptycka, M; Tabarelli de Fatis, T; Tavernet, J P; Tegenfeldt, F; Terranova, F; Thomas, J; Tilquin, A; Timmermans, J; Tkatchev, L G; Todorov, T; Todorova, S; Toet, D Z; Tomaradze, A G; Tonazzo, A; Tortora, L; Tranströmer, G; Treille, D; Tristram, G; Trombini, A; Troncon, C; Tsirou, A L; Turluer, M L; Tyapkin, I A; Tyndel, M; Tzamarias, S; Überschär, B; Ullaland, O; Uvarov, V; Valenti, G; Vallazza, E; van Apeldoorn, G W; van Dam, P; Van Eldik, J; Van Lysebetten, A; Vassilopoulos, N; Vegni, G; Ventura, L; Venus, W A; Verbeure, F; Verlato, M; Vertogradov, L S; Vilanova, D; Vincent, P; Vitale, L; Vlasov, E; Vodopyanov, A S; Vrba, V; Wahlen, H; Walck, C; Weiser, C; Wetherell, Alan M; Wicke, D; Wickens, J H; Wielers, M; Wilkinson, G R; Williams, W S C; Winter, M; Witek, M; Wlodek, T; Yi, J; Yip, K; Yushchenko, O P; Zach, F; Zaitsev, A; Zalewska-Bak, A; Zalewski, Piotr; Zavrtanik, D; Zevgolatakos, E; Zimin, N I; Zucchelli, G C; Zumerle, G

1997-01-01

The spin density matrix elements for the $\\rho^0$, K$^{*0}(892)$ and $\\phi$ produced in hadronic Z$^0$ decays are measured in the DELPHI detector. There is no evidence for spin alignment of the K$^{*0}(892)$ and $\\phi$ in the region $x_p \\leq 0.3$ ($x_p = p/p_{beam}$), where $\\rho_{00} = 0.33 \\pm 0.05$ and $\\rho_{00} = 0.30 \\pm 0.04$, respectively. In the fragmentation region, $x_p \\geq 0.4$, there is some indication for spin alignment of the $\\rho^0$ and K$^{*0}(892)$, since $\\rho_{00} = 0.43 \\pm 0.05$ and $\\rho_{00} = 0.46 \\pm 0.08$, respectively. These values are compared with those found in meson-induced hadronic reactions. For the $\\phi$, $\\rho_{00} = 0.30 \\pm 0.04$ for $x_p \\geq 0.4$ and $0.55 \\pm 0.10$ for $x_p \\geq 0.7$. The off-diagonal spin density matrix element $\\rho_{1-1}$ is consistent with zero in all cases.

Statistics of polarization speckle: theory versus experiment

DEFF Research Database (Denmark)

Wang, Wei; Hanson, Steen Grüner; Takeda, Mitsuo

2010-01-01

In this paper, we reviewed our recent work on the statistical properties of polarization speckle, described by stochastic Stokes parameters fluctuating in space. Based on the Gaussian assumption for the random electric field components and polar-interferometer, we investigated theoretically...... and experimentally the statistics of Stokes parameters of polarization speckle, including probability density function of Stokes parameters with the spatial degree of polarization, autocorrelation of Stokes vector and statistics of spatial derivatives for Stokes parameters....

Estimating Allee dynamics before they can be observed: polar bears as a case study.

Science.gov (United States)

Molnár, Péter K; Lewis, Mark A; Derocher, Andrew E

2014-01-01

Allee effects are an important component in the population dynamics of numerous species. Accounting for these Allee effects in population viability analyses generally requires estimates of low-density population growth rates, but such data are unavailable for most species and particularly difficult to obtain for large mammals. Here, we present a mechanistic modeling framework that allows estimating the expected low-density growth rates under a mate-finding Allee effect before the Allee effect occurs or can be observed. The approach relies on representing the mechanisms causing the Allee effect in a process-based model, which can be parameterized and validated from data on the mechanisms rather than data on population growth. We illustrate the approach using polar bears (Ursus maritimus), and estimate their expected low-density growth by linking a mating dynamics model to a matrix projection model. The Allee threshold, defined as the population density below which growth becomes negative, is shown to depend on age-structure, sex ratio, and the life history parameters determining reproduction and survival. The Allee threshold is thus both density- and frequency-dependent. Sensitivity analyses of the Allee threshold show that different combinations of the parameters determining reproduction and survival can lead to differing Allee thresholds, even if these differing combinations imply the same stable-stage population growth rate. The approach further shows how mate-limitation can induce long transient dynamics, even in populations that eventually grow to carrying capacity. Applying the models to the overharvested low-density polar bear population of Viscount Melville Sound, Canada, shows that a mate-finding Allee effect is a plausible mechanism for slow recovery of this population. Our approach is generalizable to any mating system and life cycle, and could aid proactive management and conservation strategies, for example, by providing a priori estimates of minimum

Detection of density dependence requires density manipulations and calculation of lambda.

Science.gov (United States)

Fowler, N L; Overath, R Deborah; Pease, Craig M

2006-03-01

To investigate density-dependent population regulation in the perennial bunchgrass Bouteloua rigidiseta, we experimentally manipulated density by removing adults or adding seeds to replicate quadrats in a natural population for three annual intervals. We monitored the adjacent control quadrats for 14 annual intervals. We constructed a population projection matrix for each quadrat in each interval, calculated lambda, and did a life table response experiment (LTRE) analysis. We tested the effects of density upon lambda by comparing experimental and control quadrats, and by an analysis of the 15-year observational data set. As measured by effects on lambda and on N(t+1/Nt in the experimental treatments, negative density dependence was strong: the population was being effectively regulated. The relative contributions of different matrix elements to treatment effect on lambda differed among years and treatments; overall the pattern was one of small contributions by many different life cycle stages. In contrast, density dependence could not be detected using only the observational (control quadrats) data, even though this data set covered a much longer time span. Nor did experimental effects on separate matrix elements reach statistical significance. These results suggest that ecologists may fail to detect density dependence when it is present if they have only descriptive, not experimental, data, do not have data for the entire life cycle, or analyze life cycle components separately.

Quantitatively characterizing the microstructural features of breast ductal carcinoma tissues in different progression stages by Mueller matrix microscope.

Science.gov (United States)

Dong, Yang; Qi, Ji; He, Honghui; He, Chao; Liu, Shaoxiong; Wu, Jian; Elson, Daniel S; Ma, Hui

2017-08-01

Polarization imaging has been recognized as a potentially powerful technique for probing the microstructural information and optical properties of complex biological specimens. Recently, we have reported a Mueller matrix microscope by adding the polarization state generator and analyzer (PSG and PSA) to a commercial transmission-light microscope, and applied it to differentiate human liver and cervical cancerous tissues with fibrosis. In this paper, we apply the Mueller matrix microscope for quantitative detection of human breast ductal carcinoma samples at different stages. The Mueller matrix polar decomposition and transformation parameters of the breast ductal tissues in different regions and at different stages are calculated and analyzed. For more quantitative comparisons, several widely-used image texture feature parameters are also calculated to characterize the difference in the polarimetric images. The experimental results indicate that the Mueller matrix microscope and the polarization parameters can facilitate the quantitative detection of breast ductal carcinoma tissues at different stages.

Achievement of transportable polarized D, in solid HD, with a one day passively maintained polarization

International Nuclear Information System (INIS)

Honig, A.; Alexander, N.; Fan, Q.; Wei, X.; Yu, Y.Y.

1993-01-01

At a previous workshop, we discussed evaporating solid HD with spin-polarized deuterons to produce a high density polarized deuteron gaseous internal target. Since then, we have achieved in solid HD 38% polarized D, whose spin-lattice relaxation time at 1.5 K in a field of 0.1 T is of the order of a day. Optimization of the procedure with the present apparatus should result in 60% D polarization, and longer polarization holding times. The polarized sample of approximately 0.2 cm 3 volume used here is extractable from the dilution refrigerator with a cold-transfer apparatus which maintains the sample at or below 5 K, insuring retention of the high polarization. It is subsequently insertable into a variety of systems, and employable as a polarized solid, liquid, or gas. We are exploring the possibility of extending the polarization maintenance time to about a month (with a matched 1 month preparation time), of polarizing metastably H as well as D, and of producing much larger samples, of the order of 100 cm 3

Carbon nanotube fiber terahertz polarizer

Energy Technology Data Exchange (ETDEWEB)

Zubair, Ahmed [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Tsentalovich, Dmitri E.; Young, Colin C. [Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas 77005 (United States); Heimbeck, Martin S. [Charles M. Bowden Laboratory, Aviation & Missile Research, Development, and Engineering Center (AMRDEC), Redstone Arsenal, Alabama 35898 (United States); Everitt, Henry O. [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Charles M. Bowden Laboratory, Aviation & Missile Research, Development, and Engineering Center (AMRDEC), Redstone Arsenal, Alabama 35898 (United States); Pasquali, Matteo [Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas 77005 (United States); Department of Chemistry, Rice University, Houston, Texas 77005 (United States); Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005 (United States); Kono, Junichiro, E-mail: kono@rice.edu [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005 (United States); Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States)

2016-04-04

Conventional, commercially available terahertz (THz) polarizers are made of uniformly and precisely spaced metallic wires. They are fragile and expensive, with performance characteristics highly reliant on wire diameters and spacings. Here, we report a simple and highly error-tolerant method for fabricating a freestanding THz polarizer with nearly ideal performance, reliant on the intrinsically one-dimensional character of conduction electrons in well-aligned carbon nanotubes (CNTs). The polarizer was constructed on a mechanical frame over which we manually wound acid-doped CNT fibers with ultrahigh electrical conductivity. We demonstrated that the polarizer has an extinction ratio of ∼−30 dB with a low insertion loss (<0.5 dB) throughout a frequency range of 0.2–1.1 THz. In addition, we used a THz ellipsometer to measure the Müller matrix of the CNT-fiber polarizer and found comparable attenuation to a commercial metallic wire-grid polarizer. Furthermore, based on the classical theory of light transmission through an array of metallic wires, we demonstrated the most striking difference between the CNT-fiber and metallic wire-grid polarizers: the latter fails to work in the zero-spacing limit, where it acts as a simple mirror, while the former continues to work as an excellent polarizer even in that limit due to the one-dimensional conductivity of individual CNTs.

The polarized neutron small-angle scattering instrument at BENSC Berlin

International Nuclear Information System (INIS)

Keller, T.; Krist, T.; Danzig, A.; Keiderling, U.; Mezei, F.; Wiedenmann, A.

2000-01-01

A polarized neutron beam has been installed at the small-angle neutron-scattering instrument V4 at BENSC Berlin. The main component of this new option is a 1.8 m long cavity transmission polarizer. The advantages of this device compared to the conventional bender polarizers are: (i) high transmission (35% of unpolarized beam at λ=6 A); (ii) the polarization is better than 93% in the wavelength band 4 A 3 O 4 particles embedded in a glass matrix) are presented and compared to a measurement with unpolarized neutrons

Polarized proton spin density images the tyrosyl radical locations in bovine liver catalase

Directory of Open Access Journals (Sweden)

Oliver Zimmer

2016-09-01

Full Text Available A tyrosyl radical, as part of the amino acid chain of bovine liver catalase, supports dynamic proton spin polarization (DNP. Finding the position of the tyrosyl radical within the macromolecule relies on the accumulation of proton polarization close to it, which is readily observed by polarized neutron scattering. The nuclear scattering amplitude due to the polarization of protons less than 10 Å distant from the tyrosyl radical is ten times larger than the amplitude of magnetic neutron scattering from an unpaired polarized electron of the same radical. The direction of DNP was inverted every 5 s, and the initial evolution of the intensity of polarized neutron scattering after each inversion was used to identify those tyrosines which have assumed a radical state. Three radical sites, all of them close to the molecular centre and the haem, appear to be equally possible. Among these is tyr-369, the radical state of which had previously been proven by electron paramagnetic resonance.

O+ trough zones in the polar cap ionosphere-magnetosphere coupling region

Science.gov (United States)

Horwitz, James; Zeng, Wen; Jaafari, Fajer

Regions of low-density troughs in O+ have been observed at 1 RE altitude in the polar cap ionosphere-magnetosphere region by the Thermal Ion Dynamics Experiment(TIDE) on the POLAR spacecraft. In this presentation, the UT Arlington Dynamic Fluid-Kinetic (DyFK) code is employed to investigate the formation of such O+ density troughs. We utilize convection paths of flux tubes in the high-latitude region as prescribed by an empirical convection model with solar wind inputs to track the evolution of ionospheric plasma transport and in particular O+ densities along these tubes with time/space. The flux tubes are subjected to auroral processes of precipitation and wave-driven ion heating when they pass through the auroral oval, which tends to elevate the plasma densities in these tubes. When the F-regions of such tubes traverse locations where the F-region is in darkness, recombination there causes the higher-altitude regions to drain and the densities to decline throughout. Owing to the varying effects of these processes, significant and low trough-like densities at higher altitudes developed along these flux tubes. The modeled densities near 6000 km altitudes will be compared with multiple POLAR passes featuring POLAR/TIDE-measured O+ densities for inside and outside of such trough regions.

Mueller matrix polarimetry for the characterization of complex ...

Indian Academy of Sciences (India)

Scattering; polarization; Mueller matrix; wave propagation in random media; ... Initial biomedical applications of this novel general method for polarimetry analysis in random media are also presented. ... Pramana – Journal of Physics | News.

Relationship of Quantum Entanglement to Density Functional Theory

OpenAIRE

Rajagopal, A. K.; Rendell, R. W.

2005-01-01

The maximum von Neumann entropy principle subject to given constraints of mean values of some physical observables determines the density matrix. Similarly the stationary action principle in the case of time-dependent (dissipative) situations under similar constraints yields the density matrix. The free energy and measures of entanglement are expressed in terms of such a density matrix and thus define respective functionals of the mean values. In the light of several model calculations, it is...

Optically pumped electron spin polarized targets for use in the production of polarized ion beams

International Nuclear Information System (INIS)

Anderson, L.W.

1979-01-01

The production of relatively dense electron spin polarized alkali metal vapor targets by optical pumping with intense cw dye lasers is discussed. The target density and electron spin polarization depend on the dye laser intensity and bandwidth, the magnetic field at the target, and the electron spin depolarization time. For example in a magnetic field of 1.5 x 10 3 G, and using 1 W dye laser with a bandwidth of 10 10 Hz one can construct an electron spin polarized Na vapor target with a target thickness of 1.6 x 10 13 atoms/cm 2 and an average electron spin polarization of about 90% even though the Na atoms are completely depolarized at every wall collision. Possible uses of the electron spin polarized targets for the production of intense beams of polarized H - or 3 He - ions are discussed. (orig.)

Persistent organic pollutants and penile bone mineral density in East Greenland and Canadian polar bears (Ursus maritimus) during 1996-2015.

Science.gov (United States)

Daugaard-Petersen, Tobias; Langebæk, Rikke; Rigét, Frank F; Dyck, Markus; Letcher, Robert J; Hyldstrup, Lars; Jensen, Jens-Erik Bech; Dietz, Rune; Sonne, Christian

2018-05-01

Persistent organic pollutants (POPs) are long-range transported to the Arctic via atmospheric and oceanic currents, where they biomagnify to high concentrations in the tissues of apex predators such as polar bears (Ursus maritimus). A major concern of POP exposure is their physiological effects on vital organ-tissues posing a threat to the health and survival of polar bears. Here we examined the relationship between selected POPs and baculum bone mineral density (BMD) in the East Greenland and seven Canadian subpopulations of polar bears. BMD was examined in 471 bacula collected between years 1996-2015 while POP concentrations in adipose tissue were determined in 67-192 of these individuals collected from 1999 to -2015. A geographical comparison showed that baculum BMD was significantly lowest in polar bears from East Greenland (EG) when compared to Gulf of Boothia (GB), Southern Hudson (SH) and Western Hudson (WH) Bay subpopulations (all p bears as a reference group gave a T-score of -1.44 which indicate risk of osteopenia. Concentrations of ΣPCB 74 (polychlorinated biphenyls), ΣDDT 3 (dichlorodiphenyltrichloroethanes), p,p'-DDE (dichlorodiphenyldichloroethylene), ΣHCH 3 (hexachlorohexane) and α-HCH was significantly highest in EG bears while ΣPBDE (polybrominated diphenyl ethers), BDE-47 and BDE-153 was significantly highest in SH bears (all p polar bears despite the positive statistical correlations of BMD vs. POPs. Other important factors such as nutritional status, body mass and body condition was not available for the statistical modelling. Since on-going environmental changes are known to affect these, future studies need to incorporate nutritional, endocrine and genetic parameters to further understand how POP exposure may disrupt bone homeostasis and affect baculum BMD across polar bear subpopulations. Copyright © 2018 Elsevier Ltd. All rights reserved.

Three-dimensional polarization states of monochromatic light fields.

Science.gov (United States)

Azzam, R M A

2011-11-01

The 3×1 generalized Jones vectors (GJVs) [E(x) E(y) E(z)](t) (t indicates the transpose) that describe the linear, circular, and elliptical polarization states of an arbitrary three-dimensional (3-D) monochromatic light field are determined in terms of the geometrical parameters of the 3-D vibration of the time-harmonic electric field. In three dimensions, there are as many distinct linear polarization states as there are points on the surface of a hemisphere, and the number of distinct 3-D circular polarization states equals that of all two-dimensional (2-D) polarization states on the Poincaré sphere, of which only two are circular states. The subset of 3-D polarization states that results from the superposition of three mutually orthogonal x, y, and z field components of equal amplitude is considered as a function of their relative phases. Interesting contours of equal ellipticity and equal inclination of the normal to the polarization ellipse with respect to the x axis are obtained in 2-D phase space. Finally, the 3×3 generalized Jones calculus, in which elastic scattering (e.g., by a nano-object in the near field) is characterized by the 3-D linear transformation E(s)=T E(i), is briefly introduced. In such a matrix transformation, E(i) and E(s) are the 3×1 GJVs of the incident and scattered waves and T is the 3×3 generalized Jones matrix of the scatterer at a given frequency and for given directions of incidence and scattering.

The scattering of polarized neutrons from statically polarized solid {sup 3}He

Energy Technology Data Exchange (ETDEWEB)

Haase, D.G.; Keith, C.D.; Gould, C.R.; Seely, M.L. [North Carolina State Univ., Raleigh, NC (United States)]|[Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States); Huffman, P.R.; Roberson, N.R.; Tornow, W.; Wilburn, W.S. [Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States)]|[Duke University, Durham, NC 27708-0308 (United States)

1998-01-11

We have constructed a 0.4 mole solid {sup 3}He target, cryogenically polarized at 12 mK in a field of 7 T. The 0.04 atoms/b target reached a polarization of 38% in 35 h. Such a target may be applied to any experiment which is tolerant of the large ambient magnetic field and which produces target heating of less than a microwatt. High energy neutron and photon scattering experiments meet these requirements. The target`s figure of merit for neutron transmission measurement exceeds that of polarized gas targets by greater than 35. At the Triangle Universities Nuclear Laboratory we have used the target to measure the total cross section differences {Delta}{sigma}{sub T} and {Delta}{sigma}{sub L} for incident polarized neutrons of energies 2-8 MeV. The cross section difference is sensitive to the excited state structure of the n-{sup 3}He system. The results have been compared to a recent R-matrix analysis of A=4 scattering and reaction data, and provide support for the {sup 4}He level scheme derived from that analysis. (orig.). 11 refs.

Scattered light evidence for short density heights near critical density in laser-irradiated plasmas

International Nuclear Information System (INIS)

Phillion, D.W.; Lerche, R.A.; Rupert, V.C.; Haas, R.A.; Boyle, M.J.

1976-01-01

Experimental evidence is presented of a steepened electron density profile near critical density obtained from studying the time-integrated scattered light from targets illuminated by linearly polarized, 1.06 μ light. Both 10 μ thick disks and DT-filled glass microshells were irradiated by light focused by f/1 or f/2.5 lenses in one and two-beam experiments, respectively. From the dependence of the asymmetry of the scattered light about the beam axis upon the scattering angle, scale lengths on the order of one micron are inferred. Scale lengths have also been deduced from measurements on the polarization state of the reflected light. Both analytic and numerical results are presented to show how the polarization state varies with the incidence angle and the scale length

Analysis of polarization in hydrogen bonded complexes: An asymptotic projection approach

Science.gov (United States)

Drici, Nedjoua

2018-03-01

The asymptotic projection technique is used to investigate the polarization effect that arises from the interaction between the relaxed, and frozen monomeric charge densities of a set of neutral and charged hydrogen bonded complexes. The AP technique based on the resolution of the original Kohn-Sham equations can give an acceptable qualitative description of the polarization effect in neutral complexes. The significant overlap of the electron densities, in charged and π-conjugated complexes, impose further development of a new functional, describing the coupling between constrained and non-constrained electron densities within the AP technique to provide an accurate representation of the polarization effect.

High Performance Polar Decomposition on Distributed Memory Systems

KAUST Repository

Sukkari, Dalal E.

2016-08-08

The polar decomposition of a dense matrix is an important operation in linear algebra. It can be directly calculated through the singular value decomposition (SVD) or iteratively using the QR dynamically-weighted Halley algorithm (QDWH). The former is difficult to parallelize due to the preponderant number of memory-bound operations during the bidiagonal reduction. We investigate the latter scenario, which performs more floating-point operations but exposes at the same time more parallelism, and therefore, runs closer to the theoretical peak performance of the system, thanks to more compute-bound matrix operations. Profiling results show the performance scalability of QDWH for calculating the polar decomposition using around 9200 MPI processes on well and ill-conditioned matrices of 100K×100K problem size. We study then the performance impact of the QDWH-based polar decomposition as a pre-processing step toward calculating the SVD itself. The new distributed-memory implementation of the QDWH-SVD solver achieves up to five-fold speedup against current state-of-the-art vendor SVD implementations. © Springer International Publishing Switzerland 2016.

Changes in subchondral bone mineral density and collagen matrix organization in growing horses.

Science.gov (United States)

Holopainen, Jaakko T; Brama, Pieter A J; Halmesmäki, Esa; Harjula, Terhi; Tuukkanen, Juha; van Weeren, P René; Helminen, Heikki J; Hyttinen, Mika M

2008-12-01

The effects of growth and maturation on the mineral deposition and the collagen framework of equine subchondral bone (SCB) were studied. Osteochondral specimens (diameter 6 mm) from the left metacarpophalangeal joint of 5-(n=8), 11-(n=8) and 18-month-old (n=6) horses were investigated at two differently loaded sites (Site 1 (S1): intermittent peak loading; Site 2 (S2): habitual loading). The SCB mineral density (BMD) was measured with peripheral quantitative computer tomography (pQCT), and the data were adjusted against the volume fraction (Vv) of the bone extracellular matrix (ECM). Polarised light microscopy (PLM) was used to analyze the Vv, the collagen fibril parallelism index and the orientation angle distribution in two fractions (1 mm/fraction) beneath the osteochondral junction of the SCB. PLM analysis was made along two randomly selected perpendicularly oriented vertical sections to measure the tissue anisotropy in the x-, y-, and z-directions. The BMD of SCB at S1 and S2 increased significantly during maturation. At the same time, the Vv of the ECM increased even more. This meant that the Vv-adjusted BMD decreased. There were no significant differences between sites. The basic collagen fibril framework of SCB seems to be established already at the age of 5 months. During maturation, the extracellular matrix underwent a decrease in collagen fibril parallelism but no changes in collagen orientation. The variation was negligible in the collagen network estimates in the two section planes. Growth and maturation induce significant changes in the equine SCB. The BMD increase in SCB is primarily due to the growth of bone volume and not to any increase in mineral deposition. An increase in weight-bearing appears to greatly affect the BMD and the volume of the extracellular matrix. Growth and maturation induce a striking change in collagen fibril parallelism but not in fibril orientation. The structural anisotropy of the subchondral bone is significant along the

Analyzing the propagation behavior of coherence and polarization degrees of a phase-locked partially coherent radial flat-topped array laser beam in underwater turbulence.

Science.gov (United States)

Kashani, Fatemeh Dabbagh; Yousefi, Masoud

2016-08-10

In this research, based on an analytical expression for cross-spectral density (CSD) matrix elements, coherence and polarization properties of phase-locked partially coherent flat-topped (PCFT) radial array laser beams propagating through weak oceanic turbulence are analyzed. Spectral degrees of coherence and polarization are analytically calculated using CSD matrix elements. Also, the effective width of spatial degree of coherence (EWSDC) is calculated numerically. The simulation is done by considering the effects of source parameters (such as radius of the array setup's circle, effective width of the spectral degree of coherence, and wavelength) and turbulent ocean factors (such as the rate of dissipation of the turbulent kinetic energy per unit mass of fluid and relative strength of temperature and salinity fluctuations, Kolmogorov micro-scale, and rate of dissipation of the mean squared temperature) in detail. Results indicate that any change in the amount of turbulence factors that increase the turbulence power reduces the EWSDC significantly and causes the reduction in the degree of polarization, and occurs at shorter propagation distances but with smaller magnitudes. In addition, being valid for all conditions, the degradation rate of the EWSDC of Gaussian array beams are more in comparison with the PCFT ones. The simulation and calculation results are shown by graphs.

Thermal stability of tunneling spin polarization

International Nuclear Information System (INIS)

Kant, C.H.; Kohlhepp, J.T.; Paluskar, P.V.; Swagten, H.J.M.; Jonge, W.J.M. de

2005-01-01

We present a study of the thermal stability of tunneling spin polarization in Al/AlOx/ferromagnet junctions based on the spin-polarized tunneling technique, in which the Zeeman-split superconducting density of states in the Al electrode is used as a detector for the spin polarization. Thermal robustness of the polarization, which is of key importance for the performance of magnetic tunnel junction devices, is demonstrated for post-deposition anneal temperatures up to 500 o C with Co and Co 90 Fe 10 top electrodes, independent of the presence of an FeMn layer on top of the ferromagnet

Investigation of the alpha cluster model and the density matrix expansion in ion-ion collision

International Nuclear Information System (INIS)

Rashdan, M.B.M.

1986-01-01

This thesis deals with the investigation of the alpha cluster model (ACM) of brink and studies of the accuracy of the density matrix expansion (DME) approximation in deriving the real part of the ion-ion optical potential. the ACM is applied to calculate the inelastic 0 1 + →2 1 + charge form factor for electron scattering by 12 C to investigate the validity of this model for 12 C nucleus. it is found that the experimental curve can be fitted over the entire range of the momentum transfer by a generator - coordinate state for the 2 1 + state that consist of a superposition of two triangular ACM states with two different cluster separations and the same oscillator parameter

Gravitational torque on the inner core and decadal polar motion

Science.gov (United States)

Dumberry, Mathieu

2008-03-01

A decadal polar motion with an amplitude of approximately 25 milliarcsecs (mas) is observed over the last century, a motion known as the Markowitz wobble. The origin of this motion remains unknown. In this paper, we investigate the possibility that a time-dependent axial misalignment between the density structures of the inner core and mantle can explain this signal. The longitudinal displacement of the inner core density structure leads to a change in the global moment of inertia of the Earth. In addition, as a result of the density misalignment, a gravitational equatorial torque leads to a tilt of the oblate geometric figure of the inner core, causing a further change in the global moment of inertia. To conserve angular momentum, an adjustment of the rotation vector must occur, leading to a polar motion. We develop theoretical expressions for the change in the moment of inertia and the gravitational torque in terms of the angle of longitudinal misalignment and the density structure of the mantle. A model to compute the polar motion in response to time-dependent axial inner core rotations is also presented. We show that the polar motion produced by this mechanism can be polarized about a longitudinal axis and is expected to have decadal periodicities, two general characteristics of the Markowitz wobble. The amplitude of the polar motion depends primarily on the Y12 spherical harmonic component of mantle density, on the longitudinal misalignment between the inner core and mantle, and on the bulk viscosity of the inner core. We establish constraints on the first two of these quantities from considerations of the axial component of this gravitational torque and from observed changes in length of day. These constraints suggest that the maximum polar motion from this mechanism is smaller than 1 mas, and too small to explain the Markowitz wobble.

Polarization of the coherent radio emission from pulsars

International Nuclear Information System (INIS)

Ardavan, H.

1982-01-01

The polarization characteristics of the radiation from a quasi-steady pulsar magnetosphere are calculated using the amplitude-modulated-noise interpretation of the data on pulse structures. The total emission consists of three incoherently mixed radiation streams. Two of the independent polarization states are elliptically polarized (modes I and II) and one is linearly polarized (mode III). In the regime where the length scale of the radial distribution of the electric current density is appreciably longer than the wavelength of the radiation, the position angles of modes I and II are orthogonal and those of modes I and III coincident. However, the senses of circular polarization of modes I and II are in general uncorrelated. The degrees of circular polarization of the 'orthogonal' modes are decreasing functions of frequency and both approach zero in the limit where the frequency of the radiation is much higher than the rotation frequency of the pulsar. Longitudinal changes in the position angle and in the sense of circular polarization of each of the elliptically polarized modes are shown to arise, together with mode transitions, in part from the stochastic fluctuations and in part from the systematic variations of the electric current density with the azimuthal angle, in a narrow emitting region adjacent to the light cylinder. (author)

Spin polarization of electrons in quantum wires

OpenAIRE

Vasilchenko, A. A.

2013-01-01

The total energy of a quasi-one-dimensional electron system is calculated using density functional theory. It is shown that spontaneous ferromagnetic state in quantum wire occurs at low one-dimensional electron density. The critical electron density below which electrons are in spin-polarized state is estimated analytically.

Rubber Composites Based on Polar Elastomers with Incorporated Modified and Unmodified Magnetic Filler

Directory of Open Access Journals (Sweden)

Ján Kruželák

2016-01-01

Full Text Available Rubber magnetic composites were prepared by incorporation of unmodified and surface modified strontium ferrite into rubber matrices based on NBR and NBR/PVC. Strontium ferrite was dosed to the rubber matrices in concentration scale ranging from 0 to 100 phr. The main goal was to investigate the influence of the type of ferrite on the curing process, physical-mechanical and magnetic properties of composites. The mutual interactions between the filler and rubber matrices were investigated by determination of cross-link density and SEM analysis. The incorporation of magnetic fillers leads to the increase of cross-link density and remanent magnetic induction of composites. Moreover, the improvement of physical-mechanical properties was achieved in dependence on the content of magnetic fillers. Surface modification of ferrite contributed to the enhancement of adhesion on the interphase filler-rubber. It can be stated that ferrite exhibits reinforcing effect in the composite materials and this reinforcing behavior was emphasized with the increase in polarity of the rubber matrix.

Phase diagrams of ferroelectric nanocrystals strained by an elastic matrix

Science.gov (United States)

Nikitchenko, A. I.; Azovtsev, A. V.; Pertsev, N. A.

2018-01-01

Ferroelectric crystallites embedded into a dielectric matrix experience temperature-dependent elastic strains caused by differences in the thermal expansion of the crystallites and the matrix. Owing to the electrostriction, these lattice strains may affect polarization states of ferroelectric inclusions significantly, making them different from those of a stress-free bulk crystal. Here, using a nonlinear thermodynamic theory, we study the mechanical effect of elastic matrix on the phase states of embedded single-domain ferroelectric nanocrystals. Their equilibrium polarization states are determined by minimizing a special thermodynamic potential that describes the energetics of an ellipsoidal ferroelectric inclusion surrounded by a linear elastic medium. To demonstrate the stability ranges of such states for a given material combination, we construct a phase diagram, where the inclusion’s shape anisotropy and temperature are used as two parameters. The ‘shape-temperature’ phase diagrams are calculated numerically for PbTiO3 and BaTiO3 nanocrystals embedded into representative dielectric matrices generating tensile (silica glass) or compressive (potassium silicate glass) thermal stresses inside ferroelectric inclusions. The developed phase maps demonstrate that the joint effect of thermal stresses and matrix-induced elastic clamping of ferroelectric inclusions gives rise to several important features in the polarization behavior of PbTiO3 and BaTiO3 nanocrystals. In particular, the Curie temperature displays a nonmonotonic variation with the ellipsoid’s aspect ratio, being minimal for spherical inclusions. Furthermore, the diagrams show that the polarization orientation with respect to the ellipsoid’s symmetry axis is controlled by the shape anisotropy and the sign of thermal stresses. Under certain conditions, the mechanical inclusion-matrix interaction qualitatively alters the evolution of ferroelectric states on cooling, inducing a structural transition

Determination of the full polarimetric transition matrix of a magnetized plasma from measurements of phase only

International Nuclear Information System (INIS)

Segre, S.E.

1996-09-01

It is shown that, by using a convenient modulated input polarization, it is possible to determine the full plasma polarimetric transition matrix purely from phase measurements. These are advantageous compared to previously proposed amplitude measurements. Two alternative sets of configurations for the input polarization are considered. The elements of the transition matrix thus found can be used in the reconstruction of the MHD equilibrium

Heisenberg spin-one chain in staggered magnetic field: A density matrix renormalization group study

International Nuclear Information System (INIS)

Jizhong Lou; Xi Dai; Shaojin Qin; Zhaobin Su; Lu Yu

1999-04-01

Using the density matrix renormalization group technique, we calculate numerically the low energy excitation spectrum and magnetization curve of the spin-1 antiferromagnetic chain in a staggered magnetic field, which is expected to describe the physics of R 2 BaNiO 5 (R ≠ Y) family below the Neel temperature of the magnetic rare-earth (R) sublattice. These results are valid in the entire range of the staggered field, and agree with those given by the non-linear σ model study for small fields, but differ from the latter for large fields. They are consistent with the available experimental data. The correlation functions for this model are also calculated. The transverse correlations display the anticipated exponential decay with shorter correlation length, while the longitudinal correlations show explicitly the induced staggered magnetization. (author)

Complementary analyses on the local polarity in lateral polarity-inverted GaN heterostructure on sapphire (0001) substrate

International Nuclear Information System (INIS)

Katayama, Ryuji; Kuge, Yoshihiro; Onabe, Kentaro; Matsushita, Tomonori; Kondo, Takashi

2006-01-01

The fabrication of the lateral polarity-inverted GaN heterostructure on sapphire (0001) using a radio-frequency-plasma-enhanced molecular beam epitaxy is demonstrated. Its microscopic properties such as surface potentials, piezoelectric polarizations, and residual carrier densities were investigated by Kelvin force microscopy and micro-Raman scattering. The inversion from Ga polarity to N polarity in a specific domain and its higher crystal perfection had been unambiguously confirmed by these complementary analyses. The results were also fairly consistent with that of KOH etching, which suggests the applicability of these processes to the fabrication of photonic nanostructures

Rapid radio polarization variability in the quasar 0917 + 624

Energy Technology Data Exchange (ETDEWEB)

Quirrenbach, A.; Witzel, A.; Qian, S.J.; Krichbaum, T.; Hummel, C.A.; Alberdi, A. (Max-Planck-Institut fuer Radioastronomie, Bonn 1 (DE))

1989-12-01

We have made measurements of the total flux density and the polarization of the quasar 0917+624 with a sampling of {approx} 1 hour using the 100 m telescope of the Max-Planck-Institut fuer Radioastronomie (MPIfR) at 6 and 11 cm wavelength. The total flux density showed variations with an amplitude of {approx} 25% and a typical time scale of {approx} 1 day at both wavelengths. The polarized flux density P showed even more dramatic variations with an amplitude of a factor {approx} 3, correlated with the variability of the total flux density S, P being high whenever S was low and vice versa. At 6 cm wavelength a swing of the polarization position angle {chi} of 180{sup 0} wasobserved at a time when the total flux density showed a maximum. These findings make any extrinsic explanations of the effect (e.g. scattering in the interstellar medium) very unlikely. We discuss a model which gives an explanation of the observed variability in terms of shocks propagating in a magnetized jet.

Arbitrary helicity control of circularly polarized light from lateral-type spin-polarized light-emitting diodes at room temperature

Science.gov (United States)

Nishizawa, Nozomi; Aoyama, Masaki; Roca, Ronel C.; Nishibayashi, Kazuhiro; Munekata, Hiro

2018-05-01

We demonstrate arbitrary helicity control of circularly polarized light (CPL) emitted at room temperature from the cleaved side facet of a lateral-type spin-polarized light-emitting diode (spin-LED) with two ferromagnetic electrodes in an antiparallel magnetization configuration. Driving alternate currents through the two electrodes results in polarization switching of CPL with frequencies up to 100 kHz. Furthermore, tuning the current density ratio in the two electrodes enables manipulation of the degree of circular polarization. These results demonstrate arbitrary electrical control of polarization with high speed, which is required for the practical use of lateral-type spin-LEDs as monolithic CPL light sources.

Polarization effects in W+- and Z0-bosons production with γe-colliding beams

International Nuclear Information System (INIS)

Koval'chuk, V.A.; Stoletnij, I.V.

1984-01-01

The helicity amplitudes and differential cross sections of the processes γe → Ze and γe → Wνsub(e) are obtained as well as the density matrix for the vector boson produced, the anomalous magnetic moment of the W boson being arbitrary. It is shown that if √S approximately 100 - 140 GeV, the Z boson yield exceeds that of W bosons even at a small angle between the photon and the produced vector boson momenta. The right-handed polarized photons are found to provide larger cross sections for the above processes as compared with the left-handed ones, but the latter are more suitable for measuring the anomalous magnetic moment of the W boson

Needle-based polarization-sensitive OCT of breast tumor (Conference Presentation)

Science.gov (United States)

Villiger, Martin; Lorenser, Dirk; McLaughlin, Robert A.; Quirk, Bryden C.; Kirk, Rodney W.; Bouma, Brett E.; Sampson, David D.

2016-03-01

OCT imaging through miniature needle probes has extended the range of OCT and enabled structural imaging deep inside breast tissue, with the potential to assist in the intraoperative assessment of tumor margins. However, in many situations, scattering contrast alone is insufficient to clearly identify and delineate malignant areas. Here, we present a portable, depth-encoded polarization-sensitive OCT system, connected to a miniature needle probe. From the measured polarization states we constructed the tissue Mueller matrix at each sample location and improved the accuracy of the measured polarization states through incoherent averaging before retrieving the depth-resolved tissue birefringence. With the Mueller matrix at hand, additional polarization properties such as depolarization are readily available. We then imaged freshly excised breast tissue from a patient undergoing lumpectomy. The reconstructed local retardation highlighted regions of connective tissue, which exhibited birefringence due to the abundance of collagen fibers, and offered excellent contrast to areas of malignant tissue, which exhibited less birefringence due to their different tissue composition. Results were validated against co-located histology sections. The combination of needle-based imaging with the complementary contrast provided by polarization-sensitive analysis offers a powerful instrument for advanced tissue imaging and has potential to aid in the assessment of tumor margins during the resection of breast cancer.

Variational optimization algorithms for uniform matrix product states

Science.gov (United States)

Zauner-Stauber, V.; Vanderstraeten, L.; Fishman, M. T.; Verstraete, F.; Haegeman, J.

2018-01-01

We combine the density matrix renormalization group (DMRG) with matrix product state tangent space concepts to construct a variational algorithm for finding ground states of one-dimensional quantum lattices in the thermodynamic limit. A careful comparison of this variational uniform matrix product state algorithm (VUMPS) with infinite density matrix renormalization group (IDMRG) and with infinite time evolving block decimation (ITEBD) reveals substantial gains in convergence speed and precision. We also demonstrate that VUMPS works very efficiently for Hamiltonians with long-range interactions and also for the simulation of two-dimensional models on infinite cylinders. The new algorithm can be conveniently implemented as an extension of an already existing DMRG implementation.

Polarization-dependent aluminum metasurface operating at 450 nm

DEFF Research Database (Denmark)

Højlund-Nielsen, Emil; Zhu, Xiaolong; Carstensen, Marcus S

2015-01-01

We report on a polarization-dependent plasmonic aluminum-based high-density metasurface operating at blue wavelengths. The fabricated sub-wavelength structures, tailored in size and geometry, possess strong, localized, plasmonic resonances able to control linear polarization. Best performance...

Polarization of positronium in amorphous polar polymers: A case study

Energy Technology Data Exchange (ETDEWEB)

Consolati, G., E-mail: giovanni.consolati@polimi.it; Quasso, F. [Department of Aerospace Science and Technology, Politecnico di Milano, via La Masa, 34, Milano 20156 (Italy)

2013-11-28

The features of positronium in an amorphous copolymer (polyvinyl acetate-crotonic acid) in a range of temperatures including the glass transition were investigated by means of positron annihilation lifetime spectroscopy. In particular, para-positronium lifetime was found to be longer than in a vacuum and to decrease with the temperature. This was attributed to the electron density at the positron (contact density), which is lower than in vacuo due to the presence of polar groups in the copolymer. A three quantum yield experiment confirmed the lifetime results.

RADIATIVE TRANSFER MODELING OF THE ENIGMATIC SCATTERING POLARIZATION IN THE SOLAR Na i D{sub 1} LINE

Energy Technology Data Exchange (ETDEWEB)

Belluzzi, Luca [Istituto Ricerche Solari Locarno, CH-6605 Locarno Monti (Switzerland); Bueno, Javier Trujillo [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain); Degl’Innocenti, Egidio Landi [Dipartimento di Fisica e Astronomia, Università di Firenze, I-50125 Firenze (Italy)

2015-12-01

The modeling of the peculiar scattering polarization signals observed in some diagnostically important solar resonance lines requires the consideration of the detailed spectral structure of the incident radiation field as well as the possibility of ground level polarization, along with the atom's hyperfine structure and quantum interference between hyperfine F-levels pertaining either to the same fine structure J-level, or to different J-levels of the same term. Here we present a theoretical and numerical approach suitable for solving this complex non-LTE radiative transfer problem. This approach is based on the density-matrix metalevel theory (where each level is viewed as a continuous distribution of sublevels) and on accurate formal solvers of the transfer equations and efficient iterative methods. We show an application to the D-lines of Na i, with emphasis on the enigmatic D{sub 1} line, pointing out the observable signatures of the various physical mechanisms considered. We demonstrate that the linear polarization observed in the core of the D{sub 1} line may be explained by the effect that one gets when the detailed spectral structure of the anisotropic radiation responsible for the optical pumping is taken into account. This physical ingredient is capable of introducing significant scattering polarization in the core of the Na i D{sub 1} line without the need for ground-level polarization.

Cortical Matrix Mineral Density Measured Non-invasively in Pre- and Postmenopausal Women and a Woman with Vitamin D Dependent Rickets.

Science.gov (United States)

Chiang, Cherie Y; Zebaze, Roger; Wang, Xiao-Fang; Ghasem-Zadeh, Ali; Zajac, Jeffrey D; Seeman, Ego

2018-02-28

Reduced bone mineral density (BMD) may be due to reduced mineralized bone matrix volume, incomplete secondary mineralization or reduced primary mineralization. As bone biopsy is invasive, we hypothesized that non-invasive image acquisition at high resolution can accurately quantify matrix mineral density (MMD). Quantification of MMD was confined to voxels attenuation photons above 80% of that produced by fully mineralized bone matrix because attenuation at this level is due to variation in mineralization not porosity. To assess accuracy, 9 cadaveric distal radii were imaged at a voxel size of 82 microns using high resolution peripheral quantitative computed tomography (HR-pQCT, XtremeCT, Scanco Medical AG, Switzerland) and compared with VivaCT 40 (µCT) at 19 microns voxel size. Associations between MMD and porosity were studied in 94 heathy vitamin D replete pre-menopausal, 77 post-menopausal women, and in a 27 year-old woman with vitamin-D Dependent Rickets (VDDR). Microstructure and MMD were quantified using StrAx (StraxCorp, Melbourne, Australia). MMD measured by HR-pQCT and µCT correlated (R = 0.87; p woman with VDDR, MMD was 5.6 SD lower, and porosity was 5.6 SD higher, than the respective trait means in premenopausal women. BMD was reduced (Z scores femoral neck - 4.3 SD, lumbar spine - 3.8 SD). Low radiation HR-pQCT may facilitate non-invasive quantification of bone's MMD and microstructure in health, disease and during treatment. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Scattered light evidence for short density scale heights near critical density in laser-irradiated plasmas

International Nuclear Information System (INIS)

Phillion, D.W.; Lerche, R.A.; Rupert, V.C.; Haas, R.A.; Boyle, M.J.

1976-01-01

Experimental evidence is presented of a steepened electron density profile near critical density obtained from studying the time-integrated scattered light from targets illuminated by linearly polarized, 1.06 μ light. Both 10 μ thick disks and DT-filled glass microshells were irradiated by light focused by f/1 or f/2.5 lenses in one and two-beam experiments, respectively. From the dependence of the asymmetry of the scattered light about the beam axis upon the scattering angle, we infer scale lengths on the order of one micron. Scale lengths have also been deduced from measurements on the polarization state of the reflected light. Both analytic and numerical results are presented to show how the polarization state varies with the incidence angle and the scale length

Unraveling multi-spin effects in rotational resonance nuclear magnetic resonance using effective reduced density matrix theory

International Nuclear Information System (INIS)

SivaRanjan, Uppala; Ramachandran, Ramesh

2014-01-01

A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R 2 ) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R 2 experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR

Unraveling multi-spin effects in rotational resonance nuclear magnetic resonance using effective reduced density matrix theory

Energy Technology Data Exchange (ETDEWEB)

SivaRanjan, Uppala; Ramachandran, Ramesh, E-mail: rramesh@iisermohali.ac.in [Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Mohali, Sector 81, Manauli, P.O. Box-140306, Mohali, Punjab (India)

2014-02-07

A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R{sup 2}) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R{sup 2} experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR.

High Performance Polar Decomposition on Distributed Memory Systems

KAUST Repository

Sukkari, Dalal E.; Ltaief, Hatem; Keyes, David E.

2016-01-01

The polar decomposition of a dense matrix is an important operation in linear algebra. It can be directly calculated through the singular value decomposition (SVD) or iteratively using the QR dynamically-weighted Halley algorithm (QDWH). The former

Electron distribution in polar heterojunctions within a realistic model

Energy Technology Data Exchange (ETDEWEB)

Tien, Nguyen Thanh, E-mail: thanhtienctu@gmail.com [College of Natural Science, Can Tho University, 3-2 Road, Can Tho City (Viet Nam); Thao, Dinh Nhu [Center for Theoretical and Computational Physics, College of Education, Hue University, 34 Le Loi Street, Hue City (Viet Nam); Thao, Pham Thi Bich [College of Natural Science, Can Tho University, 3-2 Road, Can Tho City (Viet Nam); Quang, Doan Nhat [Institute of Physics, Vietnamese Academy of Science and Technology, 10 Dao Tan Street, Hanoi (Viet Nam)

2015-12-15

We present a theoretical study of the electron distribution, i.e., two-dimensional electron gas (2DEG) in polar heterojunctions (HJs) within a realistic model. The 2DEG is confined along the growth direction by a triangular quantum well with a finite potential barrier and a bent band figured by all confinement sources. Therein, interface polarization charges take a double role: they induce a confining potential and, furthermore, they can make some change in other confinements, e.g., in the Hartree potential from ionized impurities and 2DEG. Confinement by positive interface polarization charges is necessary for the ground state of 2DEG existing at a high sheet density. The 2DEG bulk density is found to be increased in the barrier, so that the scattering occurring in this layer (from interface polarization charges and alloy disorder) becomes paramount in a polar modulation-doped HJ.

Consistent force field modeling of matrix isolated molecules. V. Minimum energy path potential to the conformer conversion of 1,2-difluoroethane: Ar 364, ab initio calculation of electric multipole moments and electric polarization contribution to the conversion barrier

Science.gov (United States)

Gunde, R.; Ha, T.-K.; Günthard, H. H.

1990-08-01

In this paper results of consistent force field modeling (CFF) of the potential function to conversion of the gauche (g) to the trans (t) conformer of 1,2-difluoroethane (DFE) isolated in an argon matrix will be reported. Starting point are locally stable configurations gDFE:Ar 364 (defect GH1) and tDFE:Ar 364 (TH1) obtained in previous work from CFF modeling of a cube shaped Ar 364 fragment containing one DFE molecule in its center. Using the dihedral angle of DFE as an independent parameter the minimum energy path of the conversion process gDFE:Ar 364→tDFE:Ar 364 will be determined by CFF energy minimization. Determination of the minimum energy path is found to require large numbers of energy minimization steps and to lead to a rather complicated motion of the molecule with respect to the crystal fragment. Surprisingly the molecule-matrix interactions lead to a reduction of the g-t barrier by ≈500 cal/mol and to a stabilization of the trans species by ≈500 cal/mol. This finding is a consequence of a delicate interplay of matrix-molecule and matrix-matrix interactions. Calculation of the electric polarization energy (induced dipole-first-order polarization approximation) is based on extended ab initio calculations of dipole and quadrupole moments and a bond polarizability estimate of the first-order polarizability of DFE as a function of the internal rotation angle, on Fourier expansion of multipole components and use of symmetry for reduction of the order of the linear system defining the (self-consistent) induced dipole moments of all Ar atoms. Electric polarization is found to alter the potential function of the conversion process in a profound way: the g-t barrier and the t-g energy difference are increased to ≈3000 cal/mol and to ≈1500 cal/mol respectively (≈2500 and ≈530 cal/mol respectively for free DFE). Further applications of the technique developed in this work to related problems of matrix isolated molecules, e.g., vibrational matrix

Taming the pion condensation in QCD at finite baryon density: a numerical test in a random matrix model

Energy Technology Data Exchange (ETDEWEB)

Aoki, Sinya [Yukawa Institute for Theoretical Physics, Kyoto University,Kitashirakawa Oiwakecho, Sakyo-ku, Kyoto 606-8502 (Japan); Hanada, Masanori [Stanford Institute for Theoretical Physics, Stanford University,Stanford, CA 94305 (United States); Yukawa Institute for Theoretical Physics, Kyoto University,Kitashirakawa Oiwakecho, Sakyo-ku, Kyoto 606-8502 (Japan); The Hakubi Center for Advanced Research, Kyoto University,Yoshida Ushinomiyacho, Sakyo-ku, Kyoto 606-8501 (Japan); Nakamura, Atsushi [Research Institute for Information Science and Education, Hiroshima University,Higashi-Hiroshima 739-8527 (Japan)

2015-05-14

In the Monte Carlo study of QCD at finite baryon density based upon the phase reweighting method, the pion condensation in the phase-quenched theory and associated zero-mode prevent us from going to the low-temperature high-density region. We propose a method to circumvent them by a simple modification of the density of state method. We first argue that the standard version of the density of state method, which is invented to solve the overlapping problem, is effective only for a certain ‘good’ class of observables. We then modify it so as to solve the overlap problem for ‘bad’ observables as well. While, in the standard version of the density of state method, we usually constrain an observable we are interested in, we fix a different observable in our new method which has a sharp peak at some particular value characterizing the correct vacuum of the target theory. In the finite-density QCD, such an observable is the pion condensate. The average phase becomes vanishingly small as the value of the pion condensate becomes large, hence it is enough to consider configurations with π{sup +}≃0, where the zero mode does not appear. We demonstrate an effectiveness of our method by using a toy model (the chiral random matrix theory) which captures the properties of finite-density QCD qualitatively. We also argue how to apply our method to other theories including finite-density QCD. Although the example we study numerically is based on the phase reweighting method, the same idea can be applied to more general reweighting methods and we show how this idea can be applied to find a possible QCD critical point.

Layered magnets: polarized neutron reflection studies

Energy Technology Data Exchange (ETDEWEB)

Zabel, H; Schreyer, A [Ruhr-Univ. Bochum, Lehrstuhl fuer Experimentalphysik/Festkoerperphysik, Bochum (Germany)

1996-11-01

Neutron reflectivity measurements from extended surfaces, thin films and superlattices provide information on the chemical profile parallel to the film normal, including film thicknesses, average composition and interfacial roughness parameters. Reflectivity measurements with polarized neutrons are particularly powerful for analyzing the magnetic density profiles in thin films and superlattices in addition to chemical profiles. The basic theory of polarized neutron reflectivity is provided, followed by some examples and more recent applications concerning polarized neutron reflectivity studies from exchange coupled Fe/Cr superlattices. (author) 5 figs., 13 refs.

Nuclear reactivity control using laser induced polarization

International Nuclear Information System (INIS)

Bowman, C.D.

1990-01-01

This patent describes a control element for reactivity control of a fission source provides an atomic density of 3 He in a control volume which is effective to control criticality as the 3 He is spin-polarized. Spin-polarization of the 3 He affects the cross section of the control volume for fission neutrons and hence, the reactivity. An irradiation source is directed within the 3 He for spin-polarizing the 3 He. An alkali-metal vapor may be included with the 3 He where a laser spin-polarizes the alkali-metal atoms which in turn, spin-couple with 3 He to spin-polarize the 3 He atoms

Comparison of the surface ion density of silica gel evaluated via spectral induced polarization versus acid-base titration

Science.gov (United States)

Hao, Na; Moysey, Stephen M. J.; Powell, Brian A.; Ntarlagiannis, Dimitrios

2016-12-01

Surface complexation models are widely used with batch adsorption experiments to characterize and predict surface geochemical processes in porous media. In contrast, the spectral induced polarization (SIP) method has recently been used to non-invasively monitor in situ subsurface chemical reactions in porous media, such as ion adsorption processes on mineral surfaces. Here we compare these tools for investigating surface site density changes during pH-dependent sodium adsorption on a silica gel. Continuous SIP measurements were conducted using a lab scale column packed with silica gel. A constant inflow of 0.05 M NaCl solution was introduced to the column while the influent pH was changed from 7.0 to 10.0 over the course of the experiment. The SIP measurements indicate that the pH change caused a 38.49 ± 0.30 μS cm- 1 increase in the imaginary conductivity of the silica gel. This increase is thought to result from deprotonation of silanol groups on the silica gel surface caused by the rise in pH, followed by sorption of Na+ cations. Fitting the SIP data using the mechanistic model of Leroy et al. (Leroyet al., 2008), which is based on the triple layer model of a mineral surface, we estimated an increase in the silica gel surface site density of 26.9 × 1016 sites m- 2. We independently used a potentiometric acid-base titration data for the silica gel to calibrate the triple layer model using the software FITEQL and observed a total increase in the surface site density for sodium sorption of 11.2 × 1016 sites m- 2, which is approximately 2.4 times smaller than the value estimated using the SIP model. By simulating the SIP response based on the calibrated surface complexation model, we found a moderate association between the measured and estimated imaginary conductivity (R2 = 0.65). These results suggest that the surface complexation model used here does not capture all mechanisms contributing to polarization of the silica gel captured by the SIP data.

Probing Quark-Gluon Interactions with Transverse Polarized Scattering

International Nuclear Information System (INIS)

Rondon, Oscar A.

2011-01-01

Transverse polarized inelastic scattering extends the power of the electromagnetic interaction as a probe of nucleon dynamics beyond the leading order regime explored with longitudinally polarized DIS. In transverse polarized scattering, the twist-3 g 2 spin structure function contributes at the same order as the longitudinal, twist-2, g 1 , so interactions between quarks and gluons can be studied, opening a window on the mechanisms of confinement. This talk reports the results of Jefferson Lab's Resonances Spin Structure experiment measurement of g 2 and the d 2 twist-3 quark matrix element at a four-momentum transfer of 1.3 GeV 2 .

External field as the functional of inhomogeneous density and the density matrix functional approach

NARCIS (Netherlands)

Bobrov, V.B.; Trigger, S.A.; Vlasov, Y.P.

2012-01-01

Based on the Hohenberg-Kohn lemma and the hypotheses of the density functional existence for the external-field potential, it is shown that the strict result of the density functional theory is the equation of the external-field potential as the density functional. This result leads to the

Next to Leading Order QCD Corrections to Polarized $\\Lambda$ Production in DIS

CERN Document Server

de Florian, D

1997-01-01

We calculate next to leading order QCD corrections to semi-inclusive polarized deep inelastic scattering and $e^+e^-$ annihilation cross sections for processes where the polarization of the identified final-state hadron can also be determined. Using dimensional regularization and the HVBM prescription for the $\\gamma_5$ matrix, we compute corrections for different spin-dependent observables, both in the $\\overline{MS}$ and $\\overline{MS_p}$ factorization schemes, and analyse their structure. In addition to the well known corrections to polarized parton distributions, we also present those for final-state polarized fracture functions and polarized fragmentation functions, in a consistent factorization scheme.

Density matrix-based time-dependent configuration interaction approach to ultrafast spin-flip dynamics

Science.gov (United States)

Wang, Huihui; Bokarev, Sergey I.; Aziz, Saadullah G.; Kühn, Oliver

2017-08-01

Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic timescales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core-hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter timescale. Using density matrix-based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p→3d) excited states of a prototypical Fe(II) complex. This process occurs on a timescale, which is faster than that of Auger decay (∼4 fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its control by soft X-ray light.

Exact vacuum polarization in 1 + 1 dimensional finite nuclei

International Nuclear Information System (INIS)

Ferree, T.C.

1992-01-01

There is considerable interest in the use of renormalizable quantum field theories to describe nuclear structure. In particular, theories which employ hadronic degrees of freedom are used widely and lead to efficient models which allow self-consistent solutions of the many-body problem. An interesting feature inherent to relativistic field theories (like QHD) is the presence of an infinite sea of negative energy fermion (nucleon) states, which interact dynamically with positive energy fermions via other fields. Such interactions give rise to, for example, vacuum polarization effects, in which virtual particle-antiparticle pairs interact with positive energy valence nucleons as well as with each other, and can significantly influence the ground and excited states of nuclear systems. Several authors have addressed this question in various approximations for finite nuclei, mostly based on extensions of results derived for a uniform system of nucleons. Some attempts have also been made to include vacuum effects in finite systems exactly, but the presence of a vector potential can be problematic when working in a spectral representation. In this paper, the author presents a computational method by which vacuum polarization effects in finite nuclei can be calculated exactly in the RHA by employing matrix diagonalization methods in a discrete Fourier representation of the Dirac equation, and an approximate method for including deep negative energy states based on a derivative expansion of the effective action. This efficient approach is shown to provide well-behaved vacuum polarization densities which remain so even in the presence of strong vector potential

Mueller matrix spectroscopic ellipsometry study of chiral nanocrystalline cellulose films

Science.gov (United States)

Mendoza-Galván, Arturo; Muñoz-Pineda, Eloy; Ribeiro, Sidney J. L.; Santos, Moliria V.; Järrendahl, Kenneth; Arwin, Hans

2018-02-01

Chiral nanocrystalline cellulose (NCC) free-standing films were prepared through slow evaporation of aqueous suspensions of cellulose nanocrystals in a nematic chiral liquid crystal phase. Mueller matrix (MM) spectroscopic ellipsometry is used to study the polarization and depolarization properties of the chiral films. In the reflection mode, the MM is similar to the matrices reported for the cuticle of some beetles reflecting near circular left-handed polarized light in the visible range. The polarization properties of light transmitted at normal incidence for different polarization states of incident light are discussed. By using a differential decomposition of the MM, the structural circular birefringence and dichroism of a NCC chiral film are evaluated.

Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems

International Nuclear Information System (INIS)

Meer, R. van; Gritsenko, O. V.; Baerends, E. J.

2014-01-01

Time dependent density matrix functional theory in its adiabatic linear response formulation delivers exact excitation energies ω α and oscillator strengths f α for two-electron systems if extended to the so-called phase including natural orbital (PINO) theory. The Löwdin-Shull expression for the energy of two-electron systems in terms of the natural orbitals and their phases affords in this case an exact phase-including natural orbital functional (PILS), which is non-primitive (contains other than just J and K integrals). In this paper, the extension of the PILS functional to N-electron systems is investigated. With the example of an elementary primitive NO functional (BBC1) it is shown that current density matrix functional theory ground state functionals, which were designed to produce decent approximations to the total energy, fail to deliver a qualitatively correct structure of the (inverse) response function, due to essential deficiencies in the reconstruction of the two-body reduced density matrix (2RDM). We now deduce essential features of an N-electron functional from a wavefunction Ansatz: The extension of the two-electron Löwdin-Shull wavefunction to the N-electron case informs about the phase information. In this paper, applications of this extended Löwdin-Shull (ELS) functional are considered for the simplest case, ELS(1): one (dissociating) two-electron bond in the field of occupied (including core) orbitals. ELS(1) produces high quality ω α (R) curves along the bond dissociation coordinate R for the molecules LiH, Li 2 , and BH with the two outer valence electrons correlated. All of these results indicate that response properties are much more sensitive to deficiencies in the reconstruction of the 2RDM than the ground state energy, since derivatives of the functional with respect to both the NOs and the occupation numbers need to be accurate

Canine distemper virus matrix protein influences particle infectivity, particle composition, and envelope distribution in polarized epithelial cells and modulates virulence.

Science.gov (United States)

Dietzel, Erik; Anderson, Danielle E; Castan, Alexandre; von Messling, Veronika; Maisner, Andrea

2011-07-01

In paramyxoviruses, the matrix (M) protein mediates the interaction between the envelope and internal proteins during particle assembly and egress. In measles virus (MeV), M mutations, such as those found in subacute sclerosing panencephalitis (SSPE) strains, and differences in vaccine and wild-type M proteins can affect the strength of interaction with the envelope glycoproteins, assembly efficiency, and spread. However, the contribution of the M protein to the replication and pathogenesis of the closely related canine distemper virus (CDV) has not been characterized. To this end this, we generated a recombinant wild-type CDV carrying a vaccine strain M protein. The recombinant virus retained the parental growth phenotype in VerodogSLAMtag cells, but displayed an increased particle-to-infectivity ratio very similar to that of the vaccine strain, likely due to inefficient H protein incorporation. Even though infectious virus was released only from the apical surface, consistent with the release polarity of the wild-type CDV strain, envelope protein distribution in polarized epithelial cells reproduced the bipolar pattern seen in vaccine strain-infected cells. Most notably, the chimeric virus was completely attenuated in ferrets and caused only a mild and transient leukopenia, indicating that the differences in particle infectivity and envelope protein sorting mediated by the vaccine M protein contribute importantly to vaccine strain attenuation.

Estimating Depolarization with the Jones Matrix Quality Factor

Science.gov (United States)

Hilfiker, James N.; Hale, Jeffrey S.; Herzinger, Craig M.; Tiwald, Tom; Hong, Nina; Schöche, Stefan; Arwin, Hans

2017-11-01

Mueller matrix (MM) measurements offer the ability to quantify the depolarization capability of a sample. Depolarization can be estimated using terms such as the depolarization index or the average degree of polarization. However, these calculations require measurement of the complete MM. We propose an alternate depolarization metric, termed the Jones matrix quality factor, QJM, which does not require the complete MM. This metric provides a measure of how close, in a least-squares sense, a Jones matrix can be found to the measured Mueller matrix. We demonstrate and compare the use of QJM to other traditional calculations of depolarization for both isotropic and anisotropic depolarizing samples; including non-uniform coatings, anisotropic crystal substrates, and beetle cuticles that exhibit both depolarization and circular diattenuation.

The rigorous stochastic matrix multiplication scheme for the calculations of reduced equilibrium density matrices of open multilevel quantum systems

International Nuclear Information System (INIS)

Chen, Xin

2014-01-01

Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems

Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach.

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Prucker, V; Bockstedte, M; Thoss, M; Coto, P B

2018-03-28

A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach

Science.gov (United States)

Prucker, V.; Bockstedte, M.; Thoss, M.; Coto, P. B.

2018-03-01

A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

The Bochum Polarized Target

International Nuclear Information System (INIS)

Reicherz, G.; Goertz, S.; Harmsen, J.; Heckmann, J.; Meier, A.; Meyer, W.; Radtke, E.

2001-01-01

The Bochum 'Polarized Target' group develops the target material 6 LiD for the COMPASS experiment at CERN. Several different materials like alcohols, alcanes and ammonia are under investigation. Solid State Targets are polarized in magnetic fields higher than B=2.5T and at temperatures below T=1K. For the Dynamic Nuclear Polarization process, paramagnetic centers are induced chemically or by irradiation with ionizing beams. The radical density is a critical factor for optimization of polarization and relaxation times at adequate magnetic fields and temperatures. In a high sensitive EPR--apparatus, an evaporator and a dilution cryostat with a continuous wave NMR--system, the materials are investigated and optimized. To improve the polarization measurement, the Liverpool NMR-box is modified by exchanging the fixed capacitor for a varicap diode which not only makes the tuning very easy but also provides a continuously tuned circuit. The dependence of the signal area upon the circuit current is measured and it is shown that it follows a linear function

Spin polarized 3He: a ''new'' quantum fluid

International Nuclear Information System (INIS)

Lhuillier, C.; Laloe, F.

1979-01-01

The physical properties of a 3 He fluid are studied, in which all nuclear spins are parallel to each other (fully polarized 3 He). At low temperatures, significant differences can exist between this polarized fluid and normal 3 He. The origin of these differences is purely quantum mechanical and arises from the Pauli exclusion principle. At low densities, only the transport properties of the gas are modified. At higher densities. The equilibrium properties (virial coefficients) are also changed by the nuclear polarization. Changes of the liquid-vapour or liquid-solid equilibrium pressures, as well as modifications of the 3 He- 4 He mixture phase diagram are predicted. This article gives a preliminary theoretical study of these new effects. Experimental prospects are briefly discussed [fr

A density functional approach to ferrogels

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Cremer, P.; Heinen, M.; Menzel, A. M.; Löwen, H.

2017-07-01

Ferrogels consist of magnetic colloidal particles embedded in an elastic polymer matrix. As a consequence, their structural and rheological properties are governed by a competition between magnetic particle-particle interactions and mechanical matrix elasticity. Typically, the particles are permanently fixed within the matrix, which makes them distinguishable by their positions. Over time, particle neighbors do not change due to the fixation by the matrix. Here we present a classical density functional approach for such ferrogels. We map the elastic matrix-induced interactions between neighboring colloidal particles distinguishable by their positions onto effective pairwise interactions between indistinguishable particles similar to a ‘pairwise pseudopotential’. Using Monte-Carlo computer simulations, we demonstrate for one-dimensional dipole-spring models of ferrogels that this mapping is justified. We then use the pseudopotential as an input into classical density functional theory of inhomogeneous fluids and predict the bulk elastic modulus of the ferrogel under various conditions. In addition, we propose the use of an ‘external pseudopotential’ when one switches from the viewpoint of a one-dimensional dipole-spring object to a one-dimensional chain embedded in an infinitely extended bulk matrix. Our mapping approach paves the way to describe various inhomogeneous situations of ferrogels using classical density functional concepts of inhomogeneous fluids.

Analysis of the half-projected Hartree--Fock function: density matrix, natural orbitals, and configuration interaction equivalence

International Nuclear Information System (INIS)

Smeyers, Y.G.; Delgado-Barrio, G.

1976-01-01

The half-projected Hartree--Fock function for singlet states (HPHF) is analyzed in terms of natural electronic configurations. For this purpose the HPHF spinless density matrix and its natural orbitals are first deduced. It is found that the HPHF function does not contain any contribution from odd-times excited configurations. It is seen in addition, in the case of the singlet ground states, this function is approximately equivalent to two closed-shell configurations, although the nature of the excited one depends on the nuclear geometry. An example is given in the case of the LiH ground state. Finally, the application of this model for studying systems of more than two atoms is criticized

Estimating Allee dynamics before they can be observed: polar bears as a case study.

Directory of Open Access Journals (Sweden)

Péter K Molnár

Full Text Available Allee effects are an important component in the population dynamics of numerous species. Accounting for these Allee effects in population viability analyses generally requires estimates of low-density population growth rates, but such data are unavailable for most species and particularly difficult to obtain for large mammals. Here, we present a mechanistic modeling framework that allows estimating the expected low-density growth rates under a mate-finding Allee effect before the Allee effect occurs or can be observed. The approach relies on representing the mechanisms causing the Allee effect in a process-based model, which can be parameterized and validated from data on the mechanisms rather than data on population growth. We illustrate the approach using polar bears (Ursus maritimus, and estimate their expected low-density growth by linking a mating dynamics model to a matrix projection model. The Allee threshold, defined as the population density below which growth becomes negative, is shown to depend on age-structure, sex ratio, and the life history parameters determining reproduction and survival. The Allee threshold is thus both density- and frequency-dependent. Sensitivity analyses of the Allee threshold show that different combinations of the parameters determining reproduction and survival can lead to differing Allee thresholds, even if these differing combinations imply the same stable-stage population growth rate. The approach further shows how mate-limitation can induce long transient dynamics, even in populations that eventually grow to carrying capacity. Applying the models to the overharvested low-density polar bear population of Viscount Melville Sound, Canada, shows that a mate-finding Allee effect is a plausible mechanism for slow recovery of this population. Our approach is generalizable to any mating system and life cycle, and could aid proactive management and conservation strategies, for example, by providing a priori

Knot Undulator to Generate Linearly Polarized Photons with Low on-Axis Power Density

International Nuclear Information System (INIS)

Qiao, S.

2009-01-01

Heat load on beamline optics is a serious problem to generate pure linearly polarized photons in the third generation synchrotron radiation facilities. For permanent magnet undulators, this problem can be overcome by a figure-8 operating mode. But there is still no good method to tackle this problem for electromagnetic elliptical undulators. Here, a novel operating mode is suggested, which can generate pure linearly polarized photons with very low on-axis heat load. Also the available minimum photon energy of linearly polarized photons can be extended much by this method.

Simple expression for the quantum Fisher information matrix

Science.gov (United States)

Šafránek, Dominik

2018-04-01

Quantum Fisher information matrix (QFIM) is a cornerstone of modern quantum metrology and quantum information geometry. Apart from optimal estimation, it finds applications in description of quantum speed limits, quantum criticality, quantum phase transitions, coherence, entanglement, and irreversibility. We derive a surprisingly simple formula for this quantity, which, unlike previously known general expression, does not require diagonalization of the density matrix, and is provably at least as efficient. With a minor modification, this formula can be used to compute QFIM for any finite-dimensional density matrix. Because of its simplicity, it could also shed more light on the quantum information geometry in general.

Long-term culture of rat hippocampal neurons at low density in serum-free medium: combination of the sandwich culture technique with the three-dimensional nanofibrous hydrogel PuraMatrix.

Science.gov (United States)

Kaneko, Ai; Sankai, Yoshiyuki

2014-01-01

The primary culture of neuronal cells plays an important role in neuroscience. There has long been a need for methods enabling the long-term culture of primary neurons at low density, in defined serum-free medium. However, the lower the cell density, the more difficult it is to maintain the cells in culture. Therefore, we aimed to develop a method for long-term culture of neurons at low density, in serum-free medium, without the need for a glial feeder layer. Here, we describe the work leading to our determination of a protocol for long-term (>2 months) primary culture of rat hippocampal neurons in serum-free medium at the low density of 3×10(4) cells/mL (8.9×10(3) cells/cm2) without a glial feeder layer. Neurons were cultured on a three-dimensional nanofibrous hydrogel, PuraMatrix, and sandwiched under a coverslip to reproduce the in vivo environment, including the three-dimensional extracellular matrix, low-oxygen conditions, and exposure to concentrated paracrine factors. We examined the effects of varying PuraMatrix concentrations, the timing and presence or absence of a coverslip, the timing of neuronal isolation from embryos, cell density at plating, medium components, and changing the medium or not on parameters such as developmental pattern, cell viability, neuronal ratio, and neurite length. Using our method of combining the sandwich culture technique with PuraMatrix in Neurobasal medium/B27/L-glutamine for primary neuron culture, we achieved longer neurites (≥3,000 µm), greater cell viability (≥30%) for 2 months, and uniform culture across the wells. We also achieved an average neuronal ratio of 97%, showing a nearly pure culture of neurons without astrocytes. Our method is considerably better than techniques for the primary culture of neurons, and eliminates the need for a glial feeder layer. It also exhibits continued support for axonal elongation and synaptic activity for long periods (>6 weeks).

Long-term culture of rat hippocampal neurons at low density in serum-free medium: combination of the sandwich culture technique with the three-dimensional nanofibrous hydrogel PuraMatrix.

Directory of Open Access Journals (Sweden)

Ai Kaneko

Full Text Available The primary culture of neuronal cells plays an important role in neuroscience. There has long been a need for methods enabling the long-term culture of primary neurons at low density, in defined serum-free medium. However, the lower the cell density, the more difficult it is to maintain the cells in culture. Therefore, we aimed to develop a method for long-term culture of neurons at low density, in serum-free medium, without the need for a glial feeder layer. Here, we describe the work leading to our determination of a protocol for long-term (>2 months primary culture of rat hippocampal neurons in serum-free medium at the low density of 3×10(4 cells/mL (8.9×10(3 cells/cm2 without a glial feeder layer. Neurons were cultured on a three-dimensional nanofibrous hydrogel, PuraMatrix, and sandwiched under a coverslip to reproduce the in vivo environment, including the three-dimensional extracellular matrix, low-oxygen conditions, and exposure to concentrated paracrine factors. We examined the effects of varying PuraMatrix concentrations, the timing and presence or absence of a coverslip, the timing of neuronal isolation from embryos, cell density at plating, medium components, and changing the medium or not on parameters such as developmental pattern, cell viability, neuronal ratio, and neurite length. Using our method of combining the sandwich culture technique with PuraMatrix in Neurobasal medium/B27/L-glutamine for primary neuron culture, we achieved longer neurites (≥3,000 µm, greater cell viability (≥30% for 2 months, and uniform culture across the wells. We also achieved an average neuronal ratio of 97%, showing a nearly pure culture of neurons without astrocytes. Our method is considerably better than techniques for the primary culture of neurons, and eliminates the need for a glial feeder layer. It also exhibits continued support for axonal elongation and synaptic activity for long periods (>6 weeks.

Population ecology of polar bears in Davis Strait, Canada and Greenland

Science.gov (United States)

Peacock, Elizabeth; Taylor, Mitchell K.; Laake, Jeffrey L.; Stirling, Ian

2013-01-01

Until recently, the sea ice habitat of polar bears was understood to be variable, but environmental variability was considered to be cyclic or random, rather than progressive. Harvested populations were believed to be at levels where density effects were considered not significant. However, because we now understand that polar bear demography can also be influenced by progressive change in the environment, and some populations have increased to greater densities than historically lower numbers, a broader suite of factors should be considered in demographic studies and management. We analyzed 35 years of capture and harvest data from the polar bear (Ursus maritimus) subpopulation in Davis Strait, including data from a new study (2005–2007), to quantify its current demography. We estimated the population size in 2007 to be 2,158 ± 180 (SE), a likely increase from the 1970s. We detected variation in survival, reproductive rates, and age-structure of polar bears from geographic sub-regions. Survival and reproduction of bears in southern Davis Strait was greater than in the north and tied to a concurrent dramatic increase in breeding harp seals (Pagophilus groenlandicus) in Labrador. The most supported survival models contained geographic and temporal variables. Harp seal abundance was significantly related to polar bear survival. Our estimates of declining harvest recovery rate, and increasing total survival, suggest that the rate of harvest declined over time. Low recruitment rates, average adult survival rates, and high population density, in an environment of high prey density, but deteriorating and variable ice conditions, currently characterize the Davis Strait polar bears. Low reproductive rates may reflect negative effects of greater densities or worsening ice conditions.

APC: A new code for Atmospheric Polarization Computations

International Nuclear Information System (INIS)

Korkin, Sergey V.; Lyapustin, Alexei I.; Rozanov, Vladimir V.

2013-01-01

A new polarized radiative transfer code Atmospheric Polarization Computations (APC) is described. The code is based on separation of the diffuse light field into anisotropic and smooth (regular) parts. The anisotropic part is computed analytically. The smooth regular part is computed numerically using the discrete ordinates method. Vertical stratification of the atmosphere, common types of bidirectional surface reflection and scattering by spherical particles or spheroids are included. A particular consideration is given to computation of the bidirectional polarization distribution function (BPDF) of the waved ocean surface. -- Highlights: •A new code, APC, has been developed. •The code was validated against well-known codes. •The BPDF for an arbitrary Mueller matrix is computed

Potential Sources of Polarized Light from a Plant Canopy

Science.gov (United States)

Vanderbilt, Vern; Daughtry, Craig; Dahlgren, Robert

2016-01-01

Field measurements have demonstrated that sunlight polarized during a first surface reflection by shiny leaves dominates the optical polarization of the light reflected by shiny-leafed plant canopies having approximately spherical leaf angle probability density functions ("Leaf Angle Distributions" - LAD). Yet for other canopies - specifically those without shiny leaves and/or spherical LADs - potential sources of optically polarized light may not always be obvious. Here we identify possible sources of polarized light within those other canopies and speculate on the ecologically important information polarization measurements of those sources might contain.

Evaluation of the thermodynamics of a four level system using canonical density matrix method

Directory of Open Access Journals (Sweden)

Awoga Oladunjoye A.

2013-02-01

Full Text Available We consider a four-level system with two subsystems coupled by weak interaction. The system is in thermal equilibrium. The thermodynamics of the system, namely internal energy, free energy, entropy and heat capacity, are evaluated using the canonical density matrix by two methods. First by Kronecker product method and later by treating the subsystems separately and then adding the evaluated thermodynamic properties of each subsystem. It is discovered that both methods yield the same result, the results obey the laws of thermodynamics and are the same as earlier obtained results. The results also show that each level of the subsystems introduces a new degree of freedom and increases the entropy of the entire system. We also found that the four-level system predicts a linear relationship between heat capacity and temperature at very low temperatures just as in metals. Our numerical results show the same trend.

Polarized Raman spectroscopic study of relaxed high density amorphous ices under pressure.

Science.gov (United States)

Suzuki, Yoshiharu; Tominaga, Yasunori

2010-10-28

We have made high density amorphous ice (HDA) by the pressure-induced amorphization of hexagonal ice at 77 K and measured the volume change on isobaric heating in a pressure range between 0.1 and 1.5 GPa. The volume of HDA on heating below ∼0.35 GPa increases, while the volume of HDA on heating above ∼0.35 GPa decreases. The polarized OH-stretching Raman spectra of the relaxed HDAs are compared with that of the unannealed HDA. The relaxed HDAs are prepared at 0.2 GPa at 130 K and 1.5 GPa at 160 K. It is found that the relatively strong totally symmetric OH-stretching vibration mode around 3100 cm(-1) exists in the depolarized reduced Raman spectrum χ(VH)(") of the unannealed HDA and that its intensity rapidly decreases by relaxation. The χ(VH)(") profiles of the relaxed HDA are similar to those of liquid water. These results indicate that the HDA reaches a nearly equilibrium state by annealing and the intrinsic state of HDA relates to a liquid state. The pressure-volume curve of the relaxed HDA at 140 K seems to be smooth in the pressure range below 1.5 GPa.

One-nucleon removal reactions as a test of overlap functions from the one-body density matrix calculations

International Nuclear Information System (INIS)

Dimitrova, S.S.; Gaidarov, M.K.; Antonov, A.N.; Stoitsov, M.V.; Hodgson, P.E; Lukyanov, V.K.; Zemlyanaya, E.V.; Krumova, G.Z.

1997-01-01

Overlap functions and spectroscopic factors extracted from a model one-body density matrix (OBDM) accounting for short-range nucleon-nucleon correlations are used to calculate differential cross sections of (p, d) reactions and the momentum distributions of transitions to single-particle states in 16 O and 40 Ca. A comparison between the experimental (p, d) and (e, e'p) data, their DWBA and CDWIA analyses and the OBDM calculations is made. Our theoretical predictions for the spectroscopic factors are compared with the empirically extracted ones. It is shown that the overlap functions obtained within the Jastrow correlation method are applicable to the description of the quantities considered. (author)

Weak production of strangeness at threshold with polarization observables

International Nuclear Information System (INIS)

Baker, O.K.

2002-01-01

The differential cross section for the charged current electroweak reaction e → +p → ν → e +Λ → at threshold with polarization observables is presented. The form of the cross section at threshold for the reaction is simplified compared to higher energy. An expression is given for the invariant matrix element appropriate for the reaction when the incident electron is polarized, and the final state hyperon polarization is determined. The energy dependence of the resulting cross section is shown near threshold. Under the right kinematic conditions, there can be a sizeable enhancement in the cross section, making an experimental measurement of the weak axial-vector form factor feasible

The localization-delocalization matrix and the electron-density-weighted connectivity matrix of a finite graphene nanoribbon reconstructed from kernel fragments.

Science.gov (United States)

Timm, Matthew J; Matta, Chérif F; Massa, Lou; Huang, Lulu

2014-11-26

Bader's quantum theory of atoms in molecules (QTAIM) and chemical graph theory, merged in the localization-delocalization matrices (LDMs) and the electron-density-weighted connectivity matrices (EDWCM), are shown to benefit in computational speed from the kernel energy method (KEM). The LDM and EDWCM quantum chemical graph matrices of a 66-atom C46H20 hydrogen-terminated armchair graphene nanoribbon, in 14 (2×7) rings of C2v symmetry, are accurately reconstructed from kernel fragments. (This includes the full sets of electron densities at 84 bond critical points and 19 ring critical points, and the full sets of 66 localization and 4290 delocalization indices (LIs and DIs).) The average absolute deviations between KEM and directly calculated atomic electron populations, obtained from the sum of the LIs and half of the DIs of an atom, are 0.0012 ± 0.0018 e(-) (∼0.02 ± 0.03%) for carbon atoms and 0.0007 ± 0.0003 e(-) (∼0.01 ± 0.01%) for hydrogen atoms. The integration errors in the total electron population (296 electrons) are +0.0003 e(-) for the direct calculation (+0.0001%) and +0.0022 e(-) for KEM (+0.0007%). The accuracy of the KEM matrix elements is, thus, probably of the order of magnitude of the combined precision of the electronic structure calculation and the atomic integrations. KEM appears capable of delivering not only the total energies with chemical accuracy (which is well documented) but also local and nonlocal properties accurately, including the DIs between the fragments (crossing fragmentation lines). Matrices of the intact ribbon, the kernels, the KEM-reconstructed ribbon, and errors are available as Supporting Information .

Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals

Science.gov (United States)

Ueda, Shigenori; Hamada, Ikutaro

2017-12-01

The X-ray polarization dependent valence band HAXPES spectra of 3d transition metals (TMs) of Ti-Zn were measured to investigate the orbital resolved electronic structures by utilizing that the fact the photoionization cross-section of the atomic orbitals strongly depends on the experimental geometry. We have calculated the HAXPES spectra, which correspond to the cross-section weighted densities of states (CSW-DOSs), where the DOSs were obtained by the density functional theory calculations, and we have determined the relative photoionization cross-sections of the 4s and 4p orbitals to the 3d orbital in the 3d TMs. The experimentally obtained bulk-sensitive 3d and 4s DOSs were good agreement with the calculated DOSs in Ti, V, Cr, and Cu. In contrast, the deviations between the experimental and calculated 3d DOSs for Mn, Fe, Co, Ni were found, suggesting that the electron correlation plays an important role in the electronic structures for these materials.

The Density Matrix for Single-mode Light after k-Photon Absorption

Science.gov (United States)

Voigt, H.; Bandilla, A.

In order to continue and generalize the studies of the density matrix of a light field undergoing k-photon absorption, in this paper we put the emphasis on the off-diagonal elements. The solution obtained earlier for the diagonal elements describing the photon statistics can be found as a special case but will not be discussed again. The general solution calculated by recursion shows an asymptotic behaviour if the initial photon number is sufficiently high. Only the initial phase information survives. Illustrating the solution we start with coherent light and a generalized coherent state.Translated AbstractDie Dichtematrix eines Lichtstrahls nach k-Photonen-Absorption aus einer ModeWir führen die Betrachtungen über das Verhalten der Dichtematrix eines Lichtfeldes nach k-Photonen-Absorption aus einer Mode verallgemeinernd weiter und konzentrieren uns auf die Nichtdiagonalelemente. Die im folgenden angegebene allgemeine Lösung, die durch Rekursion gefunden wurde, enthält die schon früher erhaltene, jedoch hier nicht weiter diskutierte Lösung für die Diagonalelemente als Spezialfall. Sie zeigt ferner, daß es einen asymptotischen Zustand gibt, der eine von der Ausgangsintensität unabhängige Information über die Ausgangsphase enthält. Zur Diskussion der Lösung werden verschiedene Anfangsbedingungen betrachtet, so z. B. kohärentes Licht und kohärentes Licht, das ein Medium mit nichtlinearem Brechungsindex durchlaufen hat (Kerr-Effekt).

Orbit Classification of Qutrit via the Gram Matrix

International Nuclear Information System (INIS)

Tay, B. A.; Zainuddin, Hishamuddin

2008-01-01

We classify the orbits generated by unitary transformation on the density matrices of the three-state quantum systems (qutrits) via the Gram matrix. The Gram matrix is a real symmetric matrix formed from the Hilbert–Schmidt scalar products of the vectors lying in the tangent space to the orbits. The rank of the Gram matrix determines the dimensions of the orbits, which fall into three classes for qutrits. (general)

Mueller Matrix: the Consummate approach to imaging in torbid media

Science.gov (United States)

Zhai, Peng-Wang; Kattawar, George W.

2004-10-01

The use of polarized light has important applications in astronomy, atmospheric science, chemistry, biology, interferometry, medical science, quantum theory, and the commercial sector. The four component Stokes vector is one of the most popular ways to describe polarized states of light and the 4×4 Mueller matrix is used to express the relations between the Stokes vectors of the incident light and the scattered light. Of the many methods to calculate the single scattering Mueller matrix, we will emphasize the Mie theory; the T-matrix method; the finite-element method (FEM); the finite-difference time-domain method (FDTD); the discrete dipole approximation (DDA). The single scattering Mueller matrices for particles can be used to solve the radiative transfer equations for multiple scattering systems, which is the sine que non for the remote sensing applications. Of the many ways to solve the radiative transfer equations we will discuss the discrete-ordinate method, the adding and doubling method, and the Monte-Carlo method, which is by far the most versatile.

Theory of open quantum systems with bath of electrons and phonons and spins: many-dissipaton density matrixes approach.

Science.gov (United States)

Yan, YiJing

2014-02-07

This work establishes a strongly correlated system-and-bath dynamics theory, the many-dissipaton density operators formalism. It puts forward a quasi-particle picture for environmental influences. This picture unifies the physical descriptions and algebraic treatments on three distinct classes of quantum environments, electron bath, phonon bath, and two-level spin or exciton bath, as their participating in quantum dissipation processes. Dynamical variables for theoretical description are no longer just the reduced density matrix for system, but remarkably also those for quasi-particles of bath. The present theoretical formalism offers efficient and accurate means for the study of steady-state (nonequilibrium and equilibrium) and real-time dynamical properties of both systems and hybridizing environments. It further provides universal evaluations, exact in principle, on various correlation functions, including even those of environmental degrees of freedom in coupling with systems. Induced environmental dynamics could be reflected directly in experimentally measurable quantities, such as Fano resonances and quantum transport current shot noise statistics.

Evaluation of radiative spin polarization in an electron storage ring

Energy Technology Data Exchange (ETDEWEB)

Chao, A W [Stanford Linear Accelerator Center, CA (USA)

1981-02-15

We have developed a matrix formalism that provides an accurate way of evaluating the degree of spin polarization built up through the process of synchrotron radiation under a wide variety of storage ring operation conditions.

Modifications to 8x8 dynamical theory: Polarizations redefined according to x-ray diffraction convention

International Nuclear Information System (INIS)

Macrander, A.T.; Blasdell, R.C.

1993-09-01

Dynamical x-ray diffraction theory can be cast in matrix form. In recent years, an 8x8 matrix theory was developed that treated asymmetric reflections from strained crystals. The polarization of the incident, specularly reflected, reflected diffracted, transmitted diffracted, and transmitted electromagnetic wave fields were all defined as s or p. That is, polarizations were defined with respect to the plane containing the incident beam direction and the surface normal. The authors present modifications of the theory to treat σ and π polarizations for Bragg diffraction from asymmetric planes, that is, for polarizations defined with respect to the plane containing the incident beam direction and the reciprocal lattice vector for Bragg diffraction. They present results of this theory for unstrained crystals in the inclined geometry. In this geometry the incident beam wavevector, the reciprocal lattice vector, and the surface normal are not coplanar. The inclined crystal geometry appears promising for use in a high-heat-load monochromator for undulator radiation at the Advanced Photon Source. As expected, they find a weak π-polarization component in the diffracted beam when the polarization of the incident beam is pure σ

A non-local-thermodynamic equilibrium formulation of the transport equation for polarized light in the presence of weak magnetic fields. Doctoral thesis

International Nuclear Information System (INIS)

McNamara, D.J.

1977-01-01

The present work is motivated by the desire to better understand solar magnetism. Just as stellar astrophysics and radiative transfer have been coupled in the history of research in physics, so too has the study of radiative transfer of polarized light in magnetic fields and solar magnetism been a history of mutual growth. The Stokes parameters characterize the state of polarization of a beam of radiation. The author considers the changes in polarization, and therefore in the Stokes parameters, due to the transport of a beam through an optically thick medium in a weak magnetic field. The transport equation is derived from a general density matrix equation of motion. This allows the possibility of interference effects arising from the mixing of atomic sublevels in a weak magnetic field to be taken into account. The statistical equilibrium equations are similarly derived. Finally, the coupled system of equations is presented, and the order of magnitude of the interference effects, shown. Collisional effects are not considered. The magnitude of the interference effects in magnetic field measurements of the sun may be evaluated

Polarization of the microwave background in open universes

International Nuclear Information System (INIS)

Tolman, B.W.

1985-01-01

The polarization and anisotropy of the microwave background radiation in open universes with an expansion anisotropy, arising from either cosmological anisotropy or density inhomogeneities on large scales, are computed by a direct, or Monte Carlo, simulation of the problem. The simulation includes accurate numerical data for the ionization of matter during both the decoupling and the reheated eras. Besides the well-known result that the radiation anisotropy is distorted and focused by the spatial curvature into a single very small, intense spot, it is found that the scattering of this spot during the reheated epoch generates features in the polarization of the radiation which cover fully one-half of the sky. The radiation is polarized in a wide band encircling the spot, with the direction of polarization opposite that of the rest of the sky and at a level only slightly below present observed upper limits, given an expansion anisotropy also near its upper limit. This region of strong polarization is surrounded by an unpolarized band near the equator (where the spot is at a pole), while the rest of the sky is also polarized at a level near the upper limits. The amount of polarization is very sensitive to the amount of scattering, and thus to the reheating epoch; further, features in the polarization remain visible even for very long reheated epochs, whereas the intensity anisotropy is quickly damped out. The widths of the unusually polarized region and the spot are sensitive to the cosmological matter density. The extension of these results to the case of a spectrum of large-scale inhomogeneities is briefly discussed. The polarization of the microwaves thus provides an important and observationally accessible test of these cosmological models

Solar polar rotation and its effect on heliospheric neutral fluxes

Science.gov (United States)

Sokol, J. M.; Grzedzielski, S.; Bzowski, M.

2016-12-01

The magnetic field in the solar polar corona exhibit a regular "ray-like" structure associated with large polar coronal holes during solar minimum. The solar rotation twists the magnetic field lines of the expanding fast solar wind over the poles. The twist induces a toroidal component of the polar magnetic field which results in magnetic forces directed towards the rotation axis. That is tantamount to a (weak) zeta pinch, known also in other astrophysical contexts (e.g. AGN plasmas). The pinch compresses the polar solar corona plasma and a cone-like enhancement in the solar wind density forms along the rotation axis. Though the effect is likely very dynamic, a time independent description is used here to get an order-of-magnitude estimate. The weak pinch is treated as a 1st order perturbation to the zero-order radial flow. The obtained density enhancement may affect the near and far heliosphere, modifying the charge-exchange and electron impact ionization rates of neutral atoms in interplanetary space. The charge exchange is the most effective ionization process for hydrogen and oxygen atoms, and electron impact ionization is a significant loss reaction for the helium atoms at close distances to the Sun. The change in the polar density due to the solar polar corona rotation could be of importance in the inner heliosphere for low energy atoms. We will present the influence of this effect on interstellar neutral gas distribution and H ENA fluxes observed by IBEX.

Surface Snow Density of East Antarctica Derived from In-Situ Observations

Science.gov (United States)

Tian, Y.; Zhang, S.; Du, W.; Chen, J.; Xie, H.; Tong, X.; Li, R.

2018-04-01

Models based on physical principles or semi-empirical parameterizations have used to compute the firn density, which is essential for the study of surface processes in the Antarctic ice sheet. However, parameterization of surface snow density is often challenged by the description of detailed local characterization. In this study we propose to generate a surface density map for East Antarctica from all the filed observations that are available. Considering that the observations are non-uniformly distributed around East Antarctica, obtained by different methods, and temporally inhomogeneous, the field observations are used to establish an initial density map with a grid size of 30 × 30 km2 in which the observations are averaged at a temporal scale of five years. We then construct an observation matrix with its columns as the map grids and rows as the temporal scale. If a site has an unknown density value for a period, we will set it to 0 in the matrix. In order to construct the main spatial and temple information of surface snow density matrix we adopt Empirical Orthogonal Function (EOF) method to decompose the observation matrix and only take first several lower-order modes, because these modes already contain most information of the observation matrix. However, there are a lot of zeros in the matrix and we solve it by using matrix completion algorithm, and then we derive the time series of surface snow density at each observation site. Finally, we can obtain the surface snow density by multiplying the modes interpolated by kriging with the corresponding amplitude of the modes. Comparative analysis have done between our surface snow density map and model results. The above details will be introduced in the paper.

Mueller matrix polarimetry for characterizing microstructural variation of nude mouse skin during tissue optical clearing.

Science.gov (United States)

Chen, Dongsheng; Zeng, Nan; Xie, Qiaolin; He, Honghui; Tuchin, Valery V; Ma, Hui

2017-08-01

We investigate the polarization features corresponding to changes in the microstructure of nude mouse skin during immersion in a glycerol solution. By comparing the Mueller matrix imaging experiments and Monte Carlo simulations, we examine in detail how the Mueller matrix elements vary with the immersion time. The results indicate that the polarization features represented by Mueller matrix elements m22&m33&m44 and the absolute values of m34&m43 are sensitive to the immersion time. To gain a deeper insight on how the microstructures of the skin vary during the tissue optical clearing (TOC), we set up a sphere-cylinder birefringence model (SCBM) of the skin and carry on simulations corresponding to different TOC mechanisms. The good agreement between the experimental and simulated results confirm that Mueller matrix imaging combined with Monte Carlo simulation is potentially a powerful tool for revealing microscopic features of biological tissues.

A polarized atomic-beam target for COSY-Juelich

International Nuclear Information System (INIS)

Eversheim, P. D.; Altmeier, M.; Felden, O.; Glende, M.; Walker, M.; Hiemer, A.; Gebel, R.

1998-01-01

An atomic-beam target (ABT) for the EDDA experiment has been built in Bonn and was tested for the very first time at the cooler synchrotron COSY. The ABT differs from the polarized colliding-beams ion source for COSY in the DC-operation of the dissociator and the use of permanent 6-pole magnets. At present the beam optics of the ABT is set-up for maximum density in the interaction zone, but for target-cell operation it can be modified to give maximum intensity. The modular concept of this atomic ground-state target allows to provide all vector- (and tensor) polarizations for protons and deuterons, respectively. Up to now the polarization of the atomic-beam could be verified by the EDDA experiment to be > or approx. 80% with a density in the interaction zone of > or approx. 10 11 atoms/cm 2

Cyclotron spectra from inhomogeneous accretion columns. II. Polarization

International Nuclear Information System (INIS)

Wu, K.; Chanmugam, G.

1989-01-01

Circularly and linearly polarized radiation from inhomogeneous cyclotron emission regions with uniform magnetic field and temperature but different electron density profiles are studied. Calculations show that the inhomogeneous models generally produce larger polarization for low harmonics and smaller polarization for high harmonics compared to the homogeneous models. Polarization light curves for different inhomogeneous models with a wide variety of parameters are presented, providing handy theoretical results to compare with observations. The observed polarization light curves of ST LMi, EF Eri, and BL Hydri are fitted using an inhomogeneous model for the first time, and good fits are obtained, supporting the hypothesis that the cyclotron emission regions of AM Her systems have a complicated structure. 37 refs

Vector model for polarized second-harmonic generation microscopy under high numerical aperture

International Nuclear Information System (INIS)

Wang, Xiang-Hui; Chang, Sheng-Jiang; Lin, Lie; Wang, Lin-Rui; Huo, Bing-Zhong; Hao, Shu-Jian

2010-01-01

Based on the vector diffraction theory and the generalized Jones matrix formalism, a vector model for polarized second-harmonic generation (SHG) microscopy is developed, which includes the roles of the axial component P z , the weight factor and the cross-effect between the lateral components. The numerical results show that as the relative magnitude of P z increases, the polarization response of the second-harmonic signal will vary from linear polarization to elliptical polarization and the polarization orientation of the second-harmonic signal is different from that under the paraxial approximation. In addition, it is interesting that the polarization response of the detected second-harmonic signal can change with the value of the collimator lens NA. Therefore, it is more advantageous to adopt the vector model to investigate the property of polarized SHG microscopy for a variety of cases

Stable atomic hydrogen: Polarized atomic beam source

International Nuclear Information System (INIS)

Niinikoski, T.O.; Penttilae, S.; Rieubland, J.M.; Rijllart, A.

1984-01-01

We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

Polarized Neutron Scattering

OpenAIRE

Roessli, B.; Böni, P.

2000-01-01

The technique of polarized neutron scattering is reviewed with emphasis on applications. Many examples of the usefulness of the method in various fields of physics are given like the determination of spin density maps, measurement of complex magnetic structures with spherical neutron polarimetry, inelastic neutron scattering and separation of coherent and incoherent scattering with help of the generalized XYZ method.

Nonlinear electrodynamics and CMB polarization

Energy Technology Data Exchange (ETDEWEB)

Cuesta, Herman J. Mosquera [Departmento de Física Universidade Estadual Vale do Acaraú, Avenida da Universidade 850, Campus da Betânia, CEP 62.040-370, Sobral, Ceará (Brazil); Lambiase, G., E-mail: herman@icra.it, E-mail: lambiase@sa.infn.it [Dipartimento di Fisica ' ' E.R. Caianiello' ' , Università di Salerno, 84081 Baronissi (Italy)

2011-03-01

Recently WMAP and BOOMERanG experiments have set stringent constraints on the polarization angle of photons propagating in an expanding universe: Δα = (−2.4±1.9)°. The polarization of the Cosmic Microwave Background radiation (CMB) is reviewed in the context of nonlinear electrodynamics (NLED). We compute the polarization angle of photons propagating in a cosmological background with planar symmetry. For this purpose, we use the Pagels-Tomboulis (PT) Lagrangian density describing NLED, which has the form L ∼ (X/Λ{sup 4}){sup δ−1} X, where X = ¼F{sub αβ}F{sup αβ}, and δ the parameter featuring the non-Maxwellian character of the PT nonlinear description of the electromagnetic interaction. After looking at the polarization components in the plane orthogonal to the (x)-direction of propagation of the CMB photons, the polarization angle is defined in terms of the eccentricity of the universe, a geometrical property whose evolution on cosmic time (from the last scattering surface to the present) is constrained by the strength of magnetic fields over extragalactic distances.

Principal State Analysis for a Compact in-Line Fiber Polarization Controller

International Nuclear Information System (INIS)

Li Zheng-Yong; Wu Chong-Qing; Wang Zhi-Hao; Qin Tao; Wang Yi-Xu

2013-01-01

A compact in-line fiber-based polarization controller (FPC) made of a rotatable fiber squeezer is investigated in detail with the Mueller matrix model established based on the generalized principal state of polarization (PSP). The PSP caused by the fiber squeezing is in the equator plane, which turns around S 3 axis on the Poincaré sphere when rotating the squeezer. Subsequently, a programmable polarization control method is proposed to realize the polarization conversion between arbitrary polarization states, in which only two parameters of phase shift and rotation angle need to be controlled. This type of FPC, which has a highly compact structure, lower insertion loss, and can be directly embedded into any fiber devices without any extra delay, will be an ideal PC for high-speed optical communication and all-optical signal processing

Quantitatively differentiating microstructural variations of skeletal muscle tissues by multispectral Mueller matrix imaging

Science.gov (United States)

Dong, Yang; He, Honghui; He, Chao; Ma, Hui

2016-10-01

Polarized light is sensitive to the microstructures of biological tissues and can be used to detect physiological changes. Meanwhile, spectral features of the scattered light can also provide abundant microstructural information of tissues. In this paper, we take the backscattering polarization Mueller matrix images of bovine skeletal muscle tissues during the 24-hour experimental time, and analyze their multispectral behavior using quantitative Mueller matrix parameters. In the processes of rigor mortis and proteolysis of muscle samples, multispectral frequency distribution histograms (FDHs) of the Mueller matrix elements can reveal rich qualitative structural information. In addition, we analyze the temporal variations of the sample using the multispectral Mueller matrix transformation (MMT) parameters. The experimental results indicate that the different stages of rigor mortis and proteolysis for bovine skeletal muscle samples can be judged by these MMT parameters. The results presented in this work show that combining with the multispectral technique, the FDHs and MMT parameters can characterize the microstructural variation features of skeletal muscle tissues. The techniques have the potential to be used as tools for quantitative assessment of meat qualities in food industry.